diff --git a/README.md b/README.md index 909378ab4c169dceb209230db577087e76ea9e68..7a7fb62298e9c8dd8e53241bdf57441b135cc14a 100644 --- a/README.md +++ b/README.md @@ -18,7 +18,7 @@ configs: sep: "," default: true --- -# Ultra-large docking data: AmpC 96M compounds +# Ultra-large docking data: D4 receptor 115M compounds These data are from John J. Irwin, Bryan L. Roth, and Brian K. Shoichet's labs. They published it as: @@ -30,7 +30,7 @@ Epub 2019 Feb 6. PMID: [30728502](https://pubmed.ncbi.nlm.nih.gov/30728502/); PM ## Dataset Details -The compounds are represented as SMILES strings, and are annotated with ZINC IDs, heavy atom count (HAC), and DOCKscore. For convenience we have added molecuar weight, +The compounds are represented as SMILES strings, and are annotated with ZINC IDs, heavy atom count (HAC), and DOCKscore. For convenience we have added molecular weight, Crippen cLogP, and topological surface area as calculated by RDKit (using [schemist](https://github.com/scbirlab/schemist)). @@ -38,8 +38,8 @@ Crippen cLogP, and topological surface area as calculated by RDKit (using [schem -The authors of doi: [10.1038/s41586-019-0917-9](https://doi.org/10.1038/s41586-019-0917-9) carried out a massive dockign campaign to -see if increasing the numerb of compounds in virtual libraries would increase the number of docking hits that represent new active +The authors of doi: [10.1038/s41586-019-0917-9](https://doi.org/10.1038/s41586-019-0917-9) carried out a massive docking campaign to +see if increasing the number of compounds in virtual libraries would increase the number of docking hits that represent new active chemical scaffolds that validate in the wet lab. They docked libraries of ~100 million molecules to AmpC, a $\beta$-lactamase, and the D$_4$ dopamine receptor. **This dataset contains the diff --git a/chunked/d4-dock_000.csv.gz b/chunked/d4-dock_000.csv.gz index 1b96da147cf74b678b4a143294f2439c6c1d12a4..6303d85676fb055aab4641cfeefd885c9db88661 100644 --- a/chunked/d4-dock_000.csv.gz +++ b/chunked/d4-dock_000.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:1fbf7eece9634157d8c26fcf503749fc270219d7e3b41e816998d5eba3aba525 -size 36883772 +oid sha256:1d938c213024c4164e60d20427dffe2b8d7560d5ae2d7d68aa7610c8d495b6d0 +size 36883703 diff --git a/chunked/d4-dock_000.log b/chunked/d4-dock_000.log index ebaf69cd9082555a8d0082fc9d2c7c84ea02d9c9..df33d4dd9aefb8da2ce87c9e4ef9ac071d037543 100644 --- a/chunked/d4-dock_000.log +++ b/chunked/d4-dock_000.log @@ -10,13 +10,13 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: 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1.35s/it] 957it [21:26, 1.34s/it] 958it [21:27, 1.36s/it] 959it [21:28, 1.36s/it] 960it [21:30, 1.36s/it] 961it [21:31, 1.38s/it] 962it [21:33, 1.37s/it] 963it [21:34, 1.38s/it] 964it [21:35, 1.38s/it] 965it [21:37, 1.38s/it] 966it [21:38, 1.38s/it] 967it [21:39, 1.39s/it] 968it [21:41, 1.39s/it] 969it [21:42, 1.39s/it] 970it [21:44, 1.40s/it] 971it [21:45, 1.40s/it] 972it [21:46, 1.40s/it] 973it [21:48, 1.40s/it] 974it [21:49, 1.40s/it] 975it [21:51, 1.40s/it] 976it [21:52, 1.39s/it] 977it [21:53, 1.36s/it] 978it [21:55, 1.34s/it] 979it [21:56, 1.33s/it] 980it [21:57, 1.32s/it] 981it [21:59, 1.32s/it] 982it [22:00, 1.33s/it] 983it [22:01, 1.33s/it] 984it [22:03, 1.33s/it] 985it [22:04, 1.32s/it] 986it [22:05, 1.32s/it] 987it [22:06, 1.31s/it] 988it [22:08, 1.31s/it] 989it [22:09, 1.30s/it] 990it [22:10, 1.31s/it] 991it [22:12, 1.32s/it] 992it [22:13, 1.32s/it] 993it [22:14, 1.32s/it] 994it [22:16, 1.31s/it] 995it [22:17, 1.29s/it] 996it [22:18, 1.30s/it] 997it [22:20, 1.30s/it] 998it [22:21, 1.30s/it] 999it [22:22, 1.30s/it] 1000it [22:23, 1.31s/it] 1000it [22:23, 1.34s/it] Error counts: - id: 1 - smiles: 1 - scaffold: 1 - mwt: 1 - clogp: 1 - tpsa: 1 -⏰ Completed process in 0:22:30.151730 + id: 0 + smiles: 0 + scaffold: 0 + mwt: 0 + clogp: 0 + tpsa: 0 +⏰ Completed process in 0:22:24.420728 diff --git a/chunked/d4-dock_001.csv.gz b/chunked/d4-dock_001.csv.gz index 9440e34ea409df1cf990dda24c9ec2107498b8b7..bfb13f9869726670f9548e2a4df7c7c5bdaaad1b 100644 --- a/chunked/d4-dock_001.csv.gz +++ b/chunked/d4-dock_001.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:fab050670785795466d8ed548e379366a477dab3ee415efd9e08c8b38fa24e23 -size 33259263 +oid sha256:c4d755ee7699710961afa332f4b7f435d472e56cf3e97cc1de3a6f532f77a7f4 +size 33259276 diff --git a/chunked/d4-dock_001.log b/chunked/d4-dock_001.log index 48b53b1cd5e82a0251b647132e910a7f85601287..fb0c269f11581a93fb47c202576eb48782d12795 100644 --- a/chunked/d4-dock_001.log +++ b/chunked/d4-dock_001.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.35s/it] 2it [00:02, 1.33s/it] 3it [00:04, 1.34s/it] 4it [00:05, 1.34s/it] 5it [00:06, 1.35s/it] 6it [00:08, 1.35s/it] 7it [00:09, 1.35s/it] 8it [00:10, 1.34s/it] 9it [00:12, 1.35s/it] 10it [00:13, 1.33s/it] 11it [00:14, 1.32s/it] 12it [00:16, 1.33s/it] 13it [00:17, 1.34s/it] 14it [00:18, 1.36s/it] 15it [00:20, 1.38s/it] 16it [00:21, 1.37s/it] 17it [00:22, 1.36s/it] 18it [00:24, 1.36s/it] 19it [00:25, 1.36s/it] 20it [00:26, 1.35s/it] 21it [00:28, 1.35s/it] 22it [00:29, 1.34s/it] 23it [00:30, 1.34s/it] 24it [00:32, 1.33s/it] 25it [00:33, 1.34s/it] 26it [00:35, 1.35s/it] 27it [00:36, 1.34s/it] 28it [00:37, 1.34s/it] 29it [00:39, 1.35s/it] 30it [00:40, 1.34s/it] 31it [00:41, 1.35s/it] 32it [00:43, 1.35s/it] 33it [00:44, 1.36s/it] 34it [00:45, 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1.18s/it] 742it [16:34, 1.21s/it] 743it [16:35, 1.25s/it] 744it [16:37, 1.27s/it] 745it [16:38, 1.25s/it] 746it [16:39, 1.26s/it] 747it [16:40, 1.25s/it] 748it [16:42, 1.27s/it] 749it [16:43, 1.31s/it] 750it [16:44, 1.32s/it] 751it [16:46, 1.32s/it] 752it [16:47, 1.31s/it] 753it [16:48, 1.25s/it] 754it [16:49, 1.24s/it] 755it [16:51, 1.23s/it] 756it [16:52, 1.25s/it] 757it [16:53, 1.23s/it] 758it [16:54, 1.21s/it] 759it [16:55, 1.21s/it] 760it [16:57, 1.26s/it] 761it [16:58, 1.28s/it] 762it [16:59, 1.29s/it] 763it [17:01, 1.30s/it] 764it [17:02, 1.28s/it] 765it [17:03, 1.28s/it] 766it [17:05, 1.27s/it] 767it [17:06, 1.25s/it] 768it [17:07, 1.26s/it] 769it [17:08, 1.24s/it] 770it [17:09, 1.24s/it] 771it [17:11, 1.23s/it] 772it [17:12, 1.21s/it] 773it [17:13, 1.19s/it] 774it [17:14, 1.19s/it] 775it [17:15, 1.19s/it] 776it [17:17, 1.24s/it] 777it [17:18, 1.29s/it] 778it [17:19, 1.32s/it] 779it [17:21, 1.33s/it] 780it [17:22, 1.32s/it] 781it [17:23, 1.32s/it] 782it [17:25, 1.29s/it] 783it [17:26, 1.32s/it] 784it [17:27, 1.34s/it] 785it [17:29, 1.35s/it] 786it [17:30, 1.35s/it] 787it [17:32, 1.35s/it] 788it [17:33, 1.34s/it] 789it [17:34, 1.35s/it] 790it [17:36, 1.33s/it] 791it [17:37, 1.34s/it] 792it [17:38, 1.32s/it] 793it [17:39, 1.30s/it] 794it [17:41, 1.28s/it] 795it [17:42, 1.26s/it] 796it [17:43, 1.24s/it] 797it [17:44, 1.23s/it] 798it [17:45, 1.23s/it] 799it [17:47, 1.22s/it] 800it [17:48, 1.22s/it] 801it [17:49, 1.20s/it] 802it [17:50, 1.21s/it] 803it [17:51, 1.19s/it] 804it [17:53, 1.18s/it] 805it [17:54, 1.18s/it] 806it [17:55, 1.18s/it] 807it [17:56, 1.18s/it] 808it [17:57, 1.18s/it] 809it [17:58, 1.18s/it] 810it [18:00, 1.18s/it] 811it [18:01, 1.19s/it] 812it [18:02, 1.19s/it] 813it [18:03, 1.20s/it] 814it [18:04, 1.20s/it] 815it [18:06, 1.18s/it] 816it [18:07, 1.19s/it] 817it [18:08, 1.20s/it] 818it [18:09, 1.19s/it] 819it [18:10, 1.19s/it] 820it [18:12, 1.19s/it] 821it [18:13, 1.18s/it] 822it [18:14, 1.18s/it] 823it [18:15, 1.19s/it] 824it [18:16, 1.20s/it] 825it [18:18, 1.21s/it] 826it [18:19, 1.20s/it] 827it [18:20, 1.21s/it] 828it [18:21, 1.20s/it] 829it [18:22, 1.19s/it] 830it [18:23, 1.18s/it] 831it [18:25, 1.18s/it] 832it [18:26, 1.17s/it] 833it [18:27, 1.17s/it] 834it [18:28, 1.17s/it] 835it [18:29, 1.19s/it] 836it [18:31, 1.19s/it] 837it [18:32, 1.19s/it] 838it [18:33, 1.19s/it] 839it [18:34, 1.19s/it] 840it [18:35, 1.18s/it] 841it [18:36, 1.18s/it] 842it [18:38, 1.17s/it] 843it [18:39, 1.17s/it] 844it [18:40, 1.18s/it] 845it [18:41, 1.18s/it] 846it [18:42, 1.19s/it] 847it [18:44, 1.19s/it] 848it [18:45, 1.17s/it] 849it [18:46, 1.17s/it] 850it [18:47, 1.18s/it] 851it [18:48, 1.18s/it] 852it [18:49, 1.17s/it] 853it [18:51, 1.20s/it] 854it [18:52, 1.22s/it] 855it [18:53, 1.23s/it] 856it [18:54, 1.21s/it] 857it [18:56, 1.21s/it] 858it [18:57, 1.20s/it] 859it [18:58, 1.20s/it] 860it [18:59, 1.20s/it] 861it [19:00, 1.19s/it] 862it [19:01, 1.19s/it] 863it [19:03, 1.19s/it] 864it [19:04, 1.19s/it] 865it [19:05, 1.18s/it] 866it [19:06, 1.17s/it] 867it [19:07, 1.17s/it] 868it [19:09, 1.17s/it] 869it [19:10, 1.17s/it] 870it [19:11, 1.17s/it] 871it [19:12, 1.17s/it] 872it [19:13, 1.17s/it] 873it [19:14, 1.18s/it] 874it [19:16, 1.19s/it] 875it [19:17, 1.20s/it] 876it [19:18, 1.19s/it] 877it [19:19, 1.18s/it] 878it [19:20, 1.18s/it] 879it [19:22, 1.17s/it] 880it [19:23, 1.17s/it] 881it [19:24, 1.18s/it] 882it [19:25, 1.19s/it] 883it [19:26, 1.18s/it] 884it [19:27, 1.15s/it] 885it [19:29, 1.17s/it] 886it [19:30, 1.16s/it] 887it [19:31, 1.16s/it] 888it [19:32, 1.16s/it] 889it [19:33, 1.17s/it] 890it [19:34, 1.17s/it] 891it [19:36, 1.16s/it] 892it [19:37, 1.16s/it] 893it [19:38, 1.16s/it] 894it [19:39, 1.17s/it] 895it [19:40, 1.17s/it] 896it [19:41, 1.17s/it] 897it [19:43, 1.17s/it] 898it [19:44, 1.16s/it] 899it [19:45, 1.17s/it] 900it [19:46, 1.15s/it] 901it [19:47, 1.14s/it] 902it [19:48, 1.13s/it] 903it [19:49, 1.14s/it] 904it [19:51, 1.16s/it] 905it [19:52, 1.17s/it] 906it [19:53, 1.16s/it] 907it [19:54, 1.15s/it] 908it [19:55, 1.16s/it] 909it [19:56, 1.16s/it] 910it [19:58, 1.17s/it] 911it [19:59, 1.16s/it] 912it [20:00, 1.16s/it] 913it [20:01, 1.16s/it] 914it [20:02, 1.19s/it] 915it [20:04, 1.22s/it] 916it [20:05, 1.26s/it] 917it [20:06, 1.30s/it] 918it [20:07, 1.26s/it] 919it [20:09, 1.29s/it] 920it [20:10, 1.27s/it] 921it [20:11, 1.30s/it] 922it [20:13, 1.32s/it] 923it [20:14, 1.32s/it] 924it [20:15, 1.34s/it] 925it [20:17, 1.34s/it] 926it [20:18, 1.35s/it] 927it [20:20, 1.34s/it] 928it [20:21, 1.32s/it] 929it [20:22, 1.30s/it] 930it [20:23, 1.31s/it] 931it [20:25, 1.33s/it] 932it [20:26, 1.34s/it] 933it [20:27, 1.33s/it] 934it [20:29, 1.31s/it] 935it [20:30, 1.29s/it] 936it [20:31, 1.27s/it] 937it [20:32, 1.29s/it] 938it [20:34, 1.31s/it] 939it [20:35, 1.32s/it] 940it [20:37, 1.34s/it] 941it [20:38, 1.34s/it] 942it [20:39, 1.35s/it] 943it [20:41, 1.34s/it] 944it [20:42, 1.35s/it] 945it [20:43, 1.33s/it] 946it [20:45, 1.33s/it] 947it [20:46, 1.32s/it] 948it [20:47, 1.33s/it] 949it [20:49, 1.35s/it] 950it [20:50, 1.36s/it] 951it [20:51, 1.38s/it] 952it [20:53, 1.37s/it] 953it [20:54, 1.34s/it] 954it [20:55, 1.31s/it] 955it [20:57, 1.28s/it] 956it [20:58, 1.25s/it] 957it [20:59, 1.25s/it] 958it [21:00, 1.30s/it] 959it [21:02, 1.32s/it] 960it [21:03, 1.30s/it] 961it [21:04, 1.26s/it] 962it [21:05, 1.24s/it] 963it [21:07, 1.27s/it] 964it [21:08, 1.24s/it] 965it [21:09, 1.23s/it] 966it [21:10, 1.22s/it] 967it [21:11, 1.21s/it] 968it [21:13, 1.20s/it] 969it [21:14, 1.21s/it] 970it [21:15, 1.23s/it] 971it [21:16, 1.24s/it] 972it [21:18, 1.26s/it] 973it [21:19, 1.29s/it] 974it [21:20, 1.30s/it] 975it [21:22, 1.32s/it] 976it [21:23, 1.33s/it] 977it [21:24, 1.30s/it] 978it [21:26, 1.31s/it] 979it [21:27, 1.32s/it] 980it [21:28, 1.29s/it] 981it [21:29, 1.27s/it] 982it [21:31, 1.29s/it] 983it [21:32, 1.31s/it] 984it [21:33, 1.29s/it] 985it [21:35, 1.30s/it] 986it [21:36, 1.28s/it] 987it [21:37, 1.28s/it] 988it [21:39, 1.28s/it] 989it [21:40, 1.29s/it] 990it [21:41, 1.30s/it] 991it [21:43, 1.31s/it] 992it [21:44, 1.31s/it] 993it [21:45, 1.31s/it] 994it [21:46, 1.33s/it] 995it [21:48, 1.31s/it] 996it [21:49, 1.26s/it] 997it [21:50, 1.25s/it] 998it [21:51, 1.25s/it] 999it [21:53, 1.24s/it] 1000it [21:54, 1.25s/it] 1000it [21:54, 1.31s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:21:46.451323 +⏰ Completed process in 0:21:54.886159 diff --git a/chunked/d4-dock_002.csv.gz b/chunked/d4-dock_002.csv.gz index 3967f71c386e3e68db6268069ccc5b7ea6b67fdf..2210dca1f8d2cec9ddc69f2c6de05818cc009fd5 100644 --- a/chunked/d4-dock_002.csv.gz +++ b/chunked/d4-dock_002.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:663ac4ef0791b88ad1002f8deec97872b2e979f59e5487c4d4ee083ad9ff1a74 -size 31300140 +oid sha256:8ff30d6a93b825ba35fe33fb1c949154db30aaae2bf542caccaff26c611a5278 +size 31300173 diff --git a/chunked/d4-dock_002.log b/chunked/d4-dock_002.log index f566144e5f8c8641250894ba2ba74ff0f9c287f3..770b406b92499e8f8ca59869a662abfacdf44857 100644 --- a/chunked/d4-dock_002.log +++ b/chunked/d4-dock_002.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.22s/it] 2it [00:02, 1.19s/it] 3it [00:03, 1.22s/it] 4it [00:04, 1.20s/it] 5it [00:06, 1.21s/it] 6it [00:07, 1.21s/it] 7it [00:08, 1.21s/it] 8it [00:09, 1.22s/it] 9it [00:10, 1.21s/it] 10it [00:12, 1.22s/it] 11it [00:13, 1.22s/it] 12it [00:14, 1.22s/it] 13it [00:15, 1.21s/it] 14it [00:16, 1.21s/it] 15it [00:18, 1.20s/it] 16it [00:19, 1.20s/it] 17it [00:20, 1.18s/it] 18it [00:21, 1.20s/it] 19it [00:22, 1.22s/it] 20it [00:24, 1.24s/it] 21it [00:25, 1.24s/it] 22it [00:26, 1.27s/it] 23it [00:28, 1.28s/it] 24it [00:29, 1.29s/it] 25it [00:30, 1.31s/it] 26it [00:32, 1.31s/it] 27it [00:33, 1.29s/it] 28it [00:34, 1.30s/it] 29it [00:35, 1.30s/it] 30it [00:37, 1.29s/it] 31it [00:38, 1.29s/it] 32it [00:39, 1.31s/it] 33it [00:41, 1.33s/it] 34it [00:42, 1.33s/it] 35it [00:43, 1.31s/it] 36it [00:45, 1.31s/it] 37it [00:46, 1.30s/it] 38it [00:47, 1.32s/it] 39it [00:49, 1.30s/it] 40it [00:50, 1.31s/it] 41it [00:51, 1.32s/it] 42it [00:53, 1.32s/it] 43it [00:54, 1.30s/it] 44it [00:55, 1.32s/it] 45it [00:56, 1.31s/it] 46it [00:58, 1.31s/it] 47it [00:59, 1.31s/it] 48it [01:00, 1.30s/it] 49it [01:02, 1.31s/it] 50it [01:03, 1.30s/it] 51it [01:04, 1.30s/it] 52it [01:06, 1.28s/it] 53it [01:07, 1.30s/it] 54it [01:08, 1.29s/it] 55it [01:09, 1.29s/it] 56it [01:11, 1.29s/it] 57it [01:12, 1.30s/it] 58it [01:13, 1.29s/it] 59it [01:15, 1.29s/it] 60it [01:16, 1.28s/it] 61it [01:17, 1.30s/it] 62it [01:18, 1.30s/it] 63it [01:20, 1.32s/it] 64it [01:21, 1.30s/it] 65it [01:22, 1.31s/it] 66it [01:24, 1.32s/it] 67it [01:25, 1.30s/it] 68it [01:26, 1.30s/it] 69it [01:28, 1.31s/it] 70it [01:29, 1.31s/it] 71it [01:30, 1.32s/it] 72it [01:32, 1.30s/it] 73it [01:33, 1.32s/it] 74it [01:34, 1.33s/it] 75it [01:36, 1.33s/it] 76it [01:37, 1.34s/it] 77it [01:38, 1.34s/it] 78it [01:40, 1.35s/it] 79it [01:41, 1.34s/it] 80it [01:42, 1.34s/it] 81it [01:44, 1.34s/it] 82it [01:45, 1.34s/it] 83it [01:46, 1.32s/it] 84it [01:48, 1.31s/it] 85it [01:49, 1.30s/it] 86it [01:50, 1.29s/it] 87it [01:51, 1.31s/it] 88it [01:53, 1.31s/it] 89it [01:54, 1.31s/it] 90it [01:55, 1.31s/it] 91it [01:57, 1.32s/it] 92it [01:58, 1.33s/it] 93it [01:59, 1.33s/it] 94it [02:01, 1.33s/it] 95it [02:02, 1.33s/it] 96it [02:03, 1.34s/it] 97it [02:05, 1.34s/it] 98it [02:06, 1.35s/it] 99it [02:08, 1.35s/it] 100it [02:09, 1.34s/it] 101it [02:10, 1.35s/it] 102it [02:12, 1.34s/it] 103it [02:13, 1.34s/it] 104it [02:14, 1.33s/it] 105it [02:16, 1.32s/it] 106it [02:17, 1.32s/it] 107it [02:18, 1.32s/it] 108it [02:19, 1.32s/it] 109it [02:21, 1.30s/it] 110it [02:22, 1.29s/it] 111it [02:23, 1.30s/it] 112it [02:25, 1.28s/it] 113it [02:26, 1.27s/it] 114it [02:27, 1.26s/it] 115it 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[20:23, 1.21s/it] 944it [20:25, 1.23s/it] 945it [20:26, 1.22s/it] 946it [20:27, 1.25s/it] 947it [20:28, 1.24s/it] 948it [20:30, 1.21s/it] 949it [20:31, 1.20s/it] 950it [20:32, 1.19s/it] 951it [20:33, 1.18s/it] 952it [20:34, 1.18s/it] 953it [20:35, 1.18s/it] 954it [20:37, 1.19s/it] 955it [20:38, 1.19s/it] 956it [20:39, 1.20s/it] 957it [20:40, 1.20s/it] 958it [20:42, 1.21s/it] 959it [20:43, 1.21s/it] 960it [20:44, 1.21s/it] 961it [20:45, 1.22s/it] 962it [20:46, 1.21s/it] 963it [20:48, 1.21s/it] 964it [20:49, 1.19s/it] 965it [20:50, 1.21s/it] 966it [20:51, 1.26s/it] 967it [20:52, 1.21s/it] 968it [20:54, 1.19s/it] 969it [20:55, 1.19s/it] 970it [20:56, 1.19s/it] 971it [20:57, 1.21s/it] 972it [20:59, 1.24s/it] 973it [21:00, 1.27s/it] 974it [21:01, 1.28s/it] 975it [21:02, 1.28s/it] 976it [21:04, 1.29s/it] 977it [21:05, 1.30s/it] 978it [21:06, 1.31s/it] 979it [21:08, 1.28s/it] 980it [21:09, 1.29s/it] 981it [21:10, 1.29s/it] 982it [21:11, 1.25s/it] 983it [21:13, 1.22s/it] 984it [21:14, 1.20s/it] 985it [21:15, 1.21s/it] 986it [21:16, 1.21s/it] 987it [21:17, 1.24s/it] 988it [21:19, 1.24s/it] 989it [21:20, 1.25s/it] 990it [21:21, 1.23s/it] 991it [21:22, 1.24s/it] 992it [21:24, 1.25s/it] 993it [21:25, 1.27s/it] 994it [21:26, 1.27s/it] 995it [21:28, 1.29s/it] 996it [21:29, 1.30s/it] 997it [21:30, 1.28s/it] 998it [21:31, 1.25s/it] 999it [21:32, 1.21s/it] 1000it [21:34, 1.20s/it] 1000it [21:34, 1.29s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:21:27.089338 +⏰ Completed process in 0:21:34.585908 diff --git a/chunked/d4-dock_003.csv.gz b/chunked/d4-dock_003.csv.gz index 715ecc4212d292949f65842f645413dde6c805d3..8307de2b56f849363578beaa6685d91a7c250778 100644 --- a/chunked/d4-dock_003.csv.gz +++ b/chunked/d4-dock_003.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:1deec28e48b6f0ce2b2b9a0f6ed6e886d59a47bab8090504120aa21f8b7bb9d7 -size 32727854 +oid sha256:01518b5a70ee0dfe1c433736af3721170277a1a5317b49f4dec3b84f5434329b +size 32727855 diff --git a/chunked/d4-dock_003.log b/chunked/d4-dock_003.log index 2c3299522fc121c2a76484923c23080b6b2a9462..3ab9c2ffc5e1be8458d8acc3a355ad7647f0545d 100644 --- a/chunked/d4-dock_003.log +++ b/chunked/d4-dock_003.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.39s/it] 2it [00:02, 1.34s/it] 3it [00:03, 1.31s/it] 4it [00:05, 1.31s/it] 5it [00:06, 1.31s/it] 6it [00:07, 1.32s/it] 7it [00:09, 1.33s/it] 8it [00:10, 1.31s/it] 9it [00:11, 1.31s/it] 10it [00:13, 1.31s/it] 11it [00:14, 1.28s/it] 12it [00:15, 1.29s/it] 13it [00:16, 1.26s/it] 14it [00:18, 1.25s/it] 15it [00:19, 1.25s/it] 16it [00:20, 1.25s/it] 17it [00:21, 1.28s/it] 18it [00:23, 1.31s/it] 19it [00:24, 1.30s/it] 20it [00:25, 1.29s/it] 21it [00:27, 1.31s/it] 22it [00:28, 1.29s/it] 23it [00:29, 1.29s/it] 24it [00:31, 1.29s/it] 25it [00:32, 1.30s/it] 26it [00:33, 1.29s/it] 27it [00:34, 1.30s/it] 28it [00:36, 1.31s/it] 29it [00:37, 1.30s/it] 30it [00:38, 1.29s/it] 31it [00:40, 1.29s/it] 32it [00:41, 1.29s/it] 33it [00:42, 1.30s/it] 34it [00:44, 1.32s/it] 35it [00:45, 1.34s/it] 36it [00:46, 1.36s/it] 37it [00:48, 1.35s/it] 38it [00:49, 1.34s/it] 39it [00:50, 1.34s/it] 40it [00:52, 1.35s/it] 41it [00:53, 1.35s/it] 42it [00:54, 1.35s/it] 43it [00:56, 1.34s/it] 44it [00:57, 1.35s/it] 45it [00:58, 1.34s/it] 46it [01:00, 1.35s/it] 47it [01:01, 1.33s/it] 48it [01:02, 1.32s/it] 49it [01:04, 1.31s/it] 50it [01:05, 1.31s/it] 51it [01:06, 1.33s/it] 52it [01:08, 1.32s/it] 53it [01:09, 1.34s/it] 54it [01:10, 1.32s/it] 55it [01:12, 1.33s/it] 56it [01:13, 1.34s/it] 57it [01:14, 1.34s/it] 58it [01:16, 1.35s/it] 59it [01:17, 1.35s/it] 60it [01:18, 1.34s/it] 61it [01:20, 1.32s/it] 62it [01:21, 1.34s/it] 63it [01:23, 1.36s/it] 64it [01:24, 1.36s/it] 65it [01:25, 1.36s/it] 66it [01:27, 1.37s/it] 67it [01:28, 1.38s/it] 68it [01:29, 1.37s/it] 69it [01:31, 1.37s/it] 70it [01:32, 1.36s/it] 71it [01:33, 1.35s/it] 72it [01:35, 1.35s/it] 73it [01:36, 1.36s/it] 74it [01:38, 1.37s/it] 75it [01:39, 1.37s/it] 76it [01:40, 1.35s/it] 77it [01:42, 1.34s/it] 78it [01:43, 1.34s/it] 79it [01:44, 1.35s/it] 80it [01:46, 1.34s/it] 81it [01:47, 1.34s/it] 82it [01:48, 1.32s/it] 83it [01:50, 1.33s/it] 84it [01:51, 1.33s/it] 85it [01:52, 1.32s/it] 86it [01:53, 1.31s/it] 87it [01:55, 1.32s/it] 88it [01:56, 1.33s/it] 89it [01:58, 1.34s/it] 90it [01:59, 1.31s/it] 91it [02:00, 1.30s/it] 92it [02:01, 1.32s/it] 93it [02:03, 1.29s/it] 94it [02:04, 1.30s/it] 95it [02:05, 1.25s/it] 96it [02:06, 1.24s/it] 97it [02:08, 1.27s/it] 98it [02:09, 1.30s/it] 99it [02:10, 1.27s/it] 100it [02:11, 1.26s/it] 101it [02:13, 1.27s/it] 102it [02:14, 1.26s/it] 103it [02:15, 1.26s/it] 104it [02:17, 1.29s/it] 105it [02:18, 1.30s/it] 106it [02:19, 1.29s/it] 107it [02:21, 1.30s/it] 108it [02:22, 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[20:40, 1.32s/it] 938it [20:41, 1.31s/it] 939it [20:43, 1.31s/it] 940it [20:44, 1.32s/it] 941it [20:45, 1.29s/it] 942it [20:46, 1.28s/it] 943it [20:48, 1.26s/it] 944it [20:49, 1.23s/it] 945it [20:50, 1.22s/it] 946it [20:51, 1.19s/it] 947it [20:52, 1.20s/it] 948it [20:54, 1.22s/it] 949it [20:55, 1.23s/it] 950it [20:56, 1.27s/it] 951it [20:58, 1.26s/it] 952it [20:59, 1.25s/it] 953it [21:00, 1.25s/it] 954it [21:01, 1.26s/it] 955it [21:02, 1.25s/it] 956it [21:04, 1.23s/it] 957it [21:05, 1.22s/it] 958it [21:06, 1.20s/it] 959it [21:07, 1.17s/it] 960it [21:08, 1.18s/it] 961it [21:10, 1.22s/it] 962it [21:11, 1.21s/it] 963it [21:12, 1.24s/it] 964it [21:14, 1.28s/it] 965it [21:15, 1.27s/it] 966it [21:16, 1.23s/it] 967it [21:17, 1.21s/it] 968it [21:18, 1.19s/it] 969it [21:19, 1.20s/it] 970it [21:21, 1.19s/it] 971it [21:22, 1.21s/it] 972it [21:23, 1.22s/it] 973it [21:24, 1.25s/it] 974it [21:26, 1.28s/it] 975it [21:27, 1.29s/it] 976it [21:28, 1.30s/it] 977it [21:30, 1.32s/it] 978it [21:31, 1.31s/it] 979it [21:32, 1.31s/it] 980it [21:34, 1.31s/it] 981it [21:35, 1.32s/it] 982it [21:36, 1.33s/it] 983it [21:38, 1.33s/it] 984it [21:39, 1.32s/it] 985it [21:40, 1.32s/it] 986it [21:42, 1.31s/it] 987it [21:43, 1.31s/it] 988it [21:44, 1.31s/it] 989it [21:46, 1.30s/it] 990it [21:47, 1.31s/it] 991it [21:48, 1.32s/it] 992it [21:50, 1.32s/it] 993it [21:51, 1.30s/it] 994it [21:52, 1.31s/it] 995it [21:53, 1.31s/it] 996it [21:55, 1.32s/it] 997it [21:56, 1.32s/it] 998it [21:57, 1.31s/it] 999it [21:59, 1.30s/it] 1000it [22:00, 1.30s/it] 1000it [22:00, 1.32s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:26.164630 +⏰ Completed process in 0:22:01.054246 diff --git a/chunked/d4-dock_004.csv.gz b/chunked/d4-dock_004.csv.gz index 70543c2ecf4f479d987d6d7821e6871beacc0fe7..da048042e0f6bab4eef1c88e9ddba8541f31e521 100644 --- a/chunked/d4-dock_004.csv.gz +++ b/chunked/d4-dock_004.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:58292b20ef6d44ce27aee92a80e2384a775611b9dbf7c8a53566dc561c489666 -size 33145400 +oid sha256:877e682f161fceb26e85d7a80054f5f8e23be5ca5365217e9881d1597d22aa76 +size 33145403 diff --git a/chunked/d4-dock_004.log b/chunked/d4-dock_004.log index beea4cacfee488bea25848de8ed13cb965f4fbb0..0d8eaf1ee1e1051cc5cd70a64d56425bd98608d7 100644 --- a/chunked/d4-dock_004.log +++ b/chunked/d4-dock_004.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.36s/it] 2it [00:02, 1.34s/it] 3it [00:04, 1.35s/it] 4it [00:05, 1.35s/it] 5it [00:06, 1.36s/it] 6it [00:08, 1.36s/it] 7it [00:09, 1.37s/it] 8it [00:10, 1.36s/it] 9it [00:12, 1.35s/it] 10it [00:13, 1.33s/it] 11it [00:14, 1.32s/it] 12it [00:16, 1.30s/it] 13it [00:17, 1.31s/it] 14it [00:18, 1.31s/it] 15it [00:19, 1.31s/it] 16it [00:21, 1.33s/it] 17it [00:22, 1.34s/it] 18it [00:24, 1.35s/it] 19it [00:25, 1.36s/it] 20it [00:26, 1.37s/it] 21it [00:28, 1.37s/it] 22it [00:29, 1.36s/it] 23it [00:30, 1.36s/it] 24it [00:32, 1.36s/it] 25it [00:33, 1.36s/it] 26it [00:35, 1.36s/it] 27it [00:36, 1.37s/it] 28it [00:37, 1.36s/it] 29it [00:39, 1.35s/it] 30it [00:40, 1.35s/it] 31it [00:41, 1.37s/it] 32it [00:43, 1.36s/it] 33it [00:44, 1.35s/it] 34it [00:45, 1.33s/it] 35it [00:47, 1.33s/it] 36it [00:48, 1.34s/it] 37it [00:49, 1.35s/it] 38it [00:51, 1.36s/it] 39it [00:52, 1.36s/it] 40it [00:53, 1.36s/it] 41it [00:55, 1.36s/it] 42it [00:56, 1.35s/it] 43it [00:58, 1.35s/it] 44it [00:59, 1.36s/it] 45it [01:00, 1.37s/it] 46it [01:02, 1.37s/it] 47it [01:03, 1.36s/it] 48it [01:04, 1.35s/it] 49it [01:06, 1.35s/it] 50it [01:07, 1.35s/it] 51it [01:08, 1.35s/it] 52it [01:10, 1.36s/it] 53it [01:11, 1.35s/it] 54it [01:12, 1.33s/it] 55it [01:14, 1.32s/it] 56it [01:15, 1.30s/it] 57it [01:16, 1.30s/it] 58it [01:18, 1.31s/it] 59it [01:19, 1.32s/it] 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1.34s/it] 973it [21:53, 1.33s/it] 974it [21:54, 1.36s/it] 975it [21:56, 1.36s/it] 976it [21:57, 1.37s/it] 977it [21:58, 1.36s/it] 978it [22:00, 1.35s/it] 979it [22:01, 1.34s/it] 980it [22:02, 1.35s/it] 981it [22:04, 1.37s/it] 982it [22:05, 1.38s/it] 983it [22:07, 1.37s/it] 984it [22:08, 1.38s/it] 985it [22:09, 1.38s/it] 986it [22:11, 1.38s/it] 987it [22:12, 1.38s/it] 988it [22:13, 1.39s/it] 989it [22:15, 1.39s/it] 990it [22:16, 1.37s/it] 991it [22:18, 1.37s/it] 992it [22:19, 1.37s/it] 993it [22:20, 1.36s/it] 994it [22:22, 1.37s/it] 995it [22:23, 1.36s/it] 996it [22:24, 1.36s/it] 997it [22:26, 1.36s/it] 998it [22:27, 1.35s/it] 999it [22:28, 1.36s/it] 1000it [22:30, 1.35s/it] 1000it [22:30, 1.35s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:30.271494 +⏰ Completed process in 0:22:30.887225 diff --git a/chunked/d4-dock_005.csv.gz b/chunked/d4-dock_005.csv.gz index fdb40e517e2f3a71a6e70cef1b23b5678ac18878..24a6beb4f6686b2ed06c447774fa269d65be4116 100644 --- a/chunked/d4-dock_005.csv.gz +++ b/chunked/d4-dock_005.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:14d2024711a4b7e4f92c08a15f9e86bd071f44cdef5d967b919f46084bf2b99e -size 31891519 +oid sha256:881fe2ca06105768eea1424cbb587f32db0705b37ecec1e47cc649d5bf4ef015 +size 31891510 diff --git a/chunked/d4-dock_005.log b/chunked/d4-dock_005.log index f1965663ff732cb044dfecc39088c49f43eed572..c84e3d6894646060e778ee17b059bdca5e18986d 100644 --- a/chunked/d4-dock_005.log +++ b/chunked/d4-dock_005.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.37s/it] 2it [00:02, 1.37s/it] 3it [00:04, 1.38s/it] 4it [00:05, 1.37s/it] 5it [00:06, 1.38s/it] 6it [00:08, 1.37s/it] 7it [00:09, 1.37s/it] 8it [00:11, 1.38s/it] 9it [00:12, 1.38s/it] 10it [00:13, 1.38s/it] 11it [00:15, 1.38s/it] 12it [00:16, 1.38s/it] 13it [00:17, 1.36s/it] 14it [00:19, 1.36s/it] 15it [00:20, 1.35s/it] 16it [00:21, 1.35s/it] 17it [00:23, 1.35s/it] 18it [00:24, 1.36s/it] 19it [00:25, 1.36s/it] 20it [00:27, 1.36s/it] 21it [00:28, 1.35s/it] 22it [00:30, 1.35s/it] 23it [00:31, 1.35s/it] 24it [00:32, 1.35s/it] 25it [00:34, 1.35s/it] 26it [00:35, 1.34s/it] 27it [00:36, 1.34s/it] 28it [00:38, 1.35s/it] 29it [00:39, 1.34s/it] 30it [00:40, 1.33s/it] 31it [00:42, 1.33s/it] 32it [00:43, 1.34s/it] 33it [00:44, 1.34s/it] 34it [00:46, 1.35s/it] 35it [00:47, 1.35s/it] 36it [00:48, 1.35s/it] 37it [00:50, 1.35s/it] 38it [00:51, 1.34s/it] 39it [00:52, 1.33s/it] 40it [00:54, 1.33s/it] 41it [00:55, 1.33s/it] 42it [00:56, 1.33s/it] 43it [00:58, 1.34s/it] 44it [00:59, 1.37s/it] 45it [01:01, 1.40s/it] 46it [01:02, 1.40s/it] 47it [01:03, 1.41s/it] 48it [01:05, 1.42s/it] 49it [01:06, 1.43s/it] 50it [01:08, 1.43s/it] 51it [01:09, 1.43s/it] 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1.36s/it] 800it [18:03, 1.38s/it] 801it [18:05, 1.39s/it] 802it [18:06, 1.39s/it] 803it [18:08, 1.39s/it] 804it [18:09, 1.39s/it] 805it [18:10, 1.40s/it] 806it [18:12, 1.40s/it] 807it [18:13, 1.39s/it] 808it [18:14, 1.38s/it] 809it [18:16, 1.38s/it] 810it [18:17, 1.39s/it] 811it [18:19, 1.36s/it] 812it [18:20, 1.36s/it] 813it [18:21, 1.36s/it] 814it [18:23, 1.38s/it] 815it [18:24, 1.37s/it] 816it [18:25, 1.37s/it] 817it [18:27, 1.35s/it] 818it [18:28, 1.36s/it] 819it [18:29, 1.37s/it] 820it [18:31, 1.38s/it] 821it [18:32, 1.38s/it] 822it [18:34, 1.38s/it] 823it [18:35, 1.39s/it] 824it [18:36, 1.40s/it] 825it [18:38, 1.39s/it] 826it [18:39, 1.37s/it] 827it [18:41, 1.39s/it] 828it [18:42, 1.38s/it] 829it [18:43, 1.36s/it] 830it [18:45, 1.36s/it] 831it [18:46, 1.36s/it] 832it [18:47, 1.36s/it] 833it [18:49, 1.36s/it] 834it [18:50, 1.36s/it] 835it [18:51, 1.36s/it] 836it [18:53, 1.36s/it] 837it [18:54, 1.35s/it] 838it [18:55, 1.34s/it] 839it [18:57, 1.35s/it] 840it [18:58, 1.35s/it] 841it [19:00, 1.36s/it] 842it [19:01, 1.34s/it] 843it [19:02, 1.33s/it] 844it [19:03, 1.32s/it] 845it [19:05, 1.32s/it] 846it [19:06, 1.33s/it] 847it [19:07, 1.34s/it] 848it [19:09, 1.36s/it] 849it [19:10, 1.35s/it] 850it [19:12, 1.35s/it] 851it [19:13, 1.36s/it] 852it [19:14, 1.36s/it] 853it [19:16, 1.36s/it] 854it [19:17, 1.33s/it] 855it [19:18, 1.34s/it] 856it [19:20, 1.35s/it] 857it [19:21, 1.35s/it] 858it [19:22, 1.36s/it] 859it [19:24, 1.37s/it] 860it [19:25, 1.38s/it] 861it [19:27, 1.38s/it] 862it [19:28, 1.37s/it] 863it [19:29, 1.36s/it] 864it [19:31, 1.36s/it] 865it [19:32, 1.36s/it] 866it [19:33, 1.37s/it] 867it [19:35, 1.38s/it] 868it [19:36, 1.39s/it] 869it [19:38, 1.40s/it] 870it [19:39, 1.40s/it] 871it [19:40, 1.40s/it] 872it [19:42, 1.41s/it] 873it [19:43, 1.41s/it] 874it [19:45, 1.40s/it] 875it [19:46, 1.40s/it] 876it [19:47, 1.38s/it] 877it [19:49, 1.37s/it] 878it [19:50, 1.36s/it] 879it [19:51, 1.36s/it] 880it [19:53, 1.38s/it] 881it [19:54, 1.37s/it] 882it [19:56, 1.37s/it] 883it [19:57, 1.34s/it] 884it [19:58, 1.32s/it] 885it [19:59, 1.31s/it] 886it [20:01, 1.30s/it] 887it [20:02, 1.31s/it] 888it [20:03, 1.32s/it] 889it [20:05, 1.34s/it] 890it [20:06, 1.35s/it] 891it [20:08, 1.37s/it] 892it [20:09, 1.38s/it] 893it [20:10, 1.38s/it] 894it [20:12, 1.39s/it] 895it [20:13, 1.38s/it] 896it [20:14, 1.38s/it] 897it [20:16, 1.36s/it] 898it [20:17, 1.35s/it] 899it [20:18, 1.34s/it] 900it [20:20, 1.34s/it] 901it [20:21, 1.35s/it] 902it [20:22, 1.35s/it] 903it [20:24, 1.35s/it] 904it [20:25, 1.33s/it] 905it [20:26, 1.32s/it] 906it [20:28, 1.32s/it] 907it [20:29, 1.34s/it] 908it [20:30, 1.34s/it] 909it [20:32, 1.35s/it] 910it [20:33, 1.33s/it] 911it [20:34, 1.33s/it] 912it [20:36, 1.34s/it] 913it [20:37, 1.34s/it] 914it [20:38, 1.32s/it] 915it [20:40, 1.32s/it] 916it [20:41, 1.32s/it] 917it [20:42, 1.34s/it] 918it [20:44, 1.35s/it] 919it [20:45, 1.34s/it] 920it [20:46, 1.34s/it] 921it [20:48, 1.34s/it] 922it [20:49, 1.35s/it] 923it [20:51, 1.35s/it] 924it [20:52, 1.37s/it] 925it [20:53, 1.37s/it] 926it [20:55, 1.37s/it] 927it [20:56, 1.38s/it] 928it [20:57, 1.37s/it] 929it [20:59, 1.39s/it] 930it [21:00, 1.38s/it] 931it [21:02, 1.38s/it] 932it [21:03, 1.39s/it] 933it [21:04, 1.38s/it] 934it [21:06, 1.36s/it] 935it [21:07, 1.36s/it] 936it [21:08, 1.38s/it] 937it [21:10, 1.37s/it] 938it [21:11, 1.37s/it] 939it [21:12, 1.35s/it] 940it [21:14, 1.37s/it] 941it [21:15, 1.37s/it] 942it [21:17, 1.36s/it] 943it [21:18, 1.36s/it] 944it [21:19, 1.36s/it] 945it [21:21, 1.34s/it] 946it [21:22, 1.37s/it] 947it [21:23, 1.33s/it] 948it [21:25, 1.33s/it] 949it [21:26, 1.33s/it] 950it [21:27, 1.34s/it] 951it [21:29, 1.36s/it] 952it [21:30, 1.36s/it] 953it [21:31, 1.36s/it] 954it [21:33, 1.36s/it] 955it [21:34, 1.36s/it] 956it [21:36, 1.37s/it] 957it [21:37, 1.37s/it] 958it [21:38, 1.35s/it] 959it [21:40, 1.34s/it] 960it [21:41, 1.35s/it] 961it [21:42, 1.35s/it] 962it [21:44, 1.35s/it] 963it [21:45, 1.35s/it] 964it [21:46, 1.36s/it] 965it [21:48, 1.36s/it] 966it [21:49, 1.36s/it] 967it [21:50, 1.35s/it] 968it [21:52, 1.37s/it] 969it [21:53, 1.39s/it] 970it [21:55, 1.39s/it] 971it [21:56, 1.38s/it] 972it [21:57, 1.38s/it] 973it [21:59, 1.38s/it] 974it [22:00, 1.38s/it] 975it [22:02, 1.38s/it] 976it [22:03, 1.36s/it] 977it [22:04, 1.36s/it] 978it [22:06, 1.35s/it] 979it [22:07, 1.34s/it] 980it [22:08, 1.33s/it] 981it [22:09, 1.33s/it] 982it [22:11, 1.33s/it] 983it [22:12, 1.34s/it] 984it [22:13, 1.34s/it] 985it [22:15, 1.33s/it] 986it [22:16, 1.33s/it] 987it [22:17, 1.34s/it] 988it [22:19, 1.32s/it] 989it [22:20, 1.30s/it] 990it [22:21, 1.29s/it] 991it [22:23, 1.29s/it] 992it [22:24, 1.31s/it] 993it [22:25, 1.32s/it] 994it [22:27, 1.31s/it] 995it [22:28, 1.30s/it] 996it [22:29, 1.28s/it] 997it [22:30, 1.28s/it] 998it [22:32, 1.27s/it] 999it [22:33, 1.27s/it] 1000it [22:34, 1.28s/it] 1000it [22:34, 1.35s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:28.916154 +⏰ Completed process in 0:22:35.265810 diff --git a/chunked/d4-dock_006.csv.gz b/chunked/d4-dock_006.csv.gz index 5a27e573971d0bb2c084ed7c77c9b3824f64c96d..87196021c7e1ad2131aa247a99cab9057448d4ca 100644 --- a/chunked/d4-dock_006.csv.gz +++ b/chunked/d4-dock_006.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:936bc25e6f0ff8c2756dd1dac712a4bb7efd70f891cde846cb3e591c2a224b20 -size 31855147 +oid sha256:2ad2bec78dea3d6975b7ff4ad7f3f6bacbd5ffacd151f4a90fab24a8e01b56b6 +size 31855142 diff --git a/chunked/d4-dock_006.log b/chunked/d4-dock_006.log index 6fd6116d6d028efcd4b36c4b2681835a52278b4a..e35ce6ca6716e109d2729cda7ba0185457ae6c3d 100644 --- a/chunked/d4-dock_006.log +++ b/chunked/d4-dock_006.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.23s/it] 2it [00:02, 1.30s/it] 3it [00:03, 1.31s/it] 4it [00:05, 1.33s/it] 5it [00:06, 1.32s/it] 6it [00:07, 1.33s/it] 7it [00:09, 1.33s/it] 8it [00:10, 1.34s/it] 9it [00:11, 1.35s/it] 10it [00:13, 1.34s/it] 11it [00:14, 1.35s/it] 12it [00:16, 1.36s/it] 13it [00:17, 1.36s/it] 14it [00:18, 1.36s/it] 15it [00:20, 1.36s/it] 16it [00:21, 1.36s/it] 17it [00:22, 1.37s/it] 18it [00:24, 1.37s/it] 19it [00:25, 1.36s/it] 20it [00:26, 1.36s/it] 21it [00:28, 1.36s/it] 22it [00:29, 1.36s/it] 23it [00:30, 1.34s/it] 24it [00:32, 1.32s/it] 25it [00:33, 1.32s/it] 26it [00:34, 1.34s/it] 27it [00:36, 1.34s/it] 28it [00:37, 1.34s/it] 29it [00:38, 1.34s/it] 30it [00:40, 1.33s/it] 31it [00:41, 1.32s/it] 32it [00:42, 1.33s/it] 33it [00:44, 1.32s/it] 34it [00:45, 1.31s/it] 35it [00:46, 1.29s/it] 36it [00:48, 1.29s/it] 37it [00:49, 1.28s/it] 38it [00:50, 1.29s/it] 39it [00:51, 1.30s/it] 40it [00:53, 1.31s/it] 41it [00:54, 1.31s/it] 42it [00:55, 1.31s/it] 43it [00:57, 1.31s/it] 44it [00:58, 1.31s/it] 45it [00:59, 1.31s/it] 46it [01:01, 1.31s/it] 47it 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1.34s/it] 754it [16:38, 1.33s/it] 755it [16:40, 1.31s/it] 756it [16:41, 1.32s/it] 757it [16:42, 1.25s/it] 758it [16:43, 1.24s/it] 759it [16:45, 1.27s/it] 760it [16:46, 1.29s/it] 761it [16:47, 1.30s/it] 762it [16:49, 1.32s/it] 763it [16:50, 1.33s/it] 764it [16:51, 1.31s/it] 765it [16:53, 1.30s/it] 766it [16:54, 1.31s/it] 767it [16:55, 1.32s/it] 768it [16:57, 1.35s/it] 769it [16:58, 1.36s/it] 770it [17:00, 1.38s/it] 771it [17:01, 1.39s/it] 772it [17:02, 1.39s/it] 773it [17:04, 1.39s/it] 774it [17:05, 1.34s/it] 775it [17:06, 1.29s/it] 776it [17:07, 1.25s/it] 777it [17:08, 1.24s/it] 778it [17:10, 1.23s/it] 779it [17:11, 1.22s/it] 780it [17:12, 1.21s/it] 781it [17:13, 1.22s/it] 782it [17:14, 1.20s/it] 783it [17:16, 1.20s/it] 784it [17:17, 1.21s/it] 785it [17:18, 1.21s/it] 786it [17:19, 1.22s/it] 787it [17:20, 1.17s/it] 788it [17:21, 1.13s/it] 789it [17:23, 1.15s/it] 790it [17:24, 1.20s/it] 791it [17:25, 1.25s/it] 792it [17:27, 1.30s/it] 793it [17:28, 1.33s/it] 794it [17:29, 1.34s/it] 795it [17:31, 1.33s/it] 796it [17:32, 1.34s/it] 797it [17:33, 1.32s/it] 798it [17:35, 1.33s/it] 799it [17:36, 1.33s/it] 800it [17:37, 1.33s/it] 801it [17:39, 1.34s/it] 802it [17:40, 1.32s/it] 803it [17:41, 1.31s/it] 804it [17:43, 1.30s/it] 805it [17:44, 1.27s/it] 806it [17:45, 1.28s/it] 807it [17:46, 1.29s/it] 808it [17:48, 1.31s/it] 809it [17:49, 1.32s/it] 810it [17:51, 1.33s/it] 811it [17:52, 1.32s/it] 812it [17:53, 1.31s/it] 813it [17:54, 1.32s/it] 814it [17:56, 1.31s/it] 815it [17:57, 1.28s/it] 816it [17:58, 1.27s/it] 817it [17:59, 1.27s/it] 818it [18:01, 1.26s/it] 819it [18:02, 1.26s/it] 820it [18:03, 1.22s/it] 821it [18:04, 1.20s/it] 822it [18:06, 1.23s/it] 823it [18:07, 1.24s/it] 824it [18:08, 1.26s/it] 825it [18:09, 1.28s/it] 826it [18:11, 1.26s/it] 827it [18:12, 1.26s/it] 828it [18:13, 1.25s/it] 829it [18:14, 1.26s/it] 830it [18:16, 1.26s/it] 831it [18:17, 1.29s/it] 832it [18:18, 1.31s/it] 833it [18:20, 1.34s/it] 834it [18:21, 1.35s/it] 835it [18:23, 1.36s/it] 836it [18:24, 1.32s/it] 837it [18:25, 1.30s/it] 838it [18:26, 1.28s/it] 839it [18:28, 1.27s/it] 840it [18:29, 1.27s/it] 841it [18:30, 1.31s/it] 842it [18:31, 1.29s/it] 843it [18:33, 1.30s/it] 844it [18:34, 1.31s/it] 845it [18:35, 1.32s/it] 846it [18:37, 1.31s/it] 847it [18:38, 1.29s/it] 848it [18:39, 1.29s/it] 849it [18:41, 1.29s/it] 850it [18:42, 1.29s/it] 851it [18:43, 1.28s/it] 852it [18:44, 1.30s/it] 853it [18:46, 1.30s/it] 854it [18:47, 1.30s/it] 855it [18:48, 1.28s/it] 856it [18:50, 1.29s/it] 857it [18:51, 1.28s/it] 858it [18:52, 1.28s/it] 859it [18:53, 1.29s/it] 860it [18:55, 1.28s/it] 861it [18:56, 1.28s/it] 862it [18:57, 1.30s/it] 863it [18:59, 1.29s/it] 864it [19:00, 1.29s/it] 865it [19:01, 1.30s/it] 866it [19:02, 1.30s/it] 867it [19:04, 1.30s/it] 868it [19:05, 1.28s/it] 869it [19:06, 1.27s/it] 870it [19:08, 1.29s/it] 871it [19:09, 1.30s/it] 872it [19:10, 1.31s/it] 873it [19:12, 1.31s/it] 874it [19:13, 1.31s/it] 875it [19:14, 1.31s/it] 876it [19:16, 1.32s/it] 877it [19:17, 1.34s/it] 878it [19:18, 1.34s/it] 879it [19:20, 1.33s/it] 880it [19:21, 1.34s/it] 881it [19:22, 1.33s/it] 882it [19:24, 1.33s/it] 883it [19:25, 1.32s/it] 884it [19:26, 1.31s/it] 885it [19:27, 1.31s/it] 886it [19:29, 1.30s/it] 887it [19:30, 1.28s/it] 888it [19:31, 1.29s/it] 889it [19:33, 1.30s/it] 890it [19:34, 1.32s/it] 891it [19:35, 1.33s/it] 892it [19:37, 1.33s/it] 893it [19:38, 1.33s/it] 894it [19:39, 1.34s/it] 895it [19:41, 1.34s/it] 896it [19:42, 1.34s/it] 897it [19:43, 1.35s/it] 898it [19:45, 1.34s/it] 899it [19:46, 1.33s/it] 900it [19:47, 1.33s/it] 901it [19:49, 1.31s/it] 902it [19:50, 1.30s/it] 903it [19:51, 1.30s/it] 904it [19:52, 1.30s/it] 905it [19:54, 1.28s/it] 906it [19:55, 1.29s/it] 907it [19:56, 1.28s/it] 908it [19:58, 1.29s/it] 909it [19:59, 1.30s/it] 910it [20:00, 1.31s/it] 911it [20:02, 1.33s/it] 912it [20:03, 1.33s/it] 913it [20:04, 1.34s/it] 914it [20:06, 1.34s/it] 915it [20:07, 1.35s/it] 916it [20:08, 1.33s/it] 917it [20:10, 1.32s/it] 918it [20:11, 1.33s/it] 919it [20:12, 1.31s/it] 920it [20:14, 1.30s/it] 921it [20:15, 1.29s/it] 922it [20:16, 1.29s/it] 923it [20:17, 1.30s/it] 924it [20:19, 1.30s/it] 925it [20:20, 1.31s/it] 926it [20:21, 1.31s/it] 927it [20:23, 1.31s/it] 928it [20:24, 1.31s/it] 929it [20:25, 1.31s/it] 930it [20:26, 1.29s/it] 931it [20:28, 1.22s/it] 932it [20:29, 1.18s/it] 933it [20:30, 1.17s/it] 934it [20:31, 1.19s/it] 935it [20:32, 1.21s/it] 936it [20:34, 1.23s/it] 937it [20:35, 1.24s/it] 938it [20:36, 1.26s/it] 939it [20:37, 1.26s/it] 940it [20:39, 1.26s/it] 941it [20:40, 1.28s/it] 942it [20:41, 1.28s/it] 943it [20:42, 1.26s/it] 944it [20:44, 1.27s/it] 945it [20:45, 1.28s/it] 946it [20:46, 1.29s/it] 947it [20:48, 1.30s/it] 948it [20:49, 1.30s/it] 949it [20:50, 1.28s/it] 950it [20:52, 1.29s/it] 951it [20:53, 1.31s/it] 952it [20:54, 1.32s/it] 953it [20:56, 1.33s/it] 954it [20:57, 1.34s/it] 955it [20:58, 1.32s/it] 956it [21:00, 1.33s/it] 957it [21:01, 1.32s/it] 958it [21:02, 1.29s/it] 959it [21:03, 1.28s/it] 960it [21:05, 1.27s/it] 961it [21:06, 1.30s/it] 962it [21:07, 1.31s/it] 963it [21:09, 1.30s/it] 964it [21:10, 1.28s/it] 965it [21:11, 1.28s/it] 966it [21:12, 1.27s/it] 967it [21:14, 1.25s/it] 968it [21:15, 1.22s/it] 969it [21:16, 1.21s/it] 970it [21:17, 1.21s/it] 971it [21:18, 1.23s/it] 972it [21:20, 1.26s/it] 973it [21:21, 1.26s/it] 974it [21:22, 1.25s/it] 975it [21:23, 1.27s/it] 976it [21:25, 1.28s/it] 977it [21:26, 1.27s/it] 978it [21:27, 1.28s/it] 979it [21:29, 1.27s/it] 980it [21:30, 1.28s/it] 981it [21:31, 1.28s/it] 982it [21:32, 1.28s/it] 983it [21:34, 1.29s/it] 984it [21:35, 1.30s/it] 985it [21:36, 1.31s/it] 986it [21:38, 1.29s/it] 987it [21:39, 1.25s/it] 988it [21:40, 1.23s/it] 989it [21:41, 1.25s/it] 990it [21:43, 1.25s/it] 991it [21:44, 1.25s/it] 992it [21:45, 1.26s/it] 993it [21:46, 1.24s/it] 994it [21:47, 1.23s/it] 995it [21:49, 1.20s/it] 996it [21:50, 1.15s/it] 997it [21:51, 1.13s/it] 998it [21:52, 1.13s/it] 999it [21:53, 1.13s/it] 1000it [21:54, 1.17s/it] 1000it [21:54, 1.31s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:21:55.902736 +⏰ Completed process in 0:21:55.330552 diff --git a/chunked/d4-dock_007.csv.gz b/chunked/d4-dock_007.csv.gz index 91ba6b5887665702e7135c0722107d7cb5a4f2df..11a0d4b20e668eeee4f2b7be6a265b01aae5a5b2 100644 --- a/chunked/d4-dock_007.csv.gz +++ b/chunked/d4-dock_007.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:804c5b2b541826b4cbb4dd584eb08c04bf59cbb7f2abbc8207e71ade09868618 -size 31167980 +oid sha256:0426b9138f09db4fe1d1b671cc3ab2917c5a1aea9fd08beee2549e76fd2fc0b0 +size 31167917 diff --git a/chunked/d4-dock_007.log b/chunked/d4-dock_007.log index aa22be0abf81a7687d073e995686591704a534bf..513f05ba5b8537728705a743391d14b74f8ff509 100644 --- a/chunked/d4-dock_007.log +++ b/chunked/d4-dock_007.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.22s/it] 2it [00:02, 1.22s/it] 3it [00:03, 1.25s/it] 4it [00:04, 1.25s/it] 5it [00:06, 1.26s/it] 6it [00:07, 1.26s/it] 7it [00:08, 1.22s/it] 8it [00:09, 1.25s/it] 9it [00:11, 1.23s/it] 10it [00:12, 1.23s/it] 11it [00:13, 1.26s/it] 12it [00:14, 1.22s/it] 13it [00:16, 1.22s/it] 14it [00:17, 1.25s/it] 15it [00:18, 1.27s/it] 16it [00:19, 1.27s/it] 17it [00:21, 1.28s/it] 18it [00:22, 1.28s/it] 19it [00:23, 1.29s/it] 20it [00:25, 1.30s/it] 21it [00:26, 1.31s/it] 22it [00:27, 1.32s/it] 23it [00:29, 1.31s/it] 24it [00:30, 1.31s/it] 25it [00:31, 1.32s/it] 26it [00:33, 1.32s/it] 27it [00:34, 1.31s/it] 28it [00:35, 1.30s/it] 29it [00:37, 1.31s/it] 30it [00:38, 1.30s/it] 31it [00:39, 1.30s/it] 32it [00:40, 1.31s/it] 33it [00:42, 1.31s/it] 34it [00:43, 1.32s/it] 35it [00:44, 1.31s/it] 36it [00:46, 1.29s/it] 37it [00:47, 1.29s/it] 38it [00:48, 1.29s/it] 39it [00:50, 1.30s/it] 40it [00:51, 1.30s/it] 41it [00:52, 1.30s/it] 42it [00:53, 1.29s/it] 43it [00:55, 1.28s/it] 44it [00:56, 1.29s/it] 45it [00:57, 1.29s/it] 46it [00:59, 1.29s/it] 47it [01:00, 1.28s/it] 48it [01:01, 1.27s/it] 49it [01:02, 1.28s/it] 50it [01:04, 1.28s/it] 51it [01:05, 1.28s/it] 52it [01:06, 1.26s/it] 53it [01:07, 1.25s/it] 54it [01:09, 1.25s/it] 55it [01:10, 1.29s/it] 56it [01:11, 1.26s/it] 57it [01:12, 1.27s/it] 58it [01:14, 1.24s/it] 59it [01:15, 1.23s/it] 60it [01:16, 1.20s/it] 61it [01:17, 1.18s/it] 62it [01:18, 1.17s/it] 63it [01:19, 1.16s/it] 64it [01:21, 1.15s/it] 65it [01:22, 1.15s/it] 66it [01:23, 1.14s/it] 67it [01:24, 1.13s/it] 68it [01:25, 1.14s/it] 69it [01:26, 1.13s/it] 70it [01:27, 1.13s/it] 71it [01:28, 1.13s/it] 72it [01:30, 1.21s/it] 73it [01:31, 1.23s/it] 74it [01:32, 1.25s/it] 75it [01:34, 1.26s/it] 76it [01:35, 1.26s/it] 77it [01:36, 1.27s/it] 78it [01:38, 1.28s/it] 79it [01:39, 1.29s/it] 80it [01:40, 1.31s/it] 81it [01:42, 1.32s/it] 82it [01:43, 1.35s/it] 83it [01:44, 1.34s/it] 84it [01:46, 1.33s/it] 85it [01:47, 1.30s/it] 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1.26s/it] 874it [19:12, 1.23s/it] 875it [19:13, 1.21s/it] 876it [19:14, 1.20s/it] 877it [19:15, 1.21s/it] 878it [19:17, 1.21s/it] 879it [19:18, 1.19s/it] 880it [19:19, 1.20s/it] 881it [19:20, 1.21s/it] 882it [19:21, 1.20s/it] 883it [19:23, 1.20s/it] 884it [19:24, 1.20s/it] 885it [19:25, 1.21s/it] 886it [19:26, 1.19s/it] 887it [19:27, 1.19s/it] 888it [19:28, 1.18s/it] 889it [19:30, 1.18s/it] 890it [19:31, 1.18s/it] 891it [19:32, 1.18s/it] 892it [19:33, 1.18s/it] 893it [19:34, 1.18s/it] 894it [19:36, 1.17s/it] 895it [19:37, 1.17s/it] 896it [19:38, 1.17s/it] 897it [19:39, 1.16s/it] 898it [19:40, 1.16s/it] 899it [19:41, 1.17s/it] 900it [19:42, 1.15s/it] 901it [19:44, 1.15s/it] 902it [19:45, 1.14s/it] 903it [19:46, 1.14s/it] 904it [19:47, 1.14s/it] 905it [19:48, 1.15s/it] 906it [19:49, 1.16s/it] 907it [19:51, 1.17s/it] 908it [19:52, 1.18s/it] 909it [19:53, 1.19s/it] 910it [19:54, 1.18s/it] 911it [19:55, 1.20s/it] 912it [19:57, 1.20s/it] 913it [19:58, 1.23s/it] 914it [19:59, 1.28s/it] 915it [20:01, 1.32s/it] 916it [20:02, 1.35s/it] 917it [20:04, 1.39s/it] 918it [20:05, 1.40s/it] 919it [20:06, 1.41s/it] 920it [20:08, 1.41s/it] 921it [20:09, 1.42s/it] 922it [20:11, 1.42s/it] 923it [20:12, 1.42s/it] 924it [20:14, 1.42s/it] 925it [20:15, 1.42s/it] 926it [20:16, 1.42s/it] 927it [20:18, 1.42s/it] 928it [20:19, 1.42s/it] 929it [20:21, 1.41s/it] 930it [20:22, 1.41s/it] 931it [20:23, 1.40s/it] 932it [20:25, 1.39s/it] 933it [20:26, 1.39s/it] 934it [20:28, 1.39s/it] 935it [20:29, 1.38s/it] 936it [20:30, 1.38s/it] 937it [20:32, 1.37s/it] 938it [20:33, 1.36s/it] 939it [20:34, 1.35s/it] 940it [20:36, 1.35s/it] 941it [20:37, 1.35s/it] 942it [20:38, 1.35s/it] 943it [20:40, 1.34s/it] 944it [20:41, 1.34s/it] 945it [20:42, 1.34s/it] 946it [20:44, 1.34s/it] 947it [20:45, 1.34s/it] 948it [20:46, 1.33s/it] 949it [20:48, 1.32s/it] 950it [20:49, 1.32s/it] 951it [20:50, 1.33s/it] 952it [20:52, 1.33s/it] 953it [20:53, 1.33s/it] 954it [20:54, 1.33s/it] 955it [20:56, 1.33s/it] 956it [20:57, 1.34s/it] 957it [20:58, 1.34s/it] 958it [21:00, 1.35s/it] 959it [21:01, 1.35s/it] 960it [21:02, 1.34s/it] 961it [21:04, 1.34s/it] 962it [21:05, 1.34s/it] 963it [21:06, 1.34s/it] 964it [21:08, 1.35s/it] 965it [21:09, 1.38s/it] 966it [21:11, 1.40s/it] 967it [21:12, 1.38s/it] 968it [21:13, 1.40s/it] 969it [21:15, 1.41s/it] 970it [21:16, 1.42s/it] 971it [21:18, 1.42s/it] 972it [21:19, 1.43s/it] 973it [21:21, 1.43s/it] 974it [21:22, 1.44s/it] 975it [21:24, 1.44s/it] 976it [21:25, 1.42s/it] 977it [21:26, 1.35s/it] 978it [21:27, 1.26s/it] 979it [21:28, 1.21s/it] 980it [21:29, 1.21s/it] 981it [21:31, 1.26s/it] 982it [21:32, 1.28s/it] 983it [21:33, 1.29s/it] 984it [21:35, 1.30s/it] 985it [21:36, 1.32s/it] 986it [21:38, 1.35s/it] 987it [21:39, 1.36s/it] 988it [21:40, 1.36s/it] 989it [21:42, 1.36s/it] 990it [21:43, 1.35s/it] 991it [21:44, 1.33s/it] 992it [21:46, 1.33s/it] 993it [21:47, 1.33s/it] 994it [21:48, 1.31s/it] 995it [21:50, 1.32s/it] 996it [21:51, 1.32s/it] 997it [21:52, 1.33s/it] 998it [21:54, 1.33s/it] 999it [21:55, 1.33s/it] 1000it [21:56, 1.33s/it] 1000it [21:56, 1.32s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:21:26.395170 +⏰ Completed process in 0:21:57.360704 diff --git a/chunked/d4-dock_008.csv.gz b/chunked/d4-dock_008.csv.gz index b0a38ce12d93bcaf40b4cf41afebd6faf69d9b39..47649475e581970e898666192880953d17cb39e0 100644 --- a/chunked/d4-dock_008.csv.gz +++ b/chunked/d4-dock_008.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:88e2aeef148dab969863c714f7cef9ce1324b5980f06b65aef010734f2e4caed -size 32270484 +oid sha256:2b3785b34525a4585d2c2575da914b261d2cddcea680304b636d796d0ca8adaa +size 32270480 diff --git a/chunked/d4-dock_008.log b/chunked/d4-dock_008.log index a29875831d65af6393fadcc571e4d3125f8e8834..242d91be12716be24e29e94c8de00679159cfc79 100644 --- a/chunked/d4-dock_008.log +++ b/chunked/d4-dock_008.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.39s/it] 2it [00:02, 1.36s/it] 3it [00:04, 1.35s/it] 4it [00:05, 1.36s/it] 5it [00:06, 1.35s/it] 6it [00:08, 1.37s/it] 7it [00:09, 1.37s/it] 8it [00:10, 1.38s/it] 9it [00:12, 1.38s/it] 10it [00:13, 1.36s/it] 11it [00:14, 1.35s/it] 12it [00:16, 1.36s/it] 13it [00:17, 1.36s/it] 14it [00:18, 1.31s/it] 15it [00:20, 1.35s/it] 16it [00:21, 1.38s/it] 17it [00:23, 1.41s/it] 18it [00:24, 1.42s/it] 19it [00:26, 1.42s/it] 20it [00:27, 1.42s/it] 21it [00:28, 1.43s/it] 22it [00:30, 1.43s/it] 23it [00:31, 1.43s/it] 24it [00:33, 1.42s/it] 25it [00:34, 1.39s/it] 26it [00:36, 1.40s/it] 27it [00:37, 1.42s/it] 28it [00:38, 1.42s/it] 29it [00:40, 1.42s/it] 30it [00:41, 1.43s/it] 31it [00:43, 1.43s/it] 32it [00:44, 1.40s/it] 33it [00:45, 1.40s/it] 34it [00:47, 1.39s/it] 35it [00:48, 1.39s/it] 36it [00:50, 1.41s/it] 37it [00:51, 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1.32s/it] 703it [15:39, 1.34s/it] 704it [15:40, 1.35s/it] 705it [15:41, 1.36s/it] 706it [15:43, 1.35s/it] 707it [15:44, 1.33s/it] 708it [15:45, 1.35s/it] 709it [15:47, 1.34s/it] 710it [15:48, 1.32s/it] 711it [15:49, 1.33s/it] 712it [15:51, 1.32s/it] 713it [15:52, 1.33s/it] 714it [15:53, 1.34s/it] 715it [15:55, 1.34s/it] 716it [15:56, 1.34s/it] 717it [15:57, 1.33s/it] 718it [15:59, 1.34s/it] 719it [16:00, 1.35s/it] 720it [16:01, 1.35s/it] 721it [16:03, 1.35s/it] 722it [16:04, 1.36s/it] 723it [16:06, 1.36s/it] 724it [16:07, 1.35s/it] 725it [16:08, 1.33s/it] 726it [16:09, 1.32s/it] 727it [16:11, 1.32s/it] 728it [16:12, 1.33s/it] 729it [16:13, 1.33s/it] 730it [16:15, 1.34s/it] 731it [16:16, 1.34s/it] 732it [16:17, 1.34s/it] 733it [16:19, 1.34s/it] 734it [16:20, 1.33s/it] 735it [16:21, 1.33s/it] 736it [16:23, 1.33s/it] 737it [16:24, 1.32s/it] 738it [16:25, 1.32s/it] 739it [16:27, 1.32s/it] 740it [16:28, 1.30s/it] 741it [16:29, 1.29s/it] 742it [16:31, 1.31s/it] 743it [16:32, 1.32s/it] 744it 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1.28s/it] 786it [17:29, 1.29s/it] 787it [17:30, 1.30s/it] 788it [17:31, 1.31s/it] 789it [17:33, 1.31s/it] 790it [17:34, 1.30s/it] 791it [17:35, 1.31s/it] 792it [17:37, 1.32s/it] 793it [17:38, 1.32s/it] 794it [17:39, 1.35s/it] 795it [17:41, 1.36s/it] 796it [17:42, 1.35s/it] 797it [17:43, 1.36s/it] 798it [17:45, 1.36s/it] 799it [17:46, 1.35s/it] 800it [17:47, 1.35s/it] 801it [17:49, 1.34s/it] 802it [17:50, 1.32s/it] 803it [17:51, 1.29s/it] 804it [17:52, 1.28s/it] 805it [17:54, 1.29s/it] 806it [17:55, 1.30s/it] 807it [17:56, 1.31s/it] 808it [17:58, 1.32s/it] 809it [17:59, 1.35s/it] 810it [18:01, 1.36s/it] 811it [18:02, 1.36s/it] 812it [18:03, 1.36s/it] 813it [18:05, 1.38s/it] 814it [18:06, 1.39s/it] 815it [18:07, 1.38s/it] 816it [18:09, 1.38s/it] 817it [18:10, 1.37s/it] 818it [18:12, 1.37s/it] 819it [18:13, 1.35s/it] 820it [18:14, 1.36s/it] 821it [18:16, 1.33s/it] 822it [18:17, 1.32s/it] 823it [18:18, 1.32s/it] 824it [18:19, 1.33s/it] 825it [18:21, 1.33s/it] 826it [18:22, 1.34s/it] 827it [18:24, 1.37s/it] 828it [18:25, 1.38s/it] 829it [18:26, 1.37s/it] 830it [18:28, 1.36s/it] 831it [18:29, 1.38s/it] 832it [18:30, 1.37s/it] 833it [18:32, 1.36s/it] 834it [18:33, 1.36s/it] 835it [18:35, 1.36s/it] 836it [18:36, 1.36s/it] 837it [18:37, 1.35s/it] 838it [18:39, 1.34s/it] 839it [18:40, 1.33s/it] 840it [18:41, 1.34s/it] 841it [18:43, 1.34s/it] 842it [18:44, 1.35s/it] 843it [18:45, 1.35s/it] 844it [18:47, 1.34s/it] 845it [18:48, 1.33s/it] 846it [18:49, 1.33s/it] 847it [18:51, 1.34s/it] 848it [18:52, 1.33s/it] 849it [18:53, 1.35s/it] 850it [18:55, 1.35s/it] 851it [18:56, 1.34s/it] 852it [18:57, 1.34s/it] 853it [18:59, 1.34s/it] 854it [19:00, 1.36s/it] 855it [19:01, 1.37s/it] 856it [19:03, 1.36s/it] 857it [19:04, 1.36s/it] 858it [19:05, 1.35s/it] 859it [19:07, 1.36s/it] 860it [19:08, 1.37s/it] 861it [19:10, 1.36s/it] 862it [19:11, 1.38s/it] 863it [19:12, 1.36s/it] 864it [19:14, 1.36s/it] 865it [19:15, 1.37s/it] 866it [19:16, 1.37s/it] 867it [19:18, 1.37s/it] 868it [19:19, 1.37s/it] 869it [19:20, 1.33s/it] 870it [19:22, 1.33s/it] 871it [19:23, 1.33s/it] 872it [19:24, 1.33s/it] 873it [19:26, 1.33s/it] 874it [19:27, 1.34s/it] 875it [19:28, 1.35s/it] 876it [19:30, 1.34s/it] 877it [19:31, 1.34s/it] 878it [19:32, 1.32s/it] 879it [19:34, 1.32s/it] 880it [19:35, 1.32s/it] 881it [19:36, 1.31s/it] 882it [19:38, 1.31s/it] 883it [19:39, 1.31s/it] 884it [19:40, 1.31s/it] 885it [19:42, 1.31s/it] 886it [19:43, 1.30s/it] 887it [19:44, 1.31s/it] 888it [19:46, 1.31s/it] 889it [19:47, 1.28s/it] 890it [19:48, 1.29s/it] 891it [19:49, 1.30s/it] 892it [19:51, 1.33s/it] 893it [19:52, 1.35s/it] 894it [19:53, 1.33s/it] 895it [19:55, 1.33s/it] 896it [19:56, 1.32s/it] 897it [19:57, 1.32s/it] 898it [19:59, 1.33s/it] 899it [20:00, 1.33s/it] 900it [20:01, 1.34s/it] 901it [20:03, 1.32s/it] 902it [20:04, 1.32s/it] 903it [20:05, 1.32s/it] 904it [20:07, 1.32s/it] 905it [20:08, 1.34s/it] 906it [20:09, 1.35s/it] 907it [20:11, 1.35s/it] 908it [20:12, 1.35s/it] 909it [20:13, 1.33s/it] 910it [20:15, 1.33s/it] 911it [20:16, 1.34s/it] 912it [20:17, 1.34s/it] 913it [20:19, 1.35s/it] 914it [20:20, 1.35s/it] 915it [20:22, 1.35s/it] 916it [20:23, 1.35s/it] 917it [20:24, 1.35s/it] 918it [20:26, 1.36s/it] 919it [20:27, 1.36s/it] 920it [20:28, 1.34s/it] 921it [20:30, 1.33s/it] 922it [20:31, 1.33s/it] 923it [20:32, 1.34s/it] 924it [20:34, 1.33s/it] 925it [20:35, 1.33s/it] 926it [20:36, 1.35s/it] 927it [20:38, 1.35s/it] 928it [20:39, 1.35s/it] 929it [20:40, 1.36s/it] 930it [20:42, 1.35s/it] 931it [20:43, 1.36s/it] 932it [20:44, 1.36s/it] 933it [20:46, 1.34s/it] 934it [20:47, 1.35s/it] 935it [20:48, 1.32s/it] 936it [20:50, 1.31s/it] 937it [20:51, 1.31s/it] 938it [20:52, 1.31s/it] 939it [20:54, 1.30s/it] 940it [20:55, 1.33s/it] 941it [20:56, 1.34s/it] 942it [20:58, 1.35s/it] 943it [20:59, 1.33s/it] 944it [21:00, 1.33s/it] 945it [21:02, 1.35s/it] 946it [21:03, 1.36s/it] 947it [21:04, 1.34s/it] 948it [21:06, 1.34s/it] 949it [21:07, 1.33s/it] 950it [21:08, 1.33s/it] 951it [21:10, 1.32s/it] 952it [21:11, 1.32s/it] 953it [21:12, 1.32s/it] 954it [21:14, 1.34s/it] 955it [21:15, 1.36s/it] 956it [21:16, 1.35s/it] 957it [21:18, 1.35s/it] 958it [21:19, 1.35s/it] 959it [21:20, 1.36s/it] 960it [21:22, 1.34s/it] 961it [21:23, 1.32s/it] 962it [21:24, 1.33s/it] 963it [21:26, 1.33s/it] 964it [21:27, 1.33s/it] 965it [21:28, 1.33s/it] 966it [21:30, 1.34s/it] 967it [21:31, 1.35s/it] 968it [21:33, 1.36s/it] 969it [21:34, 1.36s/it] 970it [21:35, 1.36s/it] 971it [21:37, 1.37s/it] 972it [21:38, 1.35s/it] 973it [21:39, 1.34s/it] 974it [21:41, 1.34s/it] 975it [21:42, 1.33s/it] 976it [21:43, 1.34s/it] 977it [21:45, 1.33s/it] 978it [21:46, 1.32s/it] 979it [21:47, 1.34s/it] 980it [21:49, 1.36s/it] 981it [21:50, 1.37s/it] 982it [21:51, 1.37s/it] 983it [21:53, 1.36s/it] 984it [21:54, 1.34s/it] 985it [21:55, 1.34s/it] 986it [21:57, 1.35s/it] 987it [21:58, 1.35s/it] 988it [21:59, 1.36s/it] 989it [22:01, 1.35s/it] 990it [22:02, 1.35s/it] 991it [22:03, 1.34s/it] 992it [22:05, 1.32s/it] 993it [22:06, 1.31s/it] 994it [22:07, 1.30s/it] 995it [22:09, 1.29s/it] 996it [22:10, 1.30s/it] 997it [22:11, 1.31s/it] 998it [22:13, 1.33s/it] 999it [22:14, 1.35s/it] 1000it [22:15, 1.35s/it] 1000it [22:15, 1.34s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:37.260826 +⏰ Completed process in 0:22:16.364054 diff --git a/chunked/d4-dock_009.csv.gz b/chunked/d4-dock_009.csv.gz index c2e2d6dde449f040ff6a3e5b8cb5a7227a5d5ecc..07bbd5b9c4ff68bc2df37a9b8885adb7a35b8e36 100644 --- a/chunked/d4-dock_009.csv.gz +++ b/chunked/d4-dock_009.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:fe0a07b43939bbabd21b151040c967e34402b33792b07f864d13ed39e0768638 -size 32043424 +oid sha256:6156afadeaa5f490016222776de3b9cb3ee93a1825d43690ec3676ee71a25c00 +size 32043462 diff --git a/chunked/d4-dock_009.log b/chunked/d4-dock_009.log index b0f48daf026c4bb8ec71c3c972b14d22208dcfc7..ae6d309379bbd7f3fef2716b8aed07c9a825c973 100644 --- a/chunked/d4-dock_009.log +++ b/chunked/d4-dock_009.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.44s/it] 2it [00:02, 1.44s/it] 3it [00:04, 1.43s/it] 4it [00:05, 1.41s/it] 5it [00:07, 1.40s/it] 6it [00:08, 1.40s/it] 7it [00:09, 1.38s/it] 8it [00:11, 1.37s/it] 9it [00:12, 1.36s/it] 10it [00:13, 1.36s/it] 11it [00:15, 1.36s/it] 12it [00:16, 1.36s/it] 13it [00:17, 1.36s/it] 14it [00:19, 1.36s/it] 15it [00:20, 1.35s/it] 16it [00:21, 1.35s/it] 17it [00:23, 1.33s/it] 18it [00:24, 1.32s/it] 19it [00:25, 1.32s/it] 20it [00:27, 1.33s/it] 21it [00:28, 1.33s/it] 22it [00:29, 1.33s/it] 23it [00:31, 1.32s/it] 24it [00:32, 1.34s/it] 25it [00:33, 1.36s/it] 26it [00:35, 1.35s/it] 27it [00:36, 1.33s/it] 28it [00:37, 1.35s/it] 29it [00:39, 1.33s/it] 30it [00:40, 1.29s/it] 31it [00:41, 1.26s/it] 32it [00:42, 1.24s/it] 33it [00:44, 1.26s/it] 34it [00:45, 1.28s/it] 35it [00:46, 1.28s/it] 36it [00:48, 1.29s/it] 37it [00:49, 1.29s/it] 38it [00:50, 1.31s/it] 39it [00:52, 1.33s/it] 40it [00:53, 1.32s/it] 41it [00:54, 1.31s/it] 42it [00:55, 1.33s/it] 43it [00:57, 1.33s/it] 44it [00:58, 1.33s/it] 45it [01:00, 1.33s/it] 46it [01:01, 1.35s/it] 47it [01:02, 1.35s/it] 48it [01:04, 1.35s/it] 49it [01:05, 1.35s/it] 50it [01:06, 1.35s/it] 51it [01:08, 1.35s/it] 52it [01:09, 1.36s/it] 53it [01:10, 1.36s/it] 54it [01:12, 1.37s/it] 55it [01:13, 1.37s/it] 56it [01:15, 1.40s/it] 57it [01:16, 1.37s/it] 58it [01:17, 1.36s/it] 59it [01:19, 1.34s/it] 60it [01:20, 1.33s/it] 61it [01:21, 1.33s/it] 62it [01:23, 1.34s/it] 63it [01:24, 1.36s/it] 64it [01:25, 1.35s/it] 65it [01:27, 1.34s/it] 66it [01:28, 1.32s/it] 67it [01:29, 1.33s/it] 68it [01:31, 1.35s/it] 69it [01:32, 1.36s/it] 70it [01:33, 1.36s/it] 71it [01:35, 1.36s/it] 72it [01:36, 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[20:44, 1.34s/it] 944it [20:45, 1.34s/it] 945it [20:47, 1.34s/it] 946it [20:48, 1.34s/it] 947it [20:49, 1.34s/it] 948it [20:51, 1.34s/it] 949it [20:52, 1.34s/it] 950it [20:53, 1.34s/it] 951it [20:55, 1.35s/it] 952it [20:56, 1.35s/it] 953it [20:57, 1.35s/it] 954it [20:59, 1.35s/it] 955it [21:00, 1.35s/it] 956it [21:01, 1.35s/it] 957it [21:03, 1.35s/it] 958it [21:04, 1.35s/it] 959it [21:05, 1.35s/it] 960it [21:07, 1.35s/it] 961it [21:08, 1.34s/it] 962it [21:09, 1.35s/it] 963it [21:11, 1.34s/it] 964it [21:12, 1.34s/it] 965it [21:13, 1.34s/it] 966it [21:15, 1.34s/it] 967it [21:16, 1.34s/it] 968it [21:17, 1.34s/it] 969it [21:19, 1.35s/it] 970it [21:20, 1.34s/it] 971it [21:22, 1.34s/it] 972it [21:23, 1.35s/it] 973it [21:24, 1.35s/it] 974it [21:26, 1.34s/it] 975it [21:27, 1.34s/it] 976it [21:28, 1.34s/it] 977it [21:30, 1.34s/it] 978it [21:31, 1.34s/it] 979it [21:32, 1.35s/it] 980it [21:34, 1.35s/it] 981it [21:35, 1.36s/it] 982it [21:36, 1.36s/it] 983it [21:38, 1.36s/it] 984it [21:39, 1.36s/it] 985it [21:40, 1.36s/it] 986it [21:42, 1.36s/it] 987it [21:43, 1.37s/it] 988it [21:45, 1.36s/it] 989it [21:46, 1.36s/it] 990it [21:47, 1.35s/it] 991it [21:49, 1.35s/it] 992it [21:50, 1.35s/it] 993it [21:51, 1.35s/it] 994it [21:53, 1.34s/it] 995it [21:54, 1.36s/it] 996it [21:55, 1.36s/it] 997it [21:57, 1.36s/it] 998it [21:58, 1.36s/it] 999it [21:59, 1.36s/it] 1000it [22:01, 1.36s/it] 1000it [22:01, 1.32s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:46.049916 +⏰ Completed process in 0:22:01.844946 diff --git a/chunked/d4-dock_010.csv.gz b/chunked/d4-dock_010.csv.gz index 14356e70abe347fd236ecdb85dd10cddc4d82c00..4e889678988029da2afda5c88d7775451615b4ad 100644 --- a/chunked/d4-dock_010.csv.gz +++ b/chunked/d4-dock_010.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:c4e18b29f195255185264bd1b1c34935d3af9f5b40cba6ec3281d78bc92bed44 -size 37493619 +oid sha256:98ae83db82e646301c57f7600b02452890c1804966c635e4b54c591fafca27cb +size 37493637 diff --git a/chunked/d4-dock_010.log b/chunked/d4-dock_010.log index 480454f0cd1ee76ba50733e87abf8674f12cd95e..08450bb7d5e13d342dac4f4ed10ea7355dd306ff 100644 --- a/chunked/d4-dock_010.log +++ b/chunked/d4-dock_010.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.40s/it] 2it [00:02, 1.39s/it] 3it [00:04, 1.39s/it] 4it [00:05, 1.38s/it] 5it [00:06, 1.38s/it] 6it [00:08, 1.38s/it] 7it [00:09, 1.38s/it] 8it [00:11, 1.38s/it] 9it [00:12, 1.38s/it] 10it [00:13, 1.38s/it] 11it [00:15, 1.38s/it] 12it [00:16, 1.38s/it] 13it [00:17, 1.38s/it] 14it [00:19, 1.38s/it] 15it [00:20, 1.38s/it] 16it [00:22, 1.38s/it] 17it [00:23, 1.38s/it] 18it [00:24, 1.38s/it] 19it [00:26, 1.37s/it] 20it [00:27, 1.37s/it] 21it [00:28, 1.36s/it] 22it 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1.34s/it] 813it [18:13, 1.34s/it] 814it [18:14, 1.34s/it] 815it [18:16, 1.33s/it] 816it [18:17, 1.34s/it] 817it [18:18, 1.34s/it] 818it [18:20, 1.34s/it] 819it [18:21, 1.34s/it] 820it [18:22, 1.34s/it] 821it [18:24, 1.34s/it] 822it [18:25, 1.34s/it] 823it [18:26, 1.35s/it] 824it [18:28, 1.35s/it] 825it [18:29, 1.35s/it] 826it [18:30, 1.35s/it] 827it [18:32, 1.36s/it] 828it [18:33, 1.36s/it] 829it [18:34, 1.35s/it] 830it [18:36, 1.35s/it] 831it [18:37, 1.35s/it] 832it [18:38, 1.34s/it] 833it [18:40, 1.34s/it] 834it [18:41, 1.34s/it] 835it [18:42, 1.34s/it] 836it [18:44, 1.34s/it] 837it [18:45, 1.34s/it] 838it [18:46, 1.34s/it] 839it [18:48, 1.34s/it] 840it [18:49, 1.33s/it] 841it [18:50, 1.34s/it] 842it [18:52, 1.33s/it] 843it [18:53, 1.33s/it] 844it [18:54, 1.34s/it] 845it [18:56, 1.34s/it] 846it [18:57, 1.34s/it] 847it [18:58, 1.34s/it] 848it [19:00, 1.34s/it] 849it [19:01, 1.35s/it] 850it [19:03, 1.35s/it] 851it [19:04, 1.35s/it] 852it [19:05, 1.35s/it] 853it [19:07, 1.35s/it] 854it 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1.35s/it] 896it [20:04, 1.34s/it] 897it [20:06, 1.34s/it] 898it [20:07, 1.34s/it] 899it [20:08, 1.34s/it] 900it [20:10, 1.35s/it] 901it [20:11, 1.35s/it] 902it [20:12, 1.35s/it] 903it [20:14, 1.35s/it] 904it [20:15, 1.34s/it] 905it [20:16, 1.34s/it] 906it [20:18, 1.34s/it] 907it [20:19, 1.34s/it] 908it [20:20, 1.34s/it] 909it [20:22, 1.34s/it] 910it [20:23, 1.34s/it] 911it [20:24, 1.34s/it] 912it [20:26, 1.34s/it] 913it [20:27, 1.34s/it] 914it [20:28, 1.34s/it] 915it [20:30, 1.35s/it] 916it [20:31, 1.35s/it] 917it [20:33, 1.35s/it] 918it [20:34, 1.35s/it] 919it [20:35, 1.34s/it] 920it [20:37, 1.34s/it] 921it [20:38, 1.34s/it] 922it [20:39, 1.34s/it] 923it [20:41, 1.34s/it] 924it [20:42, 1.33s/it] 925it [20:43, 1.34s/it] 926it [20:45, 1.34s/it] 927it [20:46, 1.34s/it] 928it [20:47, 1.33s/it] 929it [20:49, 1.33s/it] 930it [20:50, 1.34s/it] 931it [20:51, 1.34s/it] 932it [20:53, 1.34s/it] 933it [20:54, 1.34s/it] 934it [20:55, 1.34s/it] 935it [20:57, 1.34s/it] 936it [20:58, 1.34s/it] 937it [20:59, 1.34s/it] 938it [21:01, 1.34s/it] 939it [21:02, 1.34s/it] 940it [21:03, 1.35s/it] 941it [21:05, 1.35s/it] 942it [21:06, 1.35s/it] 943it [21:07, 1.35s/it] 944it [21:09, 1.35s/it] 945it [21:10, 1.35s/it] 946it [21:11, 1.35s/it] 947it [21:13, 1.35s/it] 948it [21:14, 1.35s/it] 949it [21:15, 1.34s/it] 950it [21:17, 1.34s/it] 951it [21:18, 1.34s/it] 952it [21:19, 1.34s/it] 953it [21:21, 1.35s/it] 954it [21:22, 1.35s/it] 955it [21:23, 1.35s/it] 956it [21:25, 1.35s/it] 957it [21:26, 1.35s/it] 958it [21:28, 1.35s/it] 959it [21:29, 1.35s/it] 960it [21:30, 1.35s/it] 961it [21:32, 1.35s/it] 962it [21:33, 1.35s/it] 963it [21:34, 1.34s/it] 964it [21:36, 1.33s/it] 965it [21:37, 1.33s/it] 966it [21:38, 1.33s/it] 967it [21:40, 1.33s/it] 968it [21:41, 1.33s/it] 969it [21:42, 1.33s/it] 970it [21:44, 1.33s/it] 971it [21:45, 1.33s/it] 972it [21:46, 1.33s/it] 973it [21:48, 1.33s/it] 974it [21:49, 1.33s/it] 975it [21:50, 1.33s/it] 976it [21:52, 1.32s/it] 977it [21:53, 1.32s/it] 978it [21:54, 1.32s/it] 979it [21:55, 1.32s/it] 980it [21:57, 1.32s/it] 981it [21:58, 1.31s/it] 982it [21:59, 1.31s/it] 983it [22:01, 1.30s/it] 984it [22:02, 1.30s/it] 985it [22:03, 1.30s/it] 986it [22:05, 1.30s/it] 987it [22:06, 1.30s/it] 988it [22:07, 1.30s/it] 989it [22:08, 1.30s/it] 990it [22:10, 1.30s/it] 991it [22:11, 1.30s/it] 992it [22:12, 1.31s/it] 993it [22:14, 1.30s/it] 994it [22:15, 1.31s/it] 995it [22:16, 1.30s/it] 996it [22:18, 1.30s/it] 997it [22:19, 1.30s/it] 998it [22:20, 1.30s/it] 999it [22:21, 1.30s/it] 1000it [22:23, 1.30s/it] 1000it [22:23, 1.34s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:34.399038 +⏰ Completed process in 0:22:23.858837 diff --git a/chunked/d4-dock_011.csv.gz b/chunked/d4-dock_011.csv.gz index dbf37bcb7da74edc5f6da1a35ee272cd3e5c148b..f8b555466980e25448fb3b77d4731d730636014c 100644 --- a/chunked/d4-dock_011.csv.gz +++ b/chunked/d4-dock_011.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:ad7c7208153e863ed0a0660248c9754da4f534fa9381eaba41f3f14929067dcc -size 37019065 +oid sha256:77a6ea8644251ec1a54e1063588eebe9758c6982fc528dcad72bf9d60aef369a +size 37019047 diff --git a/chunked/d4-dock_011.log b/chunked/d4-dock_011.log index a73e364951704b1cc8af4c94a6069c7ecba4ded8..7b79428d6fec1b71c77ed63ada705cfb0a5d0734 100644 --- a/chunked/d4-dock_011.log +++ b/chunked/d4-dock_011.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.37s/it] 2it [00:02, 1.37s/it] 3it [00:04, 1.35s/it] 4it [00:05, 1.35s/it] 5it [00:06, 1.35s/it] 6it [00:08, 1.35s/it] 7it [00:09, 1.35s/it] 8it [00:10, 1.35s/it] 9it [00:12, 1.35s/it] 10it [00:13, 1.35s/it] 11it [00:14, 1.35s/it] 12it [00:16, 1.35s/it] 13it [00:17, 1.35s/it] 14it [00:18, 1.35s/it] 15it [00:20, 1.35s/it] 16it [00:21, 1.35s/it] 17it [00:22, 1.35s/it] 18it [00:24, 1.35s/it] 19it [00:25, 1.35s/it] 20it [00:26, 1.35s/it] 21it [00:28, 1.35s/it] 22it [00:29, 1.35s/it] 23it [00:31, 1.35s/it] 24it [00:32, 1.35s/it] 25it [00:33, 1.35s/it] 26it [00:35, 1.35s/it] 27it [00:36, 1.35s/it] 28it [00:37, 1.35s/it] 29it [00:39, 1.35s/it] 30it [00:40, 1.35s/it] 31it [00:41, 1.35s/it] 32it [00:43, 1.35s/it] 33it [00:44, 1.35s/it] 34it [00:45, 1.35s/it] 35it [00:47, 1.35s/it] 36it [00:48, 1.35s/it] 37it [00:49, 1.34s/it] 38it [00:51, 1.34s/it] 39it [00:52, 1.34s/it] 40it [00:53, 1.34s/it] 41it [00:55, 1.34s/it] 42it [00:56, 1.34s/it] 43it [00:57, 1.34s/it] 44it [00:59, 1.34s/it] 45it [01:00, 1.35s/it] 46it [01:01, 1.35s/it] 47it [01:03, 1.35s/it] 48it [01:04, 1.35s/it] 49it [01:06, 1.36s/it] 50it [01:07, 1.36s/it] 51it [01:08, 1.36s/it] 52it [01:10, 1.35s/it] 53it [01:11, 1.35s/it] 54it [01:12, 1.35s/it] 55it [01:14, 1.35s/it] 56it [01:15, 1.35s/it] 57it [01:16, 1.35s/it] 58it [01:18, 1.35s/it] 59it [01:19, 1.35s/it] 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1.38s/it] 973it [22:20, 1.38s/it] 974it [22:22, 1.37s/it] 975it [22:23, 1.38s/it] 976it [22:25, 1.38s/it] 977it [22:26, 1.39s/it] 978it [22:27, 1.38s/it] 979it [22:29, 1.38s/it] 980it [22:30, 1.37s/it] 981it [22:31, 1.38s/it] 982it [22:33, 1.39s/it] 983it [22:34, 1.39s/it] 984it [22:36, 1.40s/it] 985it [22:37, 1.40s/it] 986it [22:39, 1.41s/it] 987it [22:40, 1.41s/it] 988it [22:41, 1.41s/it] 989it [22:43, 1.40s/it] 990it [22:44, 1.40s/it] 991it [22:46, 1.40s/it] 992it [22:47, 1.39s/it] 993it [22:48, 1.40s/it] 994it [22:50, 1.40s/it] 995it [22:51, 1.40s/it] 996it [22:53, 1.40s/it] 997it [22:54, 1.40s/it] 998it [22:55, 1.40s/it] 999it [22:57, 1.40s/it] 1000it [22:58, 1.40s/it] 1000it [22:58, 1.38s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:37.508337 +⏰ Completed process in 0:22:59.087410 diff --git a/chunked/d4-dock_012.csv.gz b/chunked/d4-dock_012.csv.gz index 9b86d8cc6599227f682099b6e94d823a338b43e7..4ff1e7ee14a0413f202a92d1e88e7c4551bf63a3 100644 --- a/chunked/d4-dock_012.csv.gz +++ b/chunked/d4-dock_012.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:0724f18747bec61e6e324cbcd22c15703dcae8e67d32b58a27c69397efc4d985 -size 35115068 +oid sha256:9df293264837fd269d2ca215d134f39ce6267064560691677f7ecb29a7d3f054 +size 35115038 diff --git a/chunked/d4-dock_012.log b/chunked/d4-dock_012.log index ef6515f42799209e3ee098830c8d858b6908208e..a8eff95f3e05797905e8236112b990abe5da1c89 100644 --- a/chunked/d4-dock_012.log +++ b/chunked/d4-dock_012.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.38s/it] 2it [00:02, 1.37s/it] 3it [00:04, 1.35s/it] 4it [00:05, 1.36s/it] 5it [00:06, 1.35s/it] 6it [00:08, 1.35s/it] 7it [00:09, 1.34s/it] 8it [00:10, 1.34s/it] 9it [00:12, 1.35s/it] 10it [00:13, 1.35s/it] 11it [00:14, 1.35s/it] 12it [00:16, 1.35s/it] 13it [00:17, 1.35s/it] 14it [00:18, 1.36s/it] 15it [00:20, 1.36s/it] 16it [00:21, 1.35s/it] 17it [00:22, 1.35s/it] 18it [00:24, 1.35s/it] 19it [00:25, 1.35s/it] 20it [00:27, 1.35s/it] 21it [00:28, 1.35s/it] 22it [00:29, 1.36s/it] 23it [00:31, 1.35s/it] 24it [00:32, 1.36s/it] 25it [00:33, 1.36s/it] 26it [00:35, 1.36s/it] 27it [00:36, 1.36s/it] 28it [00:37, 1.37s/it] 29it [00:39, 1.37s/it] 30it [00:40, 1.37s/it] 31it [00:42, 1.36s/it] 32it [00:43, 1.37s/it] 33it [00:44, 1.37s/it] 34it [00:46, 1.36s/it] 35it [00:47, 1.36s/it] 36it [00:48, 1.36s/it] 37it [00:50, 1.36s/it] 38it [00:51, 1.36s/it] 39it [00:52, 1.36s/it] 40it [00:54, 1.36s/it] 41it [00:55, 1.36s/it] 42it [00:56, 1.35s/it] 43it [00:58, 1.35s/it] 44it [00:59, 1.36s/it] 45it [01:01, 1.36s/it] 46it [01:02, 1.36s/it] 47it [01:03, 1.36s/it] 48it [01:05, 1.35s/it] 49it [01:06, 1.35s/it] 50it [01:07, 1.35s/it] 51it [01:09, 1.36s/it] 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[21:18, 1.42s/it] 925it [21:19, 1.42s/it] 926it [21:21, 1.42s/it] 927it [21:22, 1.43s/it] 928it [21:24, 1.43s/it] 929it [21:25, 1.43s/it] 930it [21:26, 1.43s/it] 931it [21:28, 1.44s/it] 932it [21:29, 1.43s/it] 933it [21:31, 1.42s/it] 934it [21:32, 1.42s/it] 935it [21:33, 1.42s/it] 936it [21:35, 1.41s/it] 937it [21:36, 1.42s/it] 938it [21:38, 1.41s/it] 939it [21:39, 1.41s/it] 940it [21:41, 1.42s/it] 941it [21:42, 1.41s/it] 942it [21:43, 1.42s/it] 943it [21:45, 1.42s/it] 944it [21:46, 1.41s/it] 945it [21:48, 1.41s/it] 946it [21:49, 1.41s/it] 947it [21:50, 1.42s/it] 948it [21:52, 1.41s/it] 949it [21:53, 1.41s/it] 950it [21:55, 1.41s/it] 951it [21:56, 1.41s/it] 952it [21:58, 1.41s/it] 953it [21:59, 1.42s/it] 954it [22:00, 1.42s/it] 955it [22:02, 1.41s/it] 956it [22:03, 1.41s/it] 957it [22:05, 1.41s/it] 958it [22:06, 1.41s/it] 959it [22:07, 1.41s/it] 960it [22:09, 1.41s/it] 961it [22:10, 1.41s/it] 962it [22:12, 1.41s/it] 963it [22:13, 1.41s/it] 964it [22:14, 1.40s/it] 965it [22:16, 1.40s/it] 966it [22:17, 1.40s/it] 967it [22:19, 1.41s/it] 968it [22:20, 1.41s/it] 969it [22:21, 1.40s/it] 970it [22:23, 1.41s/it] 971it [22:24, 1.42s/it] 972it [22:26, 1.42s/it] 973it [22:27, 1.42s/it] 974it [22:29, 1.42s/it] 975it [22:30, 1.42s/it] 976it [22:31, 1.41s/it] 977it [22:33, 1.41s/it] 978it [22:34, 1.41s/it] 979it [22:36, 1.41s/it] 980it [22:37, 1.40s/it] 981it [22:38, 1.40s/it] 982it [22:40, 1.40s/it] 983it [22:41, 1.40s/it] 984it [22:43, 1.39s/it] 985it [22:44, 1.40s/it] 986it [22:45, 1.40s/it] 987it [22:47, 1.40s/it] 988it [22:48, 1.40s/it] 989it [22:50, 1.40s/it] 990it [22:51, 1.40s/it] 991it [22:52, 1.40s/it] 992it [22:54, 1.40s/it] 993it [22:55, 1.41s/it] 994it [22:57, 1.41s/it] 995it [22:58, 1.41s/it] 996it [22:59, 1.41s/it] 997it [23:01, 1.41s/it] 998it [23:02, 1.40s/it] 999it [23:04, 1.41s/it] 1000it [23:05, 1.40s/it] 1000it [23:05, 1.39s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:32.197440 +⏰ Completed process in 0:23:06.165193 diff --git a/chunked/d4-dock_013.csv.gz b/chunked/d4-dock_013.csv.gz index 984fa3b2c6ab04ff29aafb4e15a3cbed8350012a..a8358628c9ec30fb154782ac3a1842096e5cbcdd 100644 --- a/chunked/d4-dock_013.csv.gz +++ b/chunked/d4-dock_013.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:baef4ecee711ac645d7195aa2a1d2b7a5ae197fce8a304ae629d434392c0f131 -size 36727919 +oid sha256:bad5638d431448ddf40262e0f1b920bf08e5382cb1245412fbbab72c20faaa58 +size 36727892 diff --git a/chunked/d4-dock_013.log b/chunked/d4-dock_013.log index 5b956c634c3ed7d853728d2a35319e505f4bf786..8697bada6c81b8eb105e1574c4a8ff80f0df32f0 100644 --- a/chunked/d4-dock_013.log +++ b/chunked/d4-dock_013.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.40s/it] 2it [00:02, 1.39s/it] 3it [00:04, 1.39s/it] 4it [00:05, 1.39s/it] 5it [00:06, 1.39s/it] 6it [00:08, 1.38s/it] 7it [00:09, 1.38s/it] 8it [00:11, 1.38s/it] 9it [00:12, 1.38s/it] 10it [00:13, 1.38s/it] 11it [00:15, 1.38s/it] 12it [00:16, 1.38s/it] 13it [00:17, 1.38s/it] 14it [00:19, 1.38s/it] 15it [00:20, 1.38s/it] 16it [00:22, 1.38s/it] 17it [00:23, 1.38s/it] 18it [00:24, 1.38s/it] 19it [00:26, 1.38s/it] 20it [00:27, 1.38s/it] 21it [00:29, 1.38s/it] 22it [00:30, 1.39s/it] 23it [00:31, 1.38s/it] 24it [00:33, 1.38s/it] 25it [00:34, 1.38s/it] 26it [00:35, 1.38s/it] 27it [00:37, 1.38s/it] 28it [00:38, 1.39s/it] 29it [00:40, 1.39s/it] 30it [00:41, 1.38s/it] 31it [00:42, 1.38s/it] 32it [00:44, 1.39s/it] 33it [00:45, 1.39s/it] 34it [00:47, 1.39s/it] 35it [00:48, 1.38s/it] 36it [00:49, 1.38s/it] 37it [00:51, 1.38s/it] 38it [00:52, 1.38s/it] 39it [00:53, 1.38s/it] 40it [00:55, 1.38s/it] 41it [00:56, 1.38s/it] 42it [00:58, 1.39s/it] 43it [00:59, 1.39s/it] 44it [01:00, 1.38s/it] 45it [01:02, 1.39s/it] 46it [01:03, 1.39s/it] 47it 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1.39s/it] 671it [15:30, 1.39s/it] 672it [15:31, 1.39s/it] 673it [15:32, 1.39s/it] 674it [15:34, 1.38s/it] 675it [15:35, 1.39s/it] 676it [15:37, 1.39s/it] 677it [15:38, 1.39s/it] 678it [15:39, 1.39s/it] 679it [15:41, 1.40s/it] 680it [15:42, 1.40s/it] 681it [15:44, 1.40s/it] 682it [15:45, 1.39s/it] 683it [15:46, 1.39s/it] 684it [15:48, 1.39s/it] 685it [15:49, 1.39s/it] 686it [15:51, 1.39s/it] 687it [15:52, 1.39s/it] 688it [15:53, 1.38s/it] 689it [15:55, 1.38s/it] 690it [15:56, 1.39s/it] 691it [15:57, 1.39s/it] 692it [15:59, 1.39s/it] 693it [16:00, 1.39s/it] 694it [16:02, 1.39s/it] 695it [16:03, 1.38s/it] 696it [16:04, 1.38s/it] 697it [16:06, 1.38s/it] 698it [16:07, 1.39s/it] 699it [16:09, 1.39s/it] 700it [16:10, 1.38s/it] 701it [16:11, 1.39s/it] 702it [16:13, 1.39s/it] 703it [16:14, 1.39s/it] 704it [16:16, 1.40s/it] 705it [16:17, 1.39s/it] 706it [16:18, 1.38s/it] 707it [16:20, 1.38s/it] 708it [16:21, 1.38s/it] 709it [16:22, 1.38s/it] 710it [16:24, 1.38s/it] 711it [16:25, 1.38s/it] 712it 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1.38s/it] 754it [17:25, 1.38s/it] 755it [17:26, 1.38s/it] 756it [17:27, 1.38s/it] 757it [17:29, 1.38s/it] 758it [17:30, 1.38s/it] 759it [17:31, 1.38s/it] 760it [17:33, 1.38s/it] 761it [17:34, 1.38s/it] 762it [17:36, 1.38s/it] 763it [17:37, 1.38s/it] 764it [17:38, 1.38s/it] 765it [17:40, 1.38s/it] 766it [17:41, 1.38s/it] 767it [17:42, 1.38s/it] 768it [17:44, 1.38s/it] 769it [17:45, 1.38s/it] 770it [17:47, 1.38s/it] 771it [17:48, 1.37s/it] 772it [17:49, 1.38s/it] 773it [17:51, 1.37s/it] 774it [17:52, 1.38s/it] 775it [17:53, 1.38s/it] 776it [17:55, 1.38s/it] 777it [17:56, 1.38s/it] 778it [17:58, 1.38s/it] 779it [17:59, 1.38s/it] 780it [18:00, 1.38s/it] 781it [18:02, 1.37s/it] 782it [18:03, 1.38s/it] 783it [18:04, 1.37s/it] 784it [18:06, 1.37s/it] 785it [18:07, 1.37s/it] 786it [18:09, 1.37s/it] 787it [18:10, 1.38s/it] 788it [18:11, 1.38s/it] 789it [18:13, 1.38s/it] 790it [18:14, 1.38s/it] 791it [18:15, 1.38s/it] 792it [18:17, 1.38s/it] 793it [18:18, 1.38s/it] 794it [18:20, 1.37s/it] 795it [18:21, 1.37s/it] 796it [18:22, 1.37s/it] 797it [18:24, 1.37s/it] 798it [18:25, 1.38s/it] 799it [18:26, 1.38s/it] 800it [18:28, 1.38s/it] 801it [18:29, 1.38s/it] 802it [18:31, 1.38s/it] 803it [18:32, 1.38s/it] 804it [18:33, 1.38s/it] 805it [18:35, 1.38s/it] 806it [18:36, 1.37s/it] 807it [18:37, 1.38s/it] 808it [18:39, 1.37s/it] 809it [18:40, 1.38s/it] 810it [18:42, 1.38s/it] 811it [18:43, 1.37s/it] 812it [18:44, 1.37s/it] 813it [18:46, 1.37s/it] 814it [18:47, 1.38s/it] 815it [18:48, 1.37s/it] 816it [18:50, 1.37s/it] 817it [18:51, 1.37s/it] 818it [18:53, 1.37s/it] 819it [18:54, 1.37s/it] 820it [18:55, 1.37s/it] 821it [18:57, 1.37s/it] 822it [18:58, 1.37s/it] 823it [18:59, 1.37s/it] 824it [19:01, 1.37s/it] 825it [19:02, 1.37s/it] 826it [19:04, 1.37s/it] 827it [19:05, 1.38s/it] 828it [19:06, 1.38s/it] 829it [19:08, 1.38s/it] 830it [19:09, 1.38s/it] 831it [19:11, 1.38s/it] 832it [19:12, 1.38s/it] 833it [19:13, 1.37s/it] 834it [19:15, 1.37s/it] 835it [19:16, 1.38s/it] 836it [19:17, 1.38s/it] 837it [19:19, 1.37s/it] 838it [19:20, 1.37s/it] 839it [19:21, 1.37s/it] 840it [19:23, 1.37s/it] 841it [19:24, 1.38s/it] 842it [19:26, 1.37s/it] 843it [19:27, 1.38s/it] 844it [19:28, 1.37s/it] 845it [19:30, 1.38s/it] 846it [19:31, 1.37s/it] 847it [19:32, 1.37s/it] 848it [19:34, 1.37s/it] 849it [19:35, 1.37s/it] 850it [19:37, 1.37s/it] 851it [19:38, 1.37s/it] 852it [19:39, 1.37s/it] 853it [19:41, 1.36s/it] 854it [19:42, 1.37s/it] 855it [19:43, 1.37s/it] 856it [19:45, 1.37s/it] 857it [19:46, 1.37s/it] 858it [19:47, 1.37s/it] 859it [19:49, 1.37s/it] 860it [19:50, 1.37s/it] 861it [19:52, 1.37s/it] 862it [19:53, 1.37s/it] 863it [19:54, 1.37s/it] 864it [19:56, 1.37s/it] 865it [19:57, 1.37s/it] 866it [19:58, 1.37s/it] 867it [20:00, 1.37s/it] 868it [20:01, 1.38s/it] 869it [20:03, 1.38s/it] 870it [20:04, 1.38s/it] 871it [20:05, 1.37s/it] 872it [20:07, 1.37s/it] 873it [20:08, 1.37s/it] 874it [20:09, 1.37s/it] 875it [20:11, 1.37s/it] 876it [20:12, 1.38s/it] 877it [20:14, 1.38s/it] 878it [20:15, 1.38s/it] 879it [20:16, 1.38s/it] 880it [20:18, 1.38s/it] 881it [20:19, 1.38s/it] 882it [20:20, 1.38s/it] 883it [20:22, 1.38s/it] 884it [20:23, 1.38s/it] 885it [20:25, 1.38s/it] 886it [20:26, 1.38s/it] 887it [20:27, 1.38s/it] 888it [20:29, 1.38s/it] 889it [20:30, 1.38s/it] 890it [20:32, 1.38s/it] 891it [20:33, 1.38s/it] 892it [20:34, 1.38s/it] 893it [20:36, 1.38s/it] 894it [20:37, 1.38s/it] 895it [20:38, 1.38s/it] 896it [20:40, 1.38s/it] 897it [20:41, 1.38s/it] 898it [20:43, 1.37s/it] 899it [20:44, 1.38s/it] 900it [20:45, 1.38s/it] 901it [20:47, 1.37s/it] 902it [20:48, 1.37s/it] 903it [20:49, 1.38s/it] 904it [20:51, 1.37s/it] 905it [20:52, 1.38s/it] 906it [20:54, 1.37s/it] 907it [20:55, 1.37s/it] 908it [20:56, 1.37s/it] 909it [20:58, 1.37s/it] 910it [20:59, 1.38s/it] 911it [21:00, 1.38s/it] 912it [21:02, 1.38s/it] 913it [21:03, 1.38s/it] 914it [21:05, 1.38s/it] 915it [21:06, 1.38s/it] 916it [21:07, 1.38s/it] 917it [21:09, 1.38s/it] 918it [21:10, 1.38s/it] 919it [21:11, 1.37s/it] 920it [21:13, 1.36s/it] 921it [21:14, 1.36s/it] 922it [21:16, 1.37s/it] 923it [21:17, 1.37s/it] 924it [21:18, 1.37s/it] 925it [21:20, 1.36s/it] 926it [21:21, 1.36s/it] 927it [21:22, 1.36s/it] 928it [21:24, 1.36s/it] 929it [21:25, 1.36s/it] 930it [21:26, 1.36s/it] 931it [21:28, 1.36s/it] 932it [21:29, 1.37s/it] 933it [21:31, 1.37s/it] 934it [21:32, 1.37s/it] 935it [21:33, 1.36s/it] 936it [21:35, 1.36s/it] 937it [21:36, 1.36s/it] 938it [21:37, 1.37s/it] 939it [21:39, 1.37s/it] 940it [21:40, 1.37s/it] 941it [21:41, 1.37s/it] 942it [21:43, 1.37s/it] 943it [21:44, 1.37s/it] 944it [21:46, 1.37s/it] 945it [21:47, 1.36s/it] 946it [21:48, 1.36s/it] 947it [21:50, 1.36s/it] 948it [21:51, 1.37s/it] 949it [21:52, 1.37s/it] 950it [21:54, 1.37s/it] 951it [21:55, 1.37s/it] 952it [21:57, 1.37s/it] 953it [21:58, 1.36s/it] 954it [21:59, 1.36s/it] 955it [22:01, 1.36s/it] 956it [22:02, 1.35s/it] 957it [22:03, 1.36s/it] 958it [22:05, 1.36s/it] 959it [22:06, 1.36s/it] 960it [22:07, 1.36s/it] 961it [22:09, 1.36s/it] 962it [22:10, 1.36s/it] 963it [22:11, 1.36s/it] 964it [22:13, 1.36s/it] 965it [22:14, 1.36s/it] 966it [22:15, 1.36s/it] 967it [22:17, 1.36s/it] 968it [22:18, 1.36s/it] 969it [22:20, 1.36s/it] 970it [22:21, 1.35s/it] 971it [22:22, 1.36s/it] 972it [22:24, 1.36s/it] 973it [22:25, 1.36s/it] 974it [22:26, 1.36s/it] 975it [22:28, 1.36s/it] 976it [22:29, 1.36s/it] 977it [22:30, 1.36s/it] 978it [22:32, 1.36s/it] 979it [22:33, 1.36s/it] 980it [22:35, 1.36s/it] 981it [22:36, 1.35s/it] 982it [22:37, 1.35s/it] 983it [22:39, 1.35s/it] 984it [22:40, 1.35s/it] 985it [22:41, 1.35s/it] 986it [22:43, 1.35s/it] 987it [22:44, 1.35s/it] 988it [22:45, 1.35s/it] 989it [22:47, 1.35s/it] 990it [22:48, 1.34s/it] 991it [22:49, 1.35s/it] 992it [22:51, 1.35s/it] 993it [22:52, 1.35s/it] 994it [22:53, 1.35s/it] 995it [22:55, 1.35s/it] 996it [22:56, 1.35s/it] 997it [22:57, 1.35s/it] 998it [22:59, 1.35s/it] 999it [23:00, 1.35s/it] 1000it [23:02, 1.35s/it] 1000it [23:02, 1.38s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:56.023123 +⏰ Completed process in 0:23:02.586430 diff --git a/chunked/d4-dock_014.csv.gz b/chunked/d4-dock_014.csv.gz index 67c049a0d0d28c843a9a55e4f2be0e31928e72af..8b83aa286003da20f3613bba8c6450aa28c0b086 100644 --- a/chunked/d4-dock_014.csv.gz +++ b/chunked/d4-dock_014.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:7dfacec9693024c6e9316725f43a9dd6376da1288615f30e6c11d22bf83e8d88 -size 35948155 +oid sha256:5f6f46e944ec70eb03c3be365f528952af833075bbd3836931bfdc3c2b05e691 +size 35948187 diff --git a/chunked/d4-dock_014.log b/chunked/d4-dock_014.log index 0261f98014707bc50da91a79ddb8db49c5b5f8bd..1f22168f6e2d66d965499bee41ca381f3b1f6967 100644 --- a/chunked/d4-dock_014.log +++ b/chunked/d4-dock_014.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.38s/it] 2it [00:02, 1.38s/it] 3it [00:04, 1.39s/it] 4it [00:05, 1.40s/it] 5it [00:06, 1.40s/it] 6it [00:08, 1.40s/it] 7it [00:09, 1.39s/it] 8it [00:11, 1.40s/it] 9it [00:12, 1.39s/it] 10it [00:13, 1.40s/it] 11it [00:15, 1.41s/it] 12it [00:16, 1.40s/it] 13it [00:18, 1.40s/it] 14it [00:19, 1.40s/it] 15it [00:20, 1.41s/it] 16it [00:22, 1.40s/it] 17it [00:23, 1.41s/it] 18it [00:25, 1.40s/it] 19it [00:26, 1.39s/it] 20it [00:27, 1.39s/it] 21it [00:29, 1.39s/it] 22it [00:30, 1.39s/it] 23it [00:32, 1.39s/it] 24it [00:33, 1.40s/it] 25it [00:34, 1.39s/it] 26it [00:36, 1.39s/it] 27it [00:37, 1.39s/it] 28it [00:39, 1.39s/it] 29it [00:40, 1.39s/it] 30it [00:41, 1.38s/it] 31it [00:43, 1.38s/it] 32it [00:44, 1.38s/it] 33it [00:45, 1.39s/it] 34it [00:47, 1.40s/it] 35it [00:48, 1.40s/it] 36it [00:50, 1.40s/it] 37it [00:51, 1.40s/it] 38it [00:52, 1.40s/it] 39it [00:54, 1.40s/it] 40it [00:55, 1.40s/it] 41it [00:57, 1.39s/it] 42it [00:58, 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1.31s/it] 874it [19:29, 1.31s/it] 875it [19:30, 1.30s/it] 876it [19:32, 1.30s/it] 877it [19:33, 1.30s/it] 878it [19:34, 1.30s/it] 879it [19:35, 1.30s/it] 880it [19:37, 1.31s/it] 881it [19:38, 1.31s/it] 882it [19:39, 1.30s/it] 883it [19:41, 1.29s/it] 884it [19:42, 1.29s/it] 885it [19:43, 1.30s/it] 886it [19:45, 1.29s/it] 887it [19:46, 1.29s/it] 888it [19:47, 1.29s/it] 889it [19:48, 1.28s/it] 890it [19:50, 1.28s/it] 891it [19:51, 1.28s/it] 892it [19:52, 1.28s/it] 893it [19:54, 1.29s/it] 894it [19:55, 1.29s/it] 895it [19:56, 1.29s/it] 896it [19:57, 1.29s/it] 897it [19:59, 1.30s/it] 898it [20:00, 1.29s/it] 899it [20:01, 1.30s/it] 900it [20:03, 1.29s/it] 901it [20:04, 1.29s/it] 902it [20:05, 1.29s/it] 903it [20:06, 1.28s/it] 904it [20:08, 1.29s/it] 905it [20:09, 1.29s/it] 906it [20:10, 1.29s/it] 907it [20:12, 1.29s/it] 908it [20:13, 1.28s/it] 909it [20:14, 1.28s/it] 910it [20:15, 1.27s/it] 911it [20:17, 1.28s/it] 912it [20:18, 1.29s/it] 913it [20:19, 1.29s/it] 914it [20:21, 1.29s/it] 915it 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1.26s/it] 957it [21:15, 1.24s/it] 958it [21:16, 1.23s/it] 959it [21:18, 1.23s/it] 960it [21:19, 1.22s/it] 961it [21:20, 1.22s/it] 962it [21:21, 1.23s/it] 963it [21:23, 1.23s/it] 964it [21:24, 1.23s/it] 965it [21:25, 1.22s/it] 966it [21:26, 1.22s/it] 967it [21:27, 1.22s/it] 968it [21:29, 1.22s/it] 969it [21:30, 1.22s/it] 970it [21:31, 1.22s/it] 971it [21:32, 1.22s/it] 972it [21:34, 1.22s/it] 973it [21:35, 1.21s/it] 974it [21:36, 1.22s/it] 975it [21:37, 1.22s/it] 976it [21:38, 1.23s/it] 977it [21:40, 1.23s/it] 978it [21:41, 1.23s/it] 979it [21:42, 1.23s/it] 980it [21:43, 1.23s/it] 981it [21:45, 1.24s/it] 982it [21:46, 1.26s/it] 983it [21:47, 1.23s/it] 984it [21:48, 1.22s/it] 985it [21:50, 1.24s/it] 986it [21:51, 1.26s/it] 987it [21:52, 1.27s/it] 988it [21:53, 1.28s/it] 989it [21:55, 1.29s/it] 990it [21:56, 1.28s/it] 991it [21:57, 1.27s/it] 992it [21:59, 1.27s/it] 993it [22:00, 1.27s/it] 994it [22:01, 1.26s/it] 995it [22:02, 1.26s/it] 996it [22:04, 1.25s/it] 997it [22:05, 1.26s/it] 998it [22:06, 1.27s/it] 999it [22:07, 1.28s/it] 1000it [22:09, 1.29s/it] 1000it [22:09, 1.33s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:23:14.210133 +⏰ Completed process in 0:22:09.795465 diff --git a/chunked/d4-dock_015.csv.gz b/chunked/d4-dock_015.csv.gz index b68234ce761cea1cfd677a0a58a836e25e57f873..350c4f847e63aa9c94d03ca45cde61ab909abb6b 100644 --- a/chunked/d4-dock_015.csv.gz +++ b/chunked/d4-dock_015.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:c7a7c091f92a95b1ecd08338fc06bf1d75c7f048d48b57dc5e943e366d4dd2a2 -size 32997781 +oid sha256:48c8776c20c9e7aa105b84cfa69cb1cacbbcd9c6a9cba3f9d57e1c92d48b97b6 +size 32997722 diff --git a/chunked/d4-dock_015.log b/chunked/d4-dock_015.log index 16a458250183d2ec21e5e09c9f5f4c4bfdf42860..f46ad8e02ce46e3f404c0661cbde09aef6fedcd7 100644 --- a/chunked/d4-dock_015.log +++ b/chunked/d4-dock_015.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.35s/it] 2it [00:02, 1.34s/it] 3it [00:03, 1.33s/it] 4it [00:05, 1.32s/it] 5it [00:06, 1.32s/it] 6it [00:07, 1.32s/it] 7it [00:09, 1.31s/it] 8it [00:10, 1.32s/it] 9it [00:11, 1.32s/it] 10it [00:13, 1.33s/it] 11it [00:14, 1.34s/it] 12it [00:15, 1.34s/it] 13it [00:17, 1.34s/it] 14it [00:18, 1.34s/it] 15it [00:19, 1.35s/it] 16it [00:21, 1.33s/it] 17it [00:22, 1.30s/it] 18it [00:23, 1.29s/it] 19it [00:25, 1.28s/it] 20it [00:26, 1.29s/it] 21it [00:27, 1.29s/it] 22it [00:28, 1.31s/it] 23it [00:30, 1.32s/it] 24it [00:31, 1.35s/it] 25it [00:33, 1.36s/it] 26it [00:34, 1.37s/it] 27it [00:35, 1.37s/it] 28it [00:37, 1.37s/it] 29it [00:38, 1.36s/it] 30it [00:39, 1.36s/it] 31it [00:41, 1.33s/it] 32it [00:42, 1.34s/it] 33it [00:43, 1.34s/it] 34it [00:45, 1.33s/it] 35it [00:46, 1.34s/it] 36it [00:47, 1.34s/it] 37it [00:49, 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[14:45, 1.35s/it] 662it [14:47, 1.35s/it] 663it [14:48, 1.35s/it] 664it [14:50, 1.36s/it] 665it [14:51, 1.37s/it] 666it [14:52, 1.37s/it] 667it [14:54, 1.37s/it] 668it [14:55, 1.37s/it] 669it [14:56, 1.37s/it] 670it [14:58, 1.36s/it] 671it [14:59, 1.35s/it] 672it [15:00, 1.35s/it] 673it [15:02, 1.34s/it] 674it [15:03, 1.33s/it] 675it [15:04, 1.32s/it] 676it [15:06, 1.31s/it] 677it [15:07, 1.31s/it] 678it [15:08, 1.31s/it] 679it [15:10, 1.32s/it] 680it [15:11, 1.33s/it] 681it [15:12, 1.34s/it] 682it [15:14, 1.33s/it] 683it [15:15, 1.33s/it] 684it [15:16, 1.33s/it] 685it [15:18, 1.33s/it] 686it [15:19, 1.33s/it] 687it [15:20, 1.33s/it] 688it [15:22, 1.34s/it] 689it [15:23, 1.33s/it] 690it [15:24, 1.32s/it] 691it [15:26, 1.32s/it] 692it [15:27, 1.32s/it] 693it [15:28, 1.32s/it] 694it [15:30, 1.33s/it] 695it [15:31, 1.33s/it] 696it [15:32, 1.33s/it] 697it [15:34, 1.33s/it] 698it [15:35, 1.32s/it] 699it [15:36, 1.32s/it] 700it [15:38, 1.33s/it] 701it [15:39, 1.34s/it] 702it [15:40, 1.34s/it] 703it [15:42, 1.33s/it] 704it [15:43, 1.34s/it] 705it [15:44, 1.34s/it] 706it [15:46, 1.34s/it] 707it [15:47, 1.34s/it] 708it [15:48, 1.33s/it] 709it [15:50, 1.34s/it] 710it [15:51, 1.33s/it] 711it [15:52, 1.32s/it] 712it [15:54, 1.33s/it] 713it [15:55, 1.32s/it] 714it [15:56, 1.33s/it] 715it [15:58, 1.33s/it] 716it [15:59, 1.33s/it] 717it [16:00, 1.32s/it] 718it [16:02, 1.33s/it] 719it [16:03, 1.33s/it] 720it [16:04, 1.33s/it] 721it [16:06, 1.34s/it] 722it [16:07, 1.33s/it] 723it [16:08, 1.34s/it] 724it [16:10, 1.35s/it] 725it [16:11, 1.35s/it] 726it [16:12, 1.36s/it] 727it [16:14, 1.36s/it] 728it [16:15, 1.36s/it] 729it [16:16, 1.36s/it] 730it [16:18, 1.36s/it] 731it [16:19, 1.35s/it] 732it [16:20, 1.35s/it] 733it [16:22, 1.34s/it] 734it [16:23, 1.33s/it] 735it [16:24, 1.33s/it] 736it [16:26, 1.33s/it] 737it [16:27, 1.34s/it] 738it [16:28, 1.35s/it] 739it [16:30, 1.35s/it] 740it [16:31, 1.35s/it] 741it [16:32, 1.35s/it] 742it [16:34, 1.35s/it] 743it [16:35, 1.35s/it] 744it [16:36, 1.34s/it] 745it [16:38, 1.34s/it] 746it [16:39, 1.34s/it] 747it [16:40, 1.34s/it] 748it [16:42, 1.34s/it] 749it [16:43, 1.34s/it] 750it [16:45, 1.34s/it] 751it [16:46, 1.34s/it] 752it [16:47, 1.34s/it] 753it [16:49, 1.34s/it] 754it [16:50, 1.34s/it] 755it [16:51, 1.34s/it] 756it [16:53, 1.34s/it] 757it [16:54, 1.33s/it] 758it [16:55, 1.33s/it] 759it [16:57, 1.34s/it] 760it [16:58, 1.34s/it] 761it [16:59, 1.34s/it] 762it [17:01, 1.34s/it] 763it [17:02, 1.33s/it] 764it [17:03, 1.33s/it] 765it [17:05, 1.34s/it] 766it [17:06, 1.34s/it] 767it [17:07, 1.34s/it] 768it [17:09, 1.35s/it] 769it [17:10, 1.34s/it] 770it [17:11, 1.34s/it] 771it [17:13, 1.35s/it] 772it [17:14, 1.35s/it] 773it [17:15, 1.34s/it] 774it [17:17, 1.34s/it] 775it [17:18, 1.34s/it] 776it [17:19, 1.35s/it] 777it [17:21, 1.34s/it] 778it [17:22, 1.34s/it] 779it [17:23, 1.34s/it] 780it [17:25, 1.34s/it] 781it [17:26, 1.33s/it] 782it [17:27, 1.33s/it] 783it [17:29, 1.32s/it] 784it [17:30, 1.32s/it] 785it [17:31, 1.32s/it] 786it [17:33, 1.32s/it] 787it [17:34, 1.32s/it] 788it [17:35, 1.33s/it] 789it [17:37, 1.35s/it] 790it [17:38, 1.35s/it] 791it [17:39, 1.36s/it] 792it [17:41, 1.36s/it] 793it [17:42, 1.36s/it] 794it [17:43, 1.35s/it] 795it [17:45, 1.35s/it] 796it [17:46, 1.35s/it] 797it [17:48, 1.36s/it] 798it [17:49, 1.36s/it] 799it [17:50, 1.37s/it] 800it [17:52, 1.37s/it] 801it [17:53, 1.37s/it] 802it [17:54, 1.36s/it] 803it [17:56, 1.36s/it] 804it [17:57, 1.36s/it] 805it [17:58, 1.36s/it] 806it [18:00, 1.36s/it] 807it [18:01, 1.37s/it] 808it [18:03, 1.37s/it] 809it [18:04, 1.37s/it] 810it [18:05, 1.37s/it] 811it [18:07, 1.37s/it] 812it [18:08, 1.36s/it] 813it [18:09, 1.37s/it] 814it [18:11, 1.37s/it] 815it [18:12, 1.37s/it] 816it [18:14, 1.37s/it] 817it [18:15, 1.37s/it] 818it [18:16, 1.37s/it] 819it [18:18, 1.37s/it] 820it [18:19, 1.38s/it] 821it [18:20, 1.38s/it] 822it [18:22, 1.38s/it] 823it [18:23, 1.38s/it] 824it [18:25, 1.38s/it] 825it [18:26, 1.38s/it] 826it [18:27, 1.37s/it] 827it [18:29, 1.39s/it] 828it [18:30, 1.38s/it] 829it [18:31, 1.38s/it] 830it [18:33, 1.37s/it] 831it [18:34, 1.37s/it] 832it [18:36, 1.37s/it] 833it [18:37, 1.36s/it] 834it [18:38, 1.36s/it] 835it [18:40, 1.37s/it] 836it [18:41, 1.37s/it] 837it [18:42, 1.38s/it] 838it [18:44, 1.38s/it] 839it [18:45, 1.37s/it] 840it [18:47, 1.38s/it] 841it [18:48, 1.37s/it] 842it [18:49, 1.37s/it] 843it [18:51, 1.37s/it] 844it [18:52, 1.37s/it] 845it [18:53, 1.38s/it] 846it [18:55, 1.37s/it] 847it [18:56, 1.37s/it] 848it [18:57, 1.37s/it] 849it [18:59, 1.36s/it] 850it [19:00, 1.36s/it] 851it [19:02, 1.37s/it] 852it [19:03, 1.37s/it] 853it [19:04, 1.37s/it] 854it [19:06, 1.38s/it] 855it [19:07, 1.38s/it] 856it [19:08, 1.38s/it] 857it [19:10, 1.38s/it] 858it [19:11, 1.38s/it] 859it [19:13, 1.38s/it] 860it [19:14, 1.39s/it] 861it [19:15, 1.39s/it] 862it [19:17, 1.38s/it] 863it [19:18, 1.38s/it] 864it [19:20, 1.37s/it] 865it [19:21, 1.37s/it] 866it [19:22, 1.37s/it] 867it [19:24, 1.36s/it] 868it [19:25, 1.36s/it] 869it [19:26, 1.37s/it] 870it [19:28, 1.37s/it] 871it [19:29, 1.38s/it] 872it [19:31, 1.38s/it] 873it [19:32, 1.39s/it] 874it [19:33, 1.38s/it] 875it [19:35, 1.38s/it] 876it [19:36, 1.38s/it] 877it [19:37, 1.37s/it] 878it [19:39, 1.37s/it] 879it [19:40, 1.36s/it] 880it [19:41, 1.36s/it] 881it [19:43, 1.36s/it] 882it [19:44, 1.35s/it] 883it [19:45, 1.34s/it] 884it [19:47, 1.34s/it] 885it [19:48, 1.35s/it] 886it [19:50, 1.35s/it] 887it [19:51, 1.35s/it] 888it [19:52, 1.35s/it] 889it [19:54, 1.36s/it] 890it [19:55, 1.36s/it] 891it [19:56, 1.37s/it] 892it [19:58, 1.37s/it] 893it [19:59, 1.37s/it] 894it [20:00, 1.37s/it] 895it [20:02, 1.37s/it] 896it [20:03, 1.37s/it] 897it [20:05, 1.36s/it] 898it [20:06, 1.36s/it] 899it [20:07, 1.36s/it] 900it [20:09, 1.36s/it] 901it [20:10, 1.35s/it] 902it [20:11, 1.35s/it] 903it [20:13, 1.35s/it] 904it [20:14, 1.35s/it] 905it [20:15, 1.35s/it] 906it [20:17, 1.34s/it] 907it [20:18, 1.34s/it] 908it [20:19, 1.34s/it] 909it [20:21, 1.34s/it] 910it [20:22, 1.35s/it] 911it [20:23, 1.35s/it] 912it [20:25, 1.36s/it] 913it [20:26, 1.35s/it] 914it [20:27, 1.35s/it] 915it [20:29, 1.35s/it] 916it [20:30, 1.35s/it] 917it [20:32, 1.35s/it] 918it [20:33, 1.35s/it] 919it [20:34, 1.35s/it] 920it [20:36, 1.35s/it] 921it [20:37, 1.34s/it] 922it [20:38, 1.33s/it] 923it [20:40, 1.33s/it] 924it [20:41, 1.33s/it] 925it [20:42, 1.33s/it] 926it [20:44, 1.33s/it] 927it [20:45, 1.33s/it] 928it [20:46, 1.34s/it] 929it [20:48, 1.34s/it] 930it [20:49, 1.34s/it] 931it [20:50, 1.34s/it] 932it [20:52, 1.34s/it] 933it [20:53, 1.34s/it] 934it [20:54, 1.34s/it] 935it [20:56, 1.34s/it] 936it [20:57, 1.33s/it] 937it [20:58, 1.33s/it] 938it [21:00, 1.33s/it] 939it [21:01, 1.34s/it] 940it [21:02, 1.35s/it] 941it [21:04, 1.35s/it] 942it [21:05, 1.35s/it] 943it [21:06, 1.36s/it] 944it [21:08, 1.36s/it] 945it [21:09, 1.36s/it] 946it [21:10, 1.37s/it] 947it [21:12, 1.35s/it] 948it [21:13, 1.35s/it] 949it [21:15, 1.35s/it] 950it [21:16, 1.35s/it] 951it [21:17, 1.36s/it] 952it [21:19, 1.36s/it] 953it [21:20, 1.36s/it] 954it [21:21, 1.35s/it] 955it [21:23, 1.35s/it] 956it [21:24, 1.35s/it] 957it [21:25, 1.36s/it] 958it [21:27, 1.35s/it] 959it [21:28, 1.35s/it] 960it [21:29, 1.35s/it] 961it [21:31, 1.36s/it] 962it [21:32, 1.35s/it] 963it [21:33, 1.36s/it] 964it [21:35, 1.36s/it] 965it [21:36, 1.35s/it] 966it [21:38, 1.35s/it] 967it [21:39, 1.35s/it] 968it [21:40, 1.35s/it] 969it [21:42, 1.36s/it] 970it [21:43, 1.36s/it] 971it [21:44, 1.35s/it] 972it [21:46, 1.35s/it] 973it [21:47, 1.34s/it] 974it [21:48, 1.35s/it] 975it [21:50, 1.35s/it] 976it [21:51, 1.35s/it] 977it [21:52, 1.35s/it] 978it [21:54, 1.34s/it] 979it [21:55, 1.33s/it] 980it [21:56, 1.33s/it] 981it [21:58, 1.33s/it] 982it [21:59, 1.33s/it] 983it [22:00, 1.33s/it] 984it [22:02, 1.34s/it] 985it [22:03, 1.33s/it] 986it [22:04, 1.32s/it] 987it [22:06, 1.32s/it] 988it [22:07, 1.32s/it] 989it [22:08, 1.32s/it] 990it [22:10, 1.32s/it] 991it [22:11, 1.32s/it] 992it [22:12, 1.32s/it] 993it [22:13, 1.31s/it] 994it [22:15, 1.31s/it] 995it [22:16, 1.32s/it] 996it [22:17, 1.31s/it] 997it [22:19, 1.31s/it] 998it [22:20, 1.32s/it] 999it [22:21, 1.33s/it] 1000it [22:23, 1.33s/it] 1000it [22:23, 1.34s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:15.600828 +⏰ Completed process in 0:22:23.856724 diff --git a/chunked/d4-dock_016.csv.gz b/chunked/d4-dock_016.csv.gz index 34f5c477b01fc1a29af0166c36d71f3ea910efb0..5265374625687c05f2ff315ae3dfa24032fb193d 100644 --- a/chunked/d4-dock_016.csv.gz +++ b/chunked/d4-dock_016.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:028789d1ad5a2f4e9c926db67b197bc513674d5a356d1cf60e4a17b9f34c83d5 -size 34047310 +oid sha256:8d3247c1b23c79aa27c7d20ebdbe893261afdeadefbe92da0605d730734076b3 +size 34047327 diff --git a/chunked/d4-dock_016.log b/chunked/d4-dock_016.log index 57e804ed213a4533bf3fe2dcccacb79cbb212bb0..0db3298abe1c429df58dafa1c20742f8b983a072 100644 --- a/chunked/d4-dock_016.log +++ b/chunked/d4-dock_016.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.43s/it] 2it [00:02, 1.42s/it] 3it [00:04, 1.42s/it] 4it [00:05, 1.42s/it] 5it [00:07, 1.42s/it] 6it [00:08, 1.43s/it] 7it [00:09, 1.42s/it] 8it [00:11, 1.42s/it] 9it [00:12, 1.43s/it] 10it [00:14, 1.42s/it] 11it [00:15, 1.42s/it] 12it [00:17, 1.42s/it] 13it [00:18, 1.41s/it] 14it [00:19, 1.41s/it] 15it [00:21, 1.41s/it] 16it [00:22, 1.41s/it] 17it [00:24, 1.40s/it] 18it [00:25, 1.40s/it] 19it [00:26, 1.40s/it] 20it [00:28, 1.40s/it] 21it [00:29, 1.39s/it] 22it [00:31, 1.39s/it] 23it [00:32, 1.40s/it] 24it [00:33, 1.40s/it] 25it [00:35, 1.40s/it] 26it [00:36, 1.40s/it] 27it [00:38, 1.40s/it] 28it [00:39, 1.39s/it] 29it [00:40, 1.40s/it] 30it [00:42, 1.40s/it] 31it [00:43, 1.41s/it] 32it [00:45, 1.40s/it] 33it [00:46, 1.40s/it] 34it [00:47, 1.41s/it] 35it [00:49, 1.40s/it] 36it [00:50, 1.40s/it] 37it [00:52, 1.39s/it] 38it [00:53, 1.39s/it] 39it [00:54, 1.39s/it] 40it [00:56, 1.39s/it] 41it [00:57, 1.39s/it] 42it [00:58, 1.38s/it] 43it [01:00, 1.38s/it] 44it [01:01, 1.38s/it] 45it [01:03, 1.39s/it] 46it [01:04, 1.40s/it] 47it [01:05, 1.40s/it] 48it [01:07, 1.40s/it] 49it [01:08, 1.40s/it] 50it [01:10, 1.40s/it] 51it [01:11, 1.40s/it] 52it [01:12, 1.40s/it] 53it [01:14, 1.40s/it] 54it [01:15, 1.40s/it] 55it [01:17, 1.40s/it] 56it [01:18, 1.40s/it] 57it [01:19, 1.40s/it] 58it [01:21, 1.40s/it] 59it [01:22, 1.40s/it] 60it [01:24, 1.40s/it] 61it [01:25, 1.39s/it] 62it [01:26, 1.38s/it] 63it [01:28, 1.40s/it] 64it [01:29, 1.40s/it] 65it [01:31, 1.40s/it] 66it [01:32, 1.41s/it] 67it [01:33, 1.40s/it] 68it [01:35, 1.41s/it] 69it [01:36, 1.41s/it] 70it [01:38, 1.41s/it] 71it [01:39, 1.41s/it] 72it [01:40, 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[21:40, 1.38s/it] 944it [21:41, 1.38s/it] 945it [21:43, 1.39s/it] 946it [21:44, 1.38s/it] 947it [21:45, 1.37s/it] 948it [21:47, 1.37s/it] 949it [21:48, 1.36s/it] 950it [21:50, 1.37s/it] 951it [21:51, 1.36s/it] 952it [21:52, 1.35s/it] 953it [21:54, 1.35s/it] 954it [21:55, 1.35s/it] 955it [21:56, 1.35s/it] 956it [21:58, 1.34s/it] 957it [21:59, 1.34s/it] 958it [22:00, 1.35s/it] 959it [22:02, 1.35s/it] 960it [22:03, 1.36s/it] 961it [22:04, 1.35s/it] 962it [22:06, 1.36s/it] 963it [22:07, 1.36s/it] 964it [22:08, 1.36s/it] 965it [22:10, 1.36s/it] 966it [22:11, 1.36s/it] 967it [22:13, 1.36s/it] 968it [22:14, 1.37s/it] 969it [22:15, 1.37s/it] 970it [22:17, 1.37s/it] 971it [22:18, 1.37s/it] 972it [22:19, 1.37s/it] 973it [22:21, 1.37s/it] 974it [22:22, 1.37s/it] 975it [22:24, 1.37s/it] 976it [22:25, 1.37s/it] 977it [22:26, 1.38s/it] 978it [22:28, 1.37s/it] 979it [22:29, 1.37s/it] 980it [22:30, 1.38s/it] 981it [22:32, 1.37s/it] 982it [22:33, 1.38s/it] 983it [22:35, 1.38s/it] 984it [22:36, 1.38s/it] 985it [22:37, 1.38s/it] 986it [22:39, 1.38s/it] 987it [22:40, 1.37s/it] 988it [22:41, 1.37s/it] 989it [22:43, 1.36s/it] 990it [22:44, 1.36s/it] 991it [22:45, 1.35s/it] 992it [22:47, 1.35s/it] 993it [22:48, 1.35s/it] 994it [22:50, 1.35s/it] 995it [22:51, 1.35s/it] 996it [22:52, 1.36s/it] 997it [22:54, 1.36s/it] 998it [22:55, 1.36s/it] 999it [22:56, 1.36s/it] 1000it [22:58, 1.36s/it] 1000it [22:58, 1.38s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:23:22.738810 +⏰ Completed process in 0:22:58.707556 diff --git a/chunked/d4-dock_017.csv.gz b/chunked/d4-dock_017.csv.gz index 82d6ca49dc913410afef843a810f889d5baf739a..424f7a7af6a01c0316c88d4d55dace339502b022 100644 --- a/chunked/d4-dock_017.csv.gz +++ b/chunked/d4-dock_017.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:9ecd04b1a9d416b0c1b8a9226adef096104bd1f0acd44b7168bd940fc99543f3 -size 34795832 +oid sha256:375a723a9bbf15161358c4eb2f5a26b6691822255a8fa2d6a2742394a2323318 +size 34795844 diff --git a/chunked/d4-dock_017.log b/chunked/d4-dock_017.log index 8fd7ed55e229f8d488bef3438d3dfa48f388532e..dcf66f28d003dd7ac9eed5e6bda4db1442d2ec4e 100644 --- a/chunked/d4-dock_017.log +++ b/chunked/d4-dock_017.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.40s/it] 2it [00:02, 1.38s/it] 3it [00:04, 1.38s/it] 4it [00:05, 1.39s/it] 5it [00:06, 1.38s/it] 6it [00:08, 1.38s/it] 7it [00:09, 1.39s/it] 8it [00:11, 1.39s/it] 9it [00:12, 1.39s/it] 10it [00:13, 1.39s/it] 11it [00:15, 1.38s/it] 12it [00:16, 1.38s/it] 13it [00:17, 1.38s/it] 14it [00:19, 1.38s/it] 15it [00:20, 1.38s/it] 16it [00:22, 1.38s/it] 17it [00:23, 1.38s/it] 18it [00:24, 1.38s/it] 19it [00:26, 1.38s/it] 20it [00:27, 1.38s/it] 21it [00:29, 1.38s/it] 22it 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[17:36, 1.36s/it] 772it [17:37, 1.37s/it] 773it [17:38, 1.37s/it] 774it [17:40, 1.38s/it] 775it [17:41, 1.38s/it] 776it [17:43, 1.38s/it] 777it [17:44, 1.38s/it] 778it [17:45, 1.39s/it] 779it [17:47, 1.38s/it] 780it [17:48, 1.36s/it] 781it [17:49, 1.36s/it] 782it [17:51, 1.36s/it] 783it [17:52, 1.36s/it] 784it [17:53, 1.37s/it] 785it [17:55, 1.38s/it] 786it [17:56, 1.38s/it] 787it [17:58, 1.38s/it] 788it [17:59, 1.38s/it] 789it [18:00, 1.38s/it] 790it [18:02, 1.38s/it] 791it [18:03, 1.38s/it] 792it [18:04, 1.37s/it] 793it [18:06, 1.37s/it] 794it [18:07, 1.37s/it] 795it [18:09, 1.37s/it] 796it [18:10, 1.37s/it] 797it [18:11, 1.37s/it] 798it [18:13, 1.37s/it] 799it [18:14, 1.37s/it] 800it [18:15, 1.37s/it] 801it [18:17, 1.37s/it] 802it [18:18, 1.37s/it] 803it [18:20, 1.37s/it] 804it [18:21, 1.38s/it] 805it [18:22, 1.38s/it] 806it [18:24, 1.38s/it] 807it [18:25, 1.38s/it] 808it [18:26, 1.38s/it] 809it [18:28, 1.38s/it] 810it [18:29, 1.38s/it] 811it [18:31, 1.38s/it] 812it [18:32, 1.37s/it] 813it [18:33, 1.37s/it] 814it [18:35, 1.37s/it] 815it [18:36, 1.37s/it] 816it [18:37, 1.37s/it] 817it [18:39, 1.38s/it] 818it [18:40, 1.38s/it] 819it [18:42, 1.37s/it] 820it [18:43, 1.37s/it] 821it [18:44, 1.37s/it] 822it [18:46, 1.37s/it] 823it [18:47, 1.37s/it] 824it [18:48, 1.37s/it] 825it [18:50, 1.36s/it] 826it [18:51, 1.37s/it] 827it [18:53, 1.38s/it] 828it [18:54, 1.38s/it] 829it [18:55, 1.37s/it] 830it [18:57, 1.37s/it] 831it [18:58, 1.37s/it] 832it [18:59, 1.37s/it] 833it [19:01, 1.36s/it] 834it [19:02, 1.36s/it] 835it [19:03, 1.37s/it] 836it [19:05, 1.37s/it] 837it [19:06, 1.37s/it] 838it [19:08, 1.37s/it] 839it [19:09, 1.36s/it] 840it [19:10, 1.35s/it] 841it [19:12, 1.34s/it] 842it [19:13, 1.34s/it] 843it [19:14, 1.34s/it] 844it [19:16, 1.34s/it] 845it [19:17, 1.34s/it] 846it [19:18, 1.35s/it] 847it [19:20, 1.35s/it] 848it [19:21, 1.36s/it] 849it [19:22, 1.36s/it] 850it [19:24, 1.36s/it] 851it [19:25, 1.37s/it] 852it [19:27, 1.37s/it] 853it [19:28, 1.38s/it] 854it 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1.39s/it] 896it [20:27, 1.39s/it] 897it [20:28, 1.39s/it] 898it [20:30, 1.39s/it] 899it [20:31, 1.39s/it] 900it [20:33, 1.39s/it] 901it [20:34, 1.39s/it] 902it [20:35, 1.39s/it] 903it [20:37, 1.39s/it] 904it [20:38, 1.38s/it] 905it [20:40, 1.38s/it] 906it [20:41, 1.37s/it] 907it [20:42, 1.36s/it] 908it [20:44, 1.36s/it] 909it [20:45, 1.36s/it] 910it [20:46, 1.35s/it] 911it [20:48, 1.35s/it] 912it [20:49, 1.36s/it] 913it [20:50, 1.36s/it] 914it [20:52, 1.36s/it] 915it [20:53, 1.37s/it] 916it [20:54, 1.37s/it] 917it [20:56, 1.37s/it] 918it [20:57, 1.37s/it] 919it [20:59, 1.38s/it] 920it [21:00, 1.38s/it] 921it [21:01, 1.38s/it] 922it [21:03, 1.38s/it] 923it [21:04, 1.39s/it] 924it [21:06, 1.38s/it] 925it [21:07, 1.38s/it] 926it [21:08, 1.37s/it] 927it [21:10, 1.37s/it] 928it [21:11, 1.37s/it] 929it [21:12, 1.37s/it] 930it [21:14, 1.37s/it] 931it [21:15, 1.36s/it] 932it [21:16, 1.36s/it] 933it [21:18, 1.36s/it] 934it [21:19, 1.36s/it] 935it [21:20, 1.36s/it] 936it [21:22, 1.36s/it] 937it [21:23, 1.35s/it] 938it [21:25, 1.36s/it] 939it [21:26, 1.35s/it] 940it [21:27, 1.35s/it] 941it [21:29, 1.36s/it] 942it [21:30, 1.37s/it] 943it [21:31, 1.37s/it] 944it [21:33, 1.37s/it] 945it [21:34, 1.37s/it] 946it [21:36, 1.37s/it] 947it [21:37, 1.37s/it] 948it [21:38, 1.38s/it] 949it [21:40, 1.38s/it] 950it [21:41, 1.38s/it] 951it [21:42, 1.38s/it] 952it [21:44, 1.37s/it] 953it [21:45, 1.37s/it] 954it [21:47, 1.37s/it] 955it [21:48, 1.38s/it] 956it [21:49, 1.38s/it] 957it [21:51, 1.38s/it] 958it [21:52, 1.38s/it] 959it [21:53, 1.38s/it] 960it [21:55, 1.38s/it] 961it [21:56, 1.38s/it] 962it [21:58, 1.38s/it] 963it [21:59, 1.37s/it] 964it [22:00, 1.37s/it] 965it [22:02, 1.37s/it] 966it [22:03, 1.36s/it] 967it [22:04, 1.36s/it] 968it [22:06, 1.37s/it] 969it [22:07, 1.36s/it] 970it [22:08, 1.37s/it] 971it [22:10, 1.36s/it] 972it [22:11, 1.36s/it] 973it [22:13, 1.36s/it] 974it [22:14, 1.36s/it] 975it [22:15, 1.36s/it] 976it [22:17, 1.35s/it] 977it [22:18, 1.35s/it] 978it [22:19, 1.35s/it] 979it [22:21, 1.36s/it] 980it [22:22, 1.36s/it] 981it [22:23, 1.36s/it] 982it [22:25, 1.36s/it] 983it [22:26, 1.37s/it] 984it [22:28, 1.37s/it] 985it [22:29, 1.37s/it] 986it [22:30, 1.36s/it] 987it [22:32, 1.36s/it] 988it [22:33, 1.35s/it] 989it [22:34, 1.35s/it] 990it [22:36, 1.35s/it] 991it [22:37, 1.34s/it] 992it [22:38, 1.35s/it] 993it [22:40, 1.34s/it] 994it [22:41, 1.35s/it] 995it [22:42, 1.35s/it] 996it [22:44, 1.35s/it] 997it [22:45, 1.34s/it] 998it [22:46, 1.34s/it] 999it [22:48, 1.35s/it] 1000it [22:49, 1.35s/it] 1000it [22:49, 1.37s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:39.730332 +⏰ Completed process in 0:22:50.132449 diff --git a/chunked/d4-dock_018.csv.gz b/chunked/d4-dock_018.csv.gz index 75db86e8298d6d47a3ea32e7bff7088e16009a2b..3b114ce5e5b776d594364be9a47a4be44f0f5fc2 100644 --- a/chunked/d4-dock_018.csv.gz +++ b/chunked/d4-dock_018.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:5d1187cf0bdbfa3009b4442a7bda3298ce476b4e1a9c0e021d9631c391c293d5 -size 34651382 +oid sha256:91f278765dfb02f9fad8d8426c4d3e0756e79c323ca64d443eecf5c8ac662c95 +size 34651381 diff --git a/chunked/d4-dock_018.log b/chunked/d4-dock_018.log index ac8e753d3b436eda9cd46ac3734888bba20507c2..f471e32bd5381861e20226d92d6c1a6dba8eb421 100644 --- a/chunked/d4-dock_018.log +++ b/chunked/d4-dock_018.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.35s/it] 2it [00:02, 1.35s/it] 3it [00:04, 1.36s/it] 4it [00:05, 1.35s/it] 5it [00:06, 1.36s/it] 6it [00:08, 1.35s/it] 7it [00:09, 1.35s/it] 8it [00:10, 1.36s/it] 9it [00:12, 1.37s/it] 10it [00:13, 1.37s/it] 11it [00:14, 1.37s/it] 12it [00:16, 1.37s/it] 13it [00:17, 1.37s/it] 14it [00:19, 1.37s/it] 15it [00:20, 1.38s/it] 16it [00:21, 1.37s/it] 17it [00:23, 1.38s/it] 18it [00:24, 1.38s/it] 19it [00:25, 1.37s/it] 20it [00:27, 1.36s/it] 21it [00:28, 1.36s/it] 22it [00:30, 1.36s/it] 23it [00:31, 1.35s/it] 24it [00:32, 1.34s/it] 25it [00:34, 1.34s/it] 26it [00:35, 1.34s/it] 27it [00:36, 1.35s/it] 28it [00:38, 1.35s/it] 29it [00:39, 1.36s/it] 30it [00:40, 1.36s/it] 31it [00:42, 1.37s/it] 32it [00:43, 1.37s/it] 33it [00:44, 1.37s/it] 34it [00:46, 1.37s/it] 35it [00:47, 1.37s/it] 36it [00:49, 1.37s/it] 37it [00:50, 1.37s/it] 38it [00:51, 1.38s/it] 39it [00:53, 1.38s/it] 40it [00:54, 1.38s/it] 41it [00:55, 1.38s/it] 42it [00:57, 1.38s/it] 43it [00:58, 1.38s/it] 44it [01:00, 1.38s/it] 45it [01:01, 1.37s/it] 46it [01:02, 1.37s/it] 47it [01:04, 1.37s/it] 48it [01:05, 1.37s/it] 49it [01:06, 1.37s/it] 50it [01:08, 1.37s/it] 51it [01:09, 1.37s/it] 52it [01:11, 1.37s/it] 53it [01:12, 1.37s/it] 54it [01:13, 1.37s/it] 55it [01:15, 1.37s/it] 56it [01:16, 1.37s/it] 57it [01:17, 1.37s/it] 58it [01:19, 1.37s/it] 59it [01:20, 1.37s/it] 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1.40s/it] 973it [22:26, 1.40s/it] 974it [22:28, 1.40s/it] 975it [22:29, 1.40s/it] 976it [22:30, 1.39s/it] 977it [22:32, 1.39s/it] 978it [22:33, 1.38s/it] 979it [22:34, 1.38s/it] 980it [22:36, 1.38s/it] 981it [22:37, 1.38s/it] 982it [22:39, 1.38s/it] 983it [22:40, 1.37s/it] 984it [22:41, 1.38s/it] 985it [22:43, 1.38s/it] 986it [22:44, 1.38s/it] 987it [22:46, 1.38s/it] 988it [22:47, 1.38s/it] 989it [22:48, 1.38s/it] 990it [22:50, 1.38s/it] 991it [22:51, 1.37s/it] 992it [22:52, 1.37s/it] 993it [22:54, 1.38s/it] 994it [22:55, 1.38s/it] 995it [22:57, 1.38s/it] 996it [22:58, 1.38s/it] 997it [22:59, 1.38s/it] 998it [23:01, 1.38s/it] 999it [23:02, 1.38s/it] 1000it [23:03, 1.38s/it] 1000it [23:03, 1.38s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:35.181625 +⏰ Completed process in 0:23:04.539520 diff --git a/chunked/d4-dock_019.csv.gz b/chunked/d4-dock_019.csv.gz index 4b58569c87157b2ac07d00d00fb3ef035db57fc3..d5388df3fac95404532c3358c7138abf0b323c5d 100644 --- a/chunked/d4-dock_019.csv.gz +++ b/chunked/d4-dock_019.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:68b3387eb7ff868b36bfce5d6652c072c0e1385853653f64aa69bf2285ad253a -size 34830381 +oid sha256:161ba02cdbaecbc37cceb22dcce5e21f8dbc44d89d982f1e56249e5f46193e46 +size 34830362 diff --git a/chunked/d4-dock_019.log b/chunked/d4-dock_019.log index 26f0db5c996acdc88c534c6fcc4683b12a0a6e66..bce5ddb94e14e4159b78613cfb934b604e343ff6 100644 --- a/chunked/d4-dock_019.log +++ b/chunked/d4-dock_019.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.38s/it] 2it [00:02, 1.38s/it] 3it [00:04, 1.37s/it] 4it [00:05, 1.36s/it] 5it [00:06, 1.36s/it] 6it [00:08, 1.36s/it] 7it [00:09, 1.36s/it] 8it [00:10, 1.36s/it] 9it [00:12, 1.36s/it] 10it [00:13, 1.36s/it] 11it [00:14, 1.36s/it] 12it [00:16, 1.36s/it] 13it [00:17, 1.36s/it] 14it [00:19, 1.35s/it] 15it [00:20, 1.35s/it] 16it [00:21, 1.35s/it] 17it [00:23, 1.36s/it] 18it [00:24, 1.35s/it] 19it [00:25, 1.34s/it] 20it [00:27, 1.35s/it] 21it [00:28, 1.34s/it] 22it [00:29, 1.34s/it] 23it [00:31, 1.34s/it] 24it [00:32, 1.34s/it] 25it [00:33, 1.34s/it] 26it [00:35, 1.34s/it] 27it [00:36, 1.34s/it] 28it [00:37, 1.35s/it] 29it [00:39, 1.35s/it] 30it [00:40, 1.35s/it] 31it [00:41, 1.34s/it] 32it [00:43, 1.34s/it] 33it [00:44, 1.34s/it] 34it [00:45, 1.34s/it] 35it [00:47, 1.34s/it] 36it [00:48, 1.34s/it] 37it [00:49, 1.34s/it] 38it [00:51, 1.34s/it] 39it [00:52, 1.34s/it] 40it [00:53, 1.34s/it] 41it [00:55, 1.34s/it] 42it [00:56, 1.33s/it] 43it [00:57, 1.33s/it] 44it [00:59, 1.32s/it] 45it [01:00, 1.33s/it] 46it [01:01, 1.32s/it] 47it [01:03, 1.32s/it] 48it [01:04, 1.33s/it] 49it [01:05, 1.33s/it] 50it [01:07, 1.33s/it] 51it [01:08, 1.33s/it] 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1.37s/it] 800it [18:13, 1.37s/it] 801it [18:14, 1.37s/it] 802it [18:16, 1.37s/it] 803it [18:17, 1.37s/it] 804it [18:18, 1.37s/it] 805it [18:20, 1.37s/it] 806it [18:21, 1.37s/it] 807it [18:23, 1.37s/it] 808it [18:24, 1.37s/it] 809it [18:25, 1.37s/it] 810it [18:27, 1.37s/it] 811it [18:28, 1.37s/it] 812it [18:29, 1.37s/it] 813it [18:31, 1.37s/it] 814it [18:32, 1.37s/it] 815it [18:34, 1.37s/it] 816it [18:35, 1.37s/it] 817it [18:36, 1.37s/it] 818it [18:38, 1.37s/it] 819it [18:39, 1.37s/it] 820it [18:40, 1.37s/it] 821it [18:42, 1.36s/it] 822it [18:43, 1.37s/it] 823it [18:44, 1.37s/it] 824it [18:46, 1.37s/it] 825it [18:47, 1.37s/it] 826it [18:49, 1.37s/it] 827it [18:50, 1.38s/it] 828it [18:51, 1.38s/it] 829it [18:53, 1.38s/it] 830it [18:54, 1.38s/it] 831it [18:55, 1.37s/it] 832it [18:57, 1.37s/it] 833it [18:58, 1.37s/it] 834it [19:00, 1.36s/it] 835it [19:01, 1.36s/it] 836it [19:02, 1.35s/it] 837it [19:04, 1.35s/it] 838it [19:05, 1.35s/it] 839it [19:06, 1.35s/it] 840it [19:08, 1.36s/it] 841it [19:09, 1.35s/it] 842it [19:10, 1.35s/it] 843it [19:12, 1.35s/it] 844it [19:13, 1.36s/it] 845it [19:14, 1.36s/it] 846it [19:16, 1.36s/it] 847it [19:17, 1.37s/it] 848it [19:19, 1.37s/it] 849it [19:20, 1.38s/it] 850it [19:21, 1.37s/it] 851it [19:23, 1.37s/it] 852it [19:24, 1.37s/it] 853it [19:25, 1.38s/it] 854it [19:27, 1.37s/it] 855it [19:28, 1.37s/it] 856it [19:30, 1.37s/it] 857it [19:31, 1.37s/it] 858it [19:32, 1.37s/it] 859it [19:34, 1.37s/it] 860it [19:35, 1.37s/it] 861it [19:36, 1.37s/it] 862it [19:38, 1.37s/it] 863it [19:39, 1.37s/it] 864it [19:40, 1.37s/it] 865it [19:42, 1.38s/it] 866it [19:43, 1.37s/it] 867it [19:45, 1.37s/it] 868it [19:46, 1.37s/it] 869it [19:47, 1.37s/it] 870it [19:49, 1.37s/it] 871it [19:50, 1.37s/it] 872it [19:51, 1.37s/it] 873it [19:53, 1.38s/it] 874it [19:54, 1.37s/it] 875it [19:56, 1.37s/it] 876it [19:57, 1.37s/it] 877it [19:58, 1.37s/it] 878it [20:00, 1.37s/it] 879it [20:01, 1.38s/it] 880it [20:02, 1.37s/it] 881it [20:04, 1.37s/it] 882it [20:05, 1.37s/it] 883it [20:07, 1.37s/it] 884it [20:08, 1.37s/it] 885it [20:09, 1.37s/it] 886it [20:11, 1.37s/it] 887it [20:12, 1.37s/it] 888it [20:13, 1.38s/it] 889it [20:15, 1.38s/it] 890it [20:16, 1.39s/it] 891it [20:18, 1.39s/it] 892it [20:19, 1.39s/it] 893it [20:20, 1.39s/it] 894it [20:22, 1.39s/it] 895it [20:23, 1.39s/it] 896it [20:25, 1.39s/it] 897it [20:26, 1.38s/it] 898it [20:27, 1.37s/it] 899it [20:29, 1.37s/it] 900it [20:30, 1.37s/it] 901it [20:31, 1.37s/it] 902it [20:33, 1.37s/it] 903it [20:34, 1.37s/it] 904it [20:35, 1.37s/it] 905it [20:37, 1.36s/it] 906it [20:38, 1.36s/it] 907it [20:40, 1.36s/it] 908it [20:41, 1.36s/it] 909it [20:42, 1.36s/it] 910it [20:44, 1.36s/it] 911it [20:45, 1.36s/it] 912it [20:46, 1.36s/it] 913it [20:48, 1.36s/it] 914it [20:49, 1.37s/it] 915it [20:50, 1.37s/it] 916it [20:52, 1.37s/it] 917it [20:53, 1.37s/it] 918it [20:55, 1.37s/it] 919it [20:56, 1.37s/it] 920it [20:57, 1.37s/it] 921it [20:59, 1.36s/it] 922it [21:00, 1.36s/it] 923it [21:01, 1.36s/it] 924it [21:03, 1.36s/it] 925it [21:04, 1.36s/it] 926it [21:05, 1.36s/it] 927it [21:07, 1.36s/it] 928it [21:08, 1.36s/it] 929it [21:10, 1.36s/it] 930it [21:11, 1.36s/it] 931it [21:12, 1.36s/it] 932it [21:14, 1.37s/it] 933it [21:15, 1.37s/it] 934it [21:16, 1.37s/it] 935it [21:18, 1.37s/it] 936it [21:19, 1.37s/it] 937it [21:20, 1.37s/it] 938it [21:22, 1.37s/it] 939it [21:23, 1.38s/it] 940it [21:25, 1.38s/it] 941it [21:26, 1.38s/it] 942it [21:27, 1.39s/it] 943it [21:29, 1.38s/it] 944it [21:30, 1.38s/it] 945it [21:32, 1.38s/it] 946it [21:33, 1.37s/it] 947it [21:34, 1.37s/it] 948it [21:36, 1.36s/it] 949it [21:37, 1.35s/it] 950it [21:38, 1.37s/it] 951it [21:40, 1.37s/it] 952it [21:41, 1.36s/it] 953it [21:43, 1.41s/it] 954it [21:44, 1.40s/it] 955it [21:45, 1.38s/it] 956it [21:47, 1.38s/it] 957it [21:48, 1.37s/it] 958it [21:49, 1.37s/it] 959it [21:51, 1.38s/it] 960it [21:52, 1.38s/it] 961it [21:54, 1.38s/it] 962it [21:55, 1.38s/it] 963it [21:56, 1.38s/it] 964it [21:58, 1.38s/it] 965it [21:59, 1.37s/it] 966it [22:00, 1.37s/it] 967it [22:02, 1.37s/it] 968it [22:03, 1.36s/it] 969it [22:04, 1.36s/it] 970it [22:06, 1.36s/it] 971it [22:07, 1.36s/it] 972it [22:09, 1.36s/it] 973it [22:10, 1.36s/it] 974it [22:11, 1.36s/it] 975it [22:13, 1.36s/it] 976it [22:14, 1.35s/it] 977it [22:15, 1.35s/it] 978it [22:17, 1.34s/it] 979it [22:18, 1.34s/it] 980it [22:19, 1.34s/it] 981it [22:21, 1.35s/it] 982it [22:22, 1.36s/it] 983it [22:23, 1.36s/it] 984it [22:25, 1.35s/it] 985it [22:26, 1.35s/it] 986it [22:27, 1.35s/it] 987it [22:29, 1.35s/it] 988it [22:30, 1.35s/it] 989it [22:31, 1.35s/it] 990it [22:33, 1.35s/it] 991it [22:34, 1.35s/it] 992it [22:36, 1.35s/it] 993it [22:37, 1.35s/it] 994it [22:38, 1.35s/it] 995it [22:40, 1.35s/it] 996it [22:41, 1.35s/it] 997it [22:42, 1.35s/it] 998it [22:44, 1.35s/it] 999it [22:45, 1.34s/it] 1000it [22:46, 1.34s/it] 1000it [22:46, 1.37s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:10.920267 +⏰ Completed process in 0:22:47.407471 diff --git a/chunked/d4-dock_020.csv.gz b/chunked/d4-dock_020.csv.gz index f950d8075701a6fa6bcfedec4e210ee636a20196..f507ebd60def6b85047c179a1a559e7f2c61821e 100644 --- a/chunked/d4-dock_020.csv.gz +++ b/chunked/d4-dock_020.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:f795ff1496d5188921f00092efcb0bbc261ef139a6cc3f3805d4e995cfde1e3f -size 34216923 +oid sha256:576a3a646f85a07190c30da35eee94445339da9bb89ea91817368484f9a41492 +size 34216929 diff --git a/chunked/d4-dock_020.log b/chunked/d4-dock_020.log index 6730fd130ea6266f7dbf5b8da3505ef67a525759..319da7a73c177b60e6c7417a0d1352f032ca0ede 100644 --- a/chunked/d4-dock_020.log +++ b/chunked/d4-dock_020.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.39s/it] 2it [00:02, 1.38s/it] 3it [00:04, 1.38s/it] 4it [00:05, 1.38s/it] 5it [00:06, 1.38s/it] 6it [00:08, 1.38s/it] 7it [00:09, 1.39s/it] 8it [00:11, 1.38s/it] 9it [00:12, 1.38s/it] 10it [00:13, 1.38s/it] 11it [00:15, 1.38s/it] 12it [00:16, 1.38s/it] 13it [00:17, 1.37s/it] 14it [00:19, 1.37s/it] 15it [00:20, 1.37s/it] 16it [00:21, 1.36s/it] 17it [00:23, 1.36s/it] 18it [00:24, 1.36s/it] 19it [00:26, 1.36s/it] 20it [00:27, 1.35s/it] 21it [00:28, 1.36s/it] 22it [00:30, 1.36s/it] 23it [00:31, 1.36s/it] 24it [00:32, 1.37s/it] 25it [00:34, 1.36s/it] 26it [00:35, 1.36s/it] 27it [00:36, 1.36s/it] 28it [00:38, 1.36s/it] 29it [00:39, 1.35s/it] 30it [00:40, 1.35s/it] 31it [00:42, 1.35s/it] 32it [00:43, 1.34s/it] 33it [00:44, 1.34s/it] 34it [00:46, 1.34s/it] 35it [00:47, 1.34s/it] 36it [00:49, 1.34s/it] 37it [00:50, 1.34s/it] 38it [00:51, 1.34s/it] 39it [00:53, 1.35s/it] 40it [00:54, 1.36s/it] 41it [00:55, 1.36s/it] 42it [00:57, 1.36s/it] 43it [00:58, 1.37s/it] 44it [00:59, 1.36s/it] 45it [01:01, 1.36s/it] 46it [01:02, 1.36s/it] 47it [01:04, 1.36s/it] 48it [01:05, 1.36s/it] 49it [01:06, 1.36s/it] 50it [01:08, 1.37s/it] 51it [01:09, 1.36s/it] 52it [01:10, 1.36s/it] 53it [01:12, 1.36s/it] 54it [01:13, 1.36s/it] 55it [01:14, 1.36s/it] 56it [01:16, 1.35s/it] 57it [01:17, 1.35s/it] 58it [01:18, 1.36s/it] 59it [01:20, 1.35s/it] 60it [01:21, 1.36s/it] 61it [01:23, 1.36s/it] 62it [01:24, 1.36s/it] 63it [01:25, 1.37s/it] 64it [01:27, 1.36s/it] 65it [01:28, 1.36s/it] 66it [01:29, 1.37s/it] 67it [01:31, 1.36s/it] 68it [01:32, 1.36s/it] 69it [01:33, 1.36s/it] 70it [01:35, 1.36s/it] 71it [01:36, 1.36s/it] 72it [01:37, 1.35s/it] 73it [01:39, 1.35s/it] 74it [01:40, 1.35s/it] 75it [01:42, 1.35s/it] 76it [01:43, 1.35s/it] 77it [01:44, 1.35s/it] 78it [01:46, 1.36s/it] 79it [01:47, 1.36s/it] 80it [01:48, 1.36s/it] 81it [01:50, 1.36s/it] 82it [01:51, 1.35s/it] 83it [01:52, 1.35s/it] 84it [01:54, 1.35s/it] 85it [01:55, 1.35s/it] 86it [01:56, 1.35s/it] 87it [01:58, 1.34s/it] 88it [01:59, 1.35s/it] 89it [02:00, 1.34s/it] 90it [02:02, 1.34s/it] 91it [02:03, 1.34s/it] 92it [02:04, 1.34s/it] 93it [02:06, 1.34s/it] 94it [02:07, 1.34s/it] 95it [02:08, 1.34s/it] 96it [02:10, 1.35s/it] 97it [02:11, 1.35s/it] 98it [02:13, 1.35s/it] 99it [02:14, 1.35s/it] 100it [02:15, 1.36s/it] 101it [02:17, 1.36s/it] 102it [02:18, 1.35s/it] 103it [02:19, 1.36s/it] 104it [02:21, 1.36s/it] 105it [02:22, 1.36s/it] 106it [02:23, 1.36s/it] 107it [02:25, 1.36s/it] 108it [02:26, 1.36s/it] 109it [02:28, 1.36s/it] 110it [02:29, 1.36s/it] 111it [02:30, 1.36s/it] 112it [02:32, 1.36s/it] 113it [02:33, 1.36s/it] 114it [02:34, 1.36s/it] 115it [02:36, 1.36s/it] 116it [02:37, 1.36s/it] 117it [02:38, 1.36s/it] 118it [02:40, 1.36s/it] 119it [02:41, 1.36s/it] 120it [02:42, 1.36s/it] 121it [02:44, 1.35s/it] 122it [02:45, 1.34s/it] 123it [02:46, 1.35s/it] 124it [02:48, 1.35s/it] 125it [02:49, 1.34s/it] 126it [02:50, 1.34s/it] 127it [02:52, 1.35s/it] 128it [02:53, 1.35s/it] 129it [02:55, 1.34s/it] 130it [02:56, 1.34s/it] 131it [02:57, 1.34s/it] 132it [02:59, 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1.34s/it] 671it [15:06, 1.34s/it] 672it [15:07, 1.34s/it] 673it [15:09, 1.34s/it] 674it [15:10, 1.34s/it] 675it [15:11, 1.34s/it] 676it [15:13, 1.35s/it] 677it [15:14, 1.35s/it] 678it [15:16, 1.35s/it] 679it [15:17, 1.35s/it] 680it [15:18, 1.35s/it] 681it [15:20, 1.35s/it] 682it [15:21, 1.35s/it] 683it [15:22, 1.35s/it] 684it [15:24, 1.35s/it] 685it [15:25, 1.34s/it] 686it [15:26, 1.34s/it] 687it [15:28, 1.34s/it] 688it [15:29, 1.33s/it] 689it [15:30, 1.33s/it] 690it [15:32, 1.33s/it] 691it [15:33, 1.33s/it] 692it [15:34, 1.34s/it] 693it [15:36, 1.33s/it] 694it [15:37, 1.33s/it] 695it [15:38, 1.33s/it] 696it [15:40, 1.33s/it] 697it [15:41, 1.34s/it] 698it [15:42, 1.34s/it] 699it [15:44, 1.33s/it] 700it [15:45, 1.33s/it] 701it [15:46, 1.33s/it] 702it [15:48, 1.34s/it] 703it [15:49, 1.34s/it] 704it [15:50, 1.35s/it] 705it [15:52, 1.35s/it] 706it [15:53, 1.36s/it] 707it [15:54, 1.36s/it] 708it [15:56, 1.36s/it] 709it [15:57, 1.36s/it] 710it [15:58, 1.35s/it] 711it [16:00, 1.34s/it] 712it 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1.34s/it] 754it [16:57, 1.34s/it] 755it [16:59, 1.35s/it] 756it [17:00, 1.34s/it] 757it [17:01, 1.34s/it] 758it [17:03, 1.35s/it] 759it [17:04, 1.35s/it] 760it [17:05, 1.35s/it] 761it [17:07, 1.35s/it] 762it [17:08, 1.35s/it] 763it [17:09, 1.34s/it] 764it [17:11, 1.33s/it] 765it [17:12, 1.34s/it] 766it [17:13, 1.34s/it] 767it [17:15, 1.34s/it] 768it [17:16, 1.34s/it] 769it [17:17, 1.34s/it] 770it [17:19, 1.34s/it] 771it [17:20, 1.34s/it] 772it [17:21, 1.34s/it] 773it [17:23, 1.34s/it] 774it [17:24, 1.34s/it] 775it [17:25, 1.34s/it] 776it [17:27, 1.34s/it] 777it [17:28, 1.34s/it] 778it [17:29, 1.34s/it] 779it [17:31, 1.34s/it] 780it [17:32, 1.34s/it] 781it [17:33, 1.34s/it] 782it [17:35, 1.34s/it] 783it [17:36, 1.35s/it] 784it [17:38, 1.36s/it] 785it [17:39, 1.36s/it] 786it [17:40, 1.35s/it] 787it [17:42, 1.35s/it] 788it [17:43, 1.34s/it] 789it [17:44, 1.33s/it] 790it [17:46, 1.33s/it] 791it [17:47, 1.33s/it] 792it [17:48, 1.33s/it] 793it [17:49, 1.32s/it] 794it [17:51, 1.32s/it] 795it [17:52, 1.32s/it] 796it [17:53, 1.32s/it] 797it [17:55, 1.32s/it] 798it [17:56, 1.32s/it] 799it [17:57, 1.32s/it] 800it [17:59, 1.33s/it] 801it [18:00, 1.33s/it] 802it [18:01, 1.33s/it] 803it [18:03, 1.34s/it] 804it [18:04, 1.33s/it] 805it [18:05, 1.33s/it] 806it [18:07, 1.33s/it] 807it [18:08, 1.32s/it] 808it [18:09, 1.33s/it] 809it [18:11, 1.33s/it] 810it [18:12, 1.34s/it] 811it [18:13, 1.34s/it] 812it [18:15, 1.33s/it] 813it [18:16, 1.33s/it] 814it [18:17, 1.34s/it] 815it [18:19, 1.34s/it] 816it [18:20, 1.34s/it] 817it [18:21, 1.34s/it] 818it [18:23, 1.35s/it] 819it [18:24, 1.35s/it] 820it [18:26, 1.35s/it] 821it [18:27, 1.35s/it] 822it [18:28, 1.35s/it] 823it [18:30, 1.34s/it] 824it [18:31, 1.33s/it] 825it [18:32, 1.32s/it] 826it [18:33, 1.32s/it] 827it [18:35, 1.33s/it] 828it [18:36, 1.33s/it] 829it [18:37, 1.33s/it] 830it [18:39, 1.33s/it] 831it [18:40, 1.33s/it] 832it [18:41, 1.33s/it] 833it [18:43, 1.34s/it] 834it [18:44, 1.34s/it] 835it [18:46, 1.34s/it] 836it [18:47, 1.34s/it] 837it [18:48, 1.34s/it] 838it [18:50, 1.34s/it] 839it [18:51, 1.34s/it] 840it [18:52, 1.34s/it] 841it [18:54, 1.34s/it] 842it [18:55, 1.34s/it] 843it [18:56, 1.34s/it] 844it [18:58, 1.34s/it] 845it [18:59, 1.34s/it] 846it [19:00, 1.34s/it] 847it [19:02, 1.34s/it] 848it [19:03, 1.34s/it] 849it [19:04, 1.34s/it] 850it [19:06, 1.34s/it] 851it [19:07, 1.35s/it] 852it [19:08, 1.33s/it] 853it [19:10, 1.32s/it] 854it [19:11, 1.32s/it] 855it [19:12, 1.32s/it] 856it [19:14, 1.33s/it] 857it [19:15, 1.33s/it] 858it [19:16, 1.33s/it] 859it [19:18, 1.33s/it] 860it [19:19, 1.33s/it] 861it [19:20, 1.32s/it] 862it [19:22, 1.32s/it] 863it [19:23, 1.33s/it] 864it [19:24, 1.33s/it] 865it [19:26, 1.32s/it] 866it [19:27, 1.32s/it] 867it [19:28, 1.33s/it] 868it [19:30, 1.33s/it] 869it [19:31, 1.33s/it] 870it [19:32, 1.33s/it] 871it [19:33, 1.33s/it] 872it [19:35, 1.34s/it] 873it [19:36, 1.34s/it] 874it [19:38, 1.34s/it] 875it [19:39, 1.33s/it] 876it [19:40, 1.34s/it] 877it [19:42, 1.34s/it] 878it [19:43, 1.33s/it] 879it [19:44, 1.34s/it] 880it [19:46, 1.35s/it] 881it [19:47, 1.35s/it] 882it [19:48, 1.35s/it] 883it [19:50, 1.34s/it] 884it [19:51, 1.33s/it] 885it [19:52, 1.32s/it] 886it [19:54, 1.32s/it] 887it [19:55, 1.31s/it] 888it [19:56, 1.31s/it] 889it [19:57, 1.32s/it] 890it [19:59, 1.32s/it] 891it [20:00, 1.33s/it] 892it [20:01, 1.34s/it] 893it [20:03, 1.34s/it] 894it [20:04, 1.34s/it] 895it [20:06, 1.35s/it] 896it [20:07, 1.34s/it] 897it [20:08, 1.34s/it] 898it [20:10, 1.34s/it] 899it [20:11, 1.35s/it] 900it [20:12, 1.35s/it] 901it [20:14, 1.34s/it] 902it [20:15, 1.35s/it] 903it [20:16, 1.35s/it] 904it [20:18, 1.35s/it] 905it [20:19, 1.35s/it] 906it [20:20, 1.35s/it] 907it [20:22, 1.35s/it] 908it [20:23, 1.34s/it] 909it [20:24, 1.34s/it] 910it [20:26, 1.34s/it] 911it [20:27, 1.34s/it] 912it [20:28, 1.33s/it] 913it [20:30, 1.33s/it] 914it [20:31, 1.33s/it] 915it [20:32, 1.33s/it] 916it [20:34, 1.33s/it] 917it [20:35, 1.33s/it] 918it [20:36, 1.32s/it] 919it [20:38, 1.32s/it] 920it [20:39, 1.33s/it] 921it [20:40, 1.33s/it] 922it [20:42, 1.33s/it] 923it [20:43, 1.33s/it] 924it [20:44, 1.34s/it] 925it [20:46, 1.35s/it] 926it [20:47, 1.34s/it] 927it [20:48, 1.33s/it] 928it [20:50, 1.31s/it] 929it [20:51, 1.31s/it] 930it [20:52, 1.31s/it] 931it [20:54, 1.31s/it] 932it [20:55, 1.31s/it] 933it [20:56, 1.31s/it] 934it [20:58, 1.32s/it] 935it [20:59, 1.32s/it] 936it [21:00, 1.32s/it] 937it [21:01, 1.32s/it] 938it [21:03, 1.32s/it] 939it [21:04, 1.32s/it] 940it [21:05, 1.34s/it] 941it [21:07, 1.35s/it] 942it [21:08, 1.37s/it] 943it [21:10, 1.36s/it] 944it [21:11, 1.34s/it] 945it [21:12, 1.32s/it] 946it [21:13, 1.32s/it] 947it [21:15, 1.31s/it] 948it [21:16, 1.31s/it] 949it [21:17, 1.32s/it] 950it [21:19, 1.32s/it] 951it [21:20, 1.30s/it] 952it [21:21, 1.29s/it] 953it [21:23, 1.30s/it] 954it [21:24, 1.31s/it] 955it [21:25, 1.32s/it] 956it [21:27, 1.33s/it] 957it [21:28, 1.34s/it] 958it [21:29, 1.34s/it] 959it [21:31, 1.34s/it] 960it [21:32, 1.35s/it] 961it [21:33, 1.35s/it] 962it [21:35, 1.35s/it] 963it [21:36, 1.35s/it] 964it [21:37, 1.35s/it] 965it [21:39, 1.34s/it] 966it [21:40, 1.34s/it] 967it [21:41, 1.34s/it] 968it [21:43, 1.33s/it] 969it [21:44, 1.34s/it] 970it [21:45, 1.34s/it] 971it [21:47, 1.33s/it] 972it [21:48, 1.33s/it] 973it [21:50, 1.35s/it] 974it [21:51, 1.34s/it] 975it [21:52, 1.34s/it] 976it [21:53, 1.34s/it] 977it [21:55, 1.33s/it] 978it [21:56, 1.33s/it] 979it [21:57, 1.33s/it] 980it [21:59, 1.33s/it] 981it [22:00, 1.33s/it] 982it [22:01, 1.34s/it] 983it [22:03, 1.34s/it] 984it [22:04, 1.34s/it] 985it [22:05, 1.34s/it] 986it [22:07, 1.33s/it] 987it [22:08, 1.33s/it] 988it [22:09, 1.33s/it] 989it [22:11, 1.33s/it] 990it [22:12, 1.32s/it] 991it [22:13, 1.31s/it] 992it [22:15, 1.29s/it] 993it [22:16, 1.28s/it] 994it [22:17, 1.28s/it] 995it [22:19, 1.30s/it] 996it [22:20, 1.32s/it] 997it [22:21, 1.34s/it] 998it [22:23, 1.34s/it] 999it [22:24, 1.32s/it] 1000it [22:25, 1.30s/it] 1000it [22:25, 1.35s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:35.579393 +⏰ Completed process in 0:22:26.214161 diff --git a/chunked/d4-dock_021.csv.gz b/chunked/d4-dock_021.csv.gz index 072ba432ad777e8583af50385fb343e1290a4c6d..518eae3bcabb83ebf419db4e1d3f01a0c17c232c 100644 --- a/chunked/d4-dock_021.csv.gz +++ b/chunked/d4-dock_021.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:68e56cee0f208cb332edf6106f21e4e2c4d2457b11f4e0ec4cb58768d5e028a7 -size 35098331 +oid sha256:2108d56a1da954faeb6121efad47ab0c5d71afb1ae4545f7dabe2e5d7018634f +size 35098337 diff --git a/chunked/d4-dock_021.log b/chunked/d4-dock_021.log index 60e197bedbc2d2a2e64cd59d3cf9c4edb04de7dc..f05ac6af9a873d276cf6f903c30b2992343a4dbb 100644 --- a/chunked/d4-dock_021.log +++ b/chunked/d4-dock_021.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.33s/it] 2it [00:02, 1.32s/it] 3it [00:03, 1.32s/it] 4it [00:05, 1.31s/it] 5it [00:06, 1.31s/it] 6it [00:07, 1.33s/it] 7it [00:09, 1.33s/it] 8it [00:10, 1.33s/it] 9it [00:11, 1.34s/it] 10it [00:13, 1.35s/it] 11it [00:14, 1.36s/it] 12it [00:16, 1.36s/it] 13it [00:17, 1.37s/it] 14it [00:18, 1.37s/it] 15it [00:20, 1.37s/it] 16it [00:21, 1.37s/it] 17it [00:22, 1.37s/it] 18it [00:24, 1.37s/it] 19it [00:25, 1.37s/it] 20it [00:27, 1.37s/it] 21it [00:28, 1.38s/it] 22it [00:29, 1.38s/it] 23it [00:31, 1.38s/it] 24it [00:32, 1.38s/it] 25it [00:33, 1.37s/it] 26it [00:35, 1.37s/it] 27it [00:36, 1.38s/it] 28it [00:38, 1.38s/it] 29it [00:39, 1.38s/it] 30it [00:40, 1.37s/it] 31it [00:42, 1.38s/it] 32it [00:43, 1.37s/it] 33it [00:44, 1.36s/it] 34it [00:46, 1.37s/it] 35it [00:47, 1.37s/it] 36it [00:49, 1.36s/it] 37it [00:50, 1.36s/it] 38it [00:51, 1.36s/it] 39it [00:53, 1.37s/it] 40it [00:54, 1.36s/it] 41it [00:55, 1.37s/it] 42it [00:57, 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1.23s/it] 874it [19:28, 1.23s/it] 875it [19:29, 1.23s/it] 876it [19:30, 1.24s/it] 877it [19:31, 1.23s/it] 878it [19:32, 1.22s/it] 879it [19:34, 1.24s/it] 880it [19:35, 1.26s/it] 881it [19:36, 1.28s/it] 882it [19:38, 1.29s/it] 883it [19:39, 1.30s/it] 884it [19:40, 1.31s/it] 885it [19:42, 1.32s/it] 886it [19:43, 1.32s/it] 887it [19:44, 1.33s/it] 888it [19:46, 1.34s/it] 889it [19:47, 1.34s/it] 890it [19:48, 1.33s/it] 891it [19:50, 1.33s/it] 892it [19:51, 1.32s/it] 893it [19:52, 1.33s/it] 894it [19:54, 1.32s/it] 895it [19:55, 1.33s/it] 896it [19:56, 1.33s/it] 897it [19:58, 1.32s/it] 898it [19:59, 1.32s/it] 899it [20:00, 1.31s/it] 900it [20:02, 1.31s/it] 901it [20:03, 1.30s/it] 902it [20:04, 1.29s/it] 903it [20:05, 1.29s/it] 904it [20:07, 1.30s/it] 905it [20:08, 1.31s/it] 906it [20:09, 1.32s/it] 907it [20:11, 1.32s/it] 908it [20:12, 1.30s/it] 909it [20:13, 1.28s/it] 910it [20:14, 1.27s/it] 911it [20:16, 1.29s/it] 912it [20:17, 1.29s/it] 913it [20:18, 1.30s/it] 914it [20:20, 1.30s/it] 915it [20:21, 1.29s/it] 916it [20:22, 1.29s/it] 917it [20:24, 1.29s/it] 918it [20:25, 1.30s/it] 919it [20:26, 1.30s/it] 920it [20:27, 1.31s/it] 921it [20:29, 1.31s/it] 922it [20:30, 1.31s/it] 923it [20:31, 1.30s/it] 924it [20:33, 1.30s/it] 925it [20:34, 1.31s/it] 926it [20:35, 1.32s/it] 927it [20:37, 1.32s/it] 928it [20:38, 1.32s/it] 929it [20:39, 1.34s/it] 930it [20:41, 1.34s/it] 931it [20:42, 1.35s/it] 932it [20:43, 1.36s/it] 933it [20:45, 1.36s/it] 934it [20:46, 1.33s/it] 935it [20:47, 1.30s/it] 936it [20:49, 1.28s/it] 937it [20:50, 1.28s/it] 938it [20:51, 1.29s/it] 939it [20:52, 1.28s/it] 940it [20:54, 1.27s/it] 941it [20:55, 1.27s/it] 942it [20:56, 1.26s/it] 943it [20:58, 1.28s/it] 944it [20:59, 1.30s/it] 945it [21:00, 1.31s/it] 946it [21:01, 1.30s/it] 947it [21:03, 1.31s/it] 948it [21:04, 1.32s/it] 949it [21:05, 1.32s/it] 950it [21:07, 1.32s/it] 951it [21:08, 1.32s/it] 952it [21:09, 1.31s/it] 953it [21:11, 1.31s/it] 954it [21:12, 1.33s/it] 955it [21:13, 1.32s/it] 956it [21:15, 1.32s/it] 957it [21:16, 1.32s/it] 958it [21:17, 1.32s/it] 959it [21:19, 1.33s/it] 960it [21:20, 1.33s/it] 961it [21:21, 1.34s/it] 962it [21:23, 1.33s/it] 963it [21:24, 1.27s/it] 964it [21:25, 1.23s/it] 965it [21:26, 1.22s/it] 966it [21:27, 1.23s/it] 967it [21:29, 1.23s/it] 968it [21:30, 1.25s/it] 969it [21:31, 1.26s/it] 970it [21:32, 1.25s/it] 971it [21:34, 1.24s/it] 972it [21:35, 1.23s/it] 973it [21:36, 1.23s/it] 974it [21:37, 1.22s/it] 975it [21:39, 1.22s/it] 976it [21:40, 1.22s/it] 977it [21:41, 1.23s/it] 978it [21:42, 1.25s/it] 979it [21:44, 1.28s/it] 980it [21:45, 1.31s/it] 981it [21:46, 1.31s/it] 982it [21:48, 1.30s/it] 983it [21:49, 1.30s/it] 984it [21:50, 1.30s/it] 985it [21:52, 1.31s/it] 986it [21:53, 1.33s/it] 987it [21:54, 1.33s/it] 988it [21:56, 1.34s/it] 989it [21:57, 1.33s/it] 990it [21:58, 1.33s/it] 991it [22:00, 1.33s/it] 992it [22:01, 1.33s/it] 993it [22:02, 1.33s/it] 994it [22:04, 1.32s/it] 995it [22:05, 1.31s/it] 996it [22:06, 1.32s/it] 997it [22:07, 1.33s/it] 998it [22:09, 1.33s/it] 999it [22:10, 1.32s/it] 1000it [22:11, 1.30s/it] 1000it [22:11, 1.33s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:24.991804 +⏰ Completed process in 0:22:12.446793 diff --git a/chunked/d4-dock_022.csv.gz b/chunked/d4-dock_022.csv.gz index 5d924ffbb235c41ee73d7eeb48d9227c1eff1725..21946f5ed5b8c6e91147d4d1b74aae8e95d6525c 100644 --- a/chunked/d4-dock_022.csv.gz +++ b/chunked/d4-dock_022.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:c66bf746022b3026b02ca949b53a668cfabe06dc7e2413fcd3a6382b636671e6 -size 33965782 +oid sha256:3452d56e5e98ef68c6666b4da3abc7771aa08db0db55e712f3c6d5d257eb4387 +size 33965762 diff --git a/chunked/d4-dock_022.log b/chunked/d4-dock_022.log index ac0d7cc27914c88ac0349b64a9c62c305fe4a429..0fbcfa3fa238fc992cbb62e6444745a84ee27bb2 100644 --- a/chunked/d4-dock_022.log +++ b/chunked/d4-dock_022.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.35s/it] 2it [00:02, 1.34s/it] 3it [00:04, 1.33s/it] 4it [00:05, 1.32s/it] 5it [00:06, 1.33s/it] 6it [00:07, 1.32s/it] 7it [00:09, 1.30s/it] 8it [00:10, 1.29s/it] 9it [00:11, 1.28s/it] 10it [00:12, 1.26s/it] 11it [00:14, 1.25s/it] 12it [00:15, 1.24s/it] 13it [00:16, 1.25s/it] 14it [00:17, 1.27s/it] 15it [00:19, 1.27s/it] 16it [00:20, 1.26s/it] 17it [00:21, 1.25s/it] 18it [00:22, 1.24s/it] 19it [00:24, 1.23s/it] 20it [00:25, 1.24s/it] 21it [00:26, 1.23s/it] 22it [00:27, 1.23s/it] 23it [00:29, 1.24s/it] 24it [00:30, 1.24s/it] 25it [00:31, 1.24s/it] 26it [00:32, 1.26s/it] 27it [00:34, 1.26s/it] 28it [00:35, 1.27s/it] 29it [00:36, 1.27s/it] 30it [00:37, 1.27s/it] 31it [00:39, 1.27s/it] 32it [00:40, 1.24s/it] 33it [00:41, 1.25s/it] 34it [00:42, 1.25s/it] 35it [00:44, 1.26s/it] 36it [00:45, 1.29s/it] 37it [00:46, 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[14:16, 1.35s/it] 662it [14:17, 1.37s/it] 663it [14:18, 1.39s/it] 664it [14:20, 1.40s/it] 665it [14:21, 1.42s/it] 666it [14:23, 1.42s/it] 667it [14:24, 1.43s/it] 668it [14:26, 1.43s/it] 669it [14:27, 1.43s/it] 670it [14:29, 1.43s/it] 671it [14:30, 1.44s/it] 672it [14:31, 1.44s/it] 673it [14:33, 1.43s/it] 674it [14:34, 1.41s/it] 675it [14:36, 1.41s/it] 676it [14:37, 1.41s/it] 677it [14:38, 1.40s/it] 678it [14:40, 1.40s/it] 679it [14:41, 1.39s/it] 680it [14:43, 1.38s/it] 681it [14:44, 1.37s/it] 682it [14:45, 1.37s/it] 683it [14:47, 1.37s/it] 684it [14:48, 1.38s/it] 685it [14:49, 1.39s/it] 686it [14:51, 1.39s/it] 687it [14:52, 1.39s/it] 688it [14:54, 1.39s/it] 689it [14:55, 1.39s/it] 690it [14:56, 1.39s/it] 691it [14:58, 1.39s/it] 692it [14:59, 1.39s/it] 693it [15:01, 1.39s/it] 694it [15:02, 1.39s/it] 695it [15:03, 1.39s/it] 696it [15:05, 1.39s/it] 697it [15:06, 1.39s/it] 698it [15:08, 1.39s/it] 699it [15:09, 1.38s/it] 700it [15:10, 1.39s/it] 701it [15:12, 1.40s/it] 702it [15:13, 1.41s/it] 703it [15:15, 1.42s/it] 704it [15:16, 1.43s/it] 705it [15:17, 1.43s/it] 706it [15:19, 1.42s/it] 707it [15:20, 1.42s/it] 708it [15:22, 1.42s/it] 709it [15:23, 1.42s/it] 710it [15:25, 1.41s/it] 711it [15:26, 1.41s/it] 712it [15:27, 1.40s/it] 713it [15:29, 1.39s/it] 714it [15:30, 1.39s/it] 715it [15:32, 1.42s/it] 716it [15:33, 1.42s/it] 717it [15:34, 1.41s/it] 718it [15:36, 1.41s/it] 719it [15:37, 1.42s/it] 720it [15:39, 1.42s/it] 721it [15:40, 1.42s/it] 722it [15:41, 1.42s/it] 723it [15:43, 1.42s/it] 724it [15:44, 1.41s/it] 725it [15:46, 1.41s/it] 726it [15:47, 1.41s/it] 727it [15:48, 1.41s/it] 728it [15:50, 1.41s/it] 729it [15:51, 1.40s/it] 730it [15:53, 1.40s/it] 731it [15:54, 1.40s/it] 732it [15:55, 1.40s/it] 733it [15:57, 1.40s/it] 734it [15:58, 1.40s/it] 735it [16:00, 1.41s/it] 736it [16:01, 1.41s/it] 737it [16:03, 1.41s/it] 738it [16:04, 1.40s/it] 739it [16:05, 1.40s/it] 740it [16:07, 1.40s/it] 741it [16:08, 1.40s/it] 742it [16:10, 1.40s/it] 743it [16:11, 1.40s/it] 744it 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1.38s/it] 786it [17:11, 1.38s/it] 787it [17:12, 1.38s/it] 788it [17:14, 1.38s/it] 789it [17:15, 1.38s/it] 790it [17:16, 1.39s/it] 791it [17:18, 1.38s/it] 792it [17:19, 1.38s/it] 793it [17:20, 1.38s/it] 794it [17:22, 1.38s/it] 795it [17:23, 1.38s/it] 796it [17:25, 1.38s/it] 797it [17:26, 1.39s/it] 798it [17:27, 1.39s/it] 799it [17:29, 1.39s/it] 800it [17:30, 1.39s/it] 801it [17:32, 1.39s/it] 802it [17:33, 1.40s/it] 803it [17:34, 1.40s/it] 804it [17:36, 1.40s/it] 805it [17:37, 1.40s/it] 806it [17:39, 1.40s/it] 807it [17:40, 1.40s/it] 808it [17:41, 1.40s/it] 809it [17:43, 1.40s/it] 810it [17:44, 1.40s/it] 811it [17:46, 1.39s/it] 812it [17:47, 1.39s/it] 813it [17:48, 1.39s/it] 814it [17:50, 1.39s/it] 815it [17:51, 1.39s/it] 816it [17:52, 1.39s/it] 817it [17:54, 1.39s/it] 818it [17:55, 1.40s/it] 819it [17:57, 1.40s/it] 820it [17:58, 1.40s/it] 821it [17:59, 1.40s/it] 822it [18:01, 1.40s/it] 823it [18:02, 1.40s/it] 824it [18:04, 1.40s/it] 825it [18:05, 1.40s/it] 826it [18:06, 1.40s/it] 827it 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1.40s/it] 869it [19:07, 1.40s/it] 870it [19:08, 1.40s/it] 871it [19:09, 1.40s/it] 872it [19:11, 1.40s/it] 873it [19:12, 1.40s/it] 874it [19:14, 1.40s/it] 875it [19:15, 1.40s/it] 876it [19:16, 1.40s/it] 877it [19:18, 1.40s/it] 878it [19:19, 1.40s/it] 879it [19:21, 1.40s/it] 880it [19:22, 1.40s/it] 881it [19:23, 1.40s/it] 882it [19:25, 1.40s/it] 883it [19:26, 1.40s/it] 884it [19:28, 1.40s/it] 885it [19:29, 1.40s/it] 886it [19:30, 1.40s/it] 887it [19:32, 1.40s/it] 888it [19:33, 1.40s/it] 889it [19:35, 1.41s/it] 890it [19:36, 1.41s/it] 891it [19:38, 1.41s/it] 892it [19:39, 1.41s/it] 893it [19:40, 1.40s/it] 894it [19:42, 1.40s/it] 895it [19:43, 1.40s/it] 896it [19:45, 1.40s/it] 897it [19:46, 1.40s/it] 898it [19:47, 1.40s/it] 899it [19:49, 1.40s/it] 900it [19:50, 1.40s/it] 901it [19:51, 1.40s/it] 902it [19:53, 1.40s/it] 903it [19:54, 1.40s/it] 904it [19:56, 1.40s/it] 905it [19:57, 1.39s/it] 906it [19:58, 1.40s/it] 907it [20:00, 1.40s/it] 908it [20:01, 1.40s/it] 909it [20:03, 1.40s/it] 910it [20:04, 1.40s/it] 911it [20:05, 1.40s/it] 912it [20:07, 1.41s/it] 913it [20:08, 1.41s/it] 914it [20:10, 1.41s/it] 915it [20:11, 1.41s/it] 916it [20:13, 1.41s/it] 917it [20:14, 1.41s/it] 918it [20:15, 1.41s/it] 919it [20:17, 1.41s/it] 920it [20:18, 1.41s/it] 921it [20:20, 1.41s/it] 922it [20:21, 1.40s/it] 923it [20:22, 1.40s/it] 924it [20:24, 1.40s/it] 925it [20:25, 1.40s/it] 926it [20:27, 1.40s/it] 927it [20:28, 1.41s/it] 928it [20:29, 1.41s/it] 929it [20:31, 1.41s/it] 930it [20:32, 1.40s/it] 931it [20:34, 1.41s/it] 932it [20:35, 1.41s/it] 933it [20:36, 1.41s/it] 934it [20:38, 1.41s/it] 935it [20:39, 1.40s/it] 936it [20:41, 1.40s/it] 937it [20:42, 1.40s/it] 938it [20:43, 1.40s/it] 939it [20:45, 1.40s/it] 940it [20:46, 1.40s/it] 941it [20:48, 1.40s/it] 942it [20:49, 1.40s/it] 943it [20:50, 1.40s/it] 944it [20:52, 1.40s/it] 945it [20:53, 1.40s/it] 946it [20:55, 1.39s/it] 947it [20:56, 1.39s/it] 948it [20:57, 1.40s/it] 949it [20:59, 1.40s/it] 950it [21:00, 1.40s/it] 951it [21:02, 1.40s/it] 952it [21:03, 1.40s/it] 953it [21:04, 1.40s/it] 954it [21:06, 1.40s/it] 955it [21:07, 1.40s/it] 956it [21:09, 1.40s/it] 957it [21:10, 1.40s/it] 958it [21:11, 1.40s/it] 959it [21:13, 1.41s/it] 960it [21:14, 1.40s/it] 961it [21:16, 1.40s/it] 962it [21:17, 1.41s/it] 963it [21:18, 1.40s/it] 964it [21:20, 1.40s/it] 965it [21:21, 1.40s/it] 966it [21:23, 1.40s/it] 967it [21:24, 1.40s/it] 968it [21:25, 1.40s/it] 969it [21:27, 1.40s/it] 970it [21:28, 1.40s/it] 971it [21:30, 1.40s/it] 972it [21:31, 1.39s/it] 973it [21:32, 1.40s/it] 974it [21:34, 1.40s/it] 975it [21:35, 1.39s/it] 976it [21:37, 1.39s/it] 977it [21:38, 1.39s/it] 978it [21:39, 1.39s/it] 979it [21:41, 1.40s/it] 980it [21:42, 1.39s/it] 981it [21:44, 1.39s/it] 982it [21:45, 1.39s/it] 983it [21:46, 1.39s/it] 984it [21:48, 1.39s/it] 985it [21:49, 1.39s/it] 986it [21:51, 1.40s/it] 987it [21:52, 1.39s/it] 988it [21:53, 1.39s/it] 989it [21:55, 1.39s/it] 990it [21:56, 1.38s/it] 991it [21:57, 1.38s/it] 992it [21:59, 1.38s/it] 993it [22:00, 1.38s/it] 994it [22:02, 1.39s/it] 995it [22:03, 1.39s/it] 996it [22:04, 1.39s/it] 997it [22:06, 1.42s/it] 998it [22:07, 1.42s/it] 999it [22:09, 1.42s/it] 1000it [22:10, 1.42s/it] 1000it [22:10, 1.33s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:03.134320 +⏰ Completed process in 0:22:11.257162 diff --git a/chunked/d4-dock_023.csv.gz b/chunked/d4-dock_023.csv.gz index f9dbbd22228ed38b0cb516bddc8615f308485ba1..1aa64f8a883f99348055fde89256d1d818138e05 100644 --- a/chunked/d4-dock_023.csv.gz +++ b/chunked/d4-dock_023.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:2bd86417cfa5802832b464a4f05f8589a84970359d9043214473f4cb45d2e39c -size 35142170 +oid sha256:4ad2694e287ed2d0f0ecaebec63ff505252c966c21cd5d9d9cf386026bb3b2ed +size 35142139 diff --git a/chunked/d4-dock_023.log b/chunked/d4-dock_023.log index d4db1eea9e96618c89df87f0868adfac1ccad734..9b2f7f26ff47e3ec2aed61f0257643fa334770a9 100644 --- a/chunked/d4-dock_023.log +++ b/chunked/d4-dock_023.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.41s/it] 2it [00:02, 1.41s/it] 3it [00:04, 1.41s/it] 4it [00:05, 1.41s/it] 5it [00:07, 1.40s/it] 6it [00:08, 1.40s/it] 7it [00:09, 1.40s/it] 8it [00:11, 1.40s/it] 9it [00:12, 1.40s/it] 10it [00:14, 1.40s/it] 11it [00:15, 1.39s/it] 12it [00:16, 1.39s/it] 13it [00:18, 1.39s/it] 14it [00:19, 1.39s/it] 15it [00:20, 1.39s/it] 16it [00:22, 1.39s/it] 17it [00:23, 1.39s/it] 18it [00:25, 1.39s/it] 19it [00:26, 1.39s/it] 20it [00:27, 1.39s/it] 21it [00:29, 1.39s/it] 22it [00:30, 1.39s/it] 23it [00:32, 1.39s/it] 24it [00:33, 1.39s/it] 25it [00:34, 1.39s/it] 26it [00:36, 1.39s/it] 27it [00:37, 1.39s/it] 28it [00:38, 1.38s/it] 29it [00:40, 1.38s/it] 30it [00:41, 1.38s/it] 31it [00:43, 1.38s/it] 32it [00:44, 1.38s/it] 33it [00:45, 1.38s/it] 34it [00:47, 1.38s/it] 35it [00:48, 1.38s/it] 36it [00:50, 1.37s/it] 37it [00:51, 1.37s/it] 38it [00:52, 1.37s/it] 39it [00:54, 1.38s/it] 40it [00:55, 1.39s/it] 41it [00:56, 1.39s/it] 42it [00:58, 1.40s/it] 43it [00:59, 1.39s/it] 44it [01:01, 1.37s/it] 45it [01:02, 1.37s/it] 46it [01:03, 1.38s/it] 47it [01:05, 1.38s/it] 48it [01:06, 1.38s/it] 49it [01:07, 1.38s/it] 50it [01:09, 1.37s/it] 51it [01:10, 1.37s/it] 52it [01:12, 1.38s/it] 53it [01:13, 1.38s/it] 54it [01:14, 1.38s/it] 55it [01:16, 1.37s/it] 56it [01:17, 1.38s/it] 57it [01:18, 1.37s/it] 58it [01:20, 1.37s/it] 59it [01:21, 1.37s/it] 60it [01:23, 1.37s/it] 61it [01:24, 1.37s/it] 62it [01:25, 1.37s/it] 63it [01:27, 1.38s/it] 64it [01:28, 1.38s/it] 65it [01:29, 1.37s/it] 66it [01:31, 1.37s/it] 67it [01:32, 1.37s/it] 68it [01:34, 1.37s/it] 69it [01:35, 1.37s/it] 70it [01:36, 1.38s/it] 71it [01:38, 1.37s/it] 72it [01:39, 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[21:33, 1.40s/it] 944it [21:35, 1.40s/it] 945it [21:36, 1.40s/it] 946it [21:38, 1.40s/it] 947it [21:39, 1.40s/it] 948it [21:40, 1.40s/it] 949it [21:42, 1.40s/it] 950it [21:43, 1.40s/it] 951it [21:45, 1.40s/it] 952it [21:46, 1.39s/it] 953it [21:47, 1.39s/it] 954it [21:49, 1.39s/it] 955it [21:50, 1.39s/it] 956it [21:52, 1.39s/it] 957it [21:53, 1.39s/it] 958it [21:54, 1.39s/it] 959it [21:56, 1.39s/it] 960it [21:57, 1.39s/it] 961it [21:59, 1.39s/it] 962it [22:00, 1.39s/it] 963it [22:01, 1.39s/it] 964it [22:03, 1.39s/it] 965it [22:04, 1.40s/it] 966it [22:05, 1.39s/it] 967it [22:07, 1.40s/it] 968it [22:08, 1.40s/it] 969it [22:10, 1.40s/it] 970it [22:11, 1.39s/it] 971it [22:12, 1.40s/it] 972it [22:14, 1.39s/it] 973it [22:15, 1.40s/it] 974it [22:17, 1.40s/it] 975it [22:18, 1.40s/it] 976it [22:19, 1.39s/it] 977it [22:21, 1.39s/it] 978it [22:22, 1.39s/it] 979it [22:24, 1.39s/it] 980it [22:25, 1.39s/it] 981it [22:26, 1.39s/it] 982it [22:28, 1.38s/it] 983it [22:29, 1.38s/it] 984it [22:31, 1.38s/it] 985it [22:32, 1.39s/it] 986it [22:33, 1.38s/it] 987it [22:35, 1.38s/it] 988it [22:36, 1.38s/it] 989it [22:37, 1.38s/it] 990it [22:39, 1.38s/it] 991it [22:40, 1.38s/it] 992it [22:42, 1.38s/it] 993it [22:43, 1.38s/it] 994it [22:44, 1.38s/it] 995it [22:46, 1.38s/it] 996it [22:47, 1.38s/it] 997it [22:48, 1.38s/it] 998it [22:50, 1.38s/it] 999it [22:51, 1.37s/it] 1000it [22:53, 1.37s/it] 1000it [22:53, 1.37s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:46.552937 +⏰ Completed process in 0:22:53.553483 diff --git a/chunked/d4-dock_024.csv.gz b/chunked/d4-dock_024.csv.gz index 2e6f1f5e8e3826c1fd03dba089f4981742a2cae9..3fce9f03d940db319b1c0784b0a342d6848eb2f0 100644 --- a/chunked/d4-dock_024.csv.gz +++ b/chunked/d4-dock_024.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:eac8360fc37ef31000a86a4fc4a6207061b98da3ae64a19ab4aa2d811c6f3748 -size 36066197 +oid sha256:472f393206b28783658c3c6753b3b01e59518306cc6212eb4bc11c4bf432bf84 +size 36066166 diff --git a/chunked/d4-dock_024.log b/chunked/d4-dock_024.log index 73a767be6cbf12a07b9eb1bd03136213a00b1b5d..f3b95690d554039b719486f90a3209bff5e89a7c 100644 --- a/chunked/d4-dock_024.log +++ b/chunked/d4-dock_024.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.37s/it] 2it [00:02, 1.38s/it] 3it [00:04, 1.37s/it] 4it [00:05, 1.36s/it] 5it [00:06, 1.36s/it] 6it [00:08, 1.36s/it] 7it [00:09, 1.36s/it] 8it [00:10, 1.36s/it] 9it [00:12, 1.36s/it] 10it [00:13, 1.36s/it] 11it [00:14, 1.36s/it] 12it [00:16, 1.36s/it] 13it [00:17, 1.36s/it] 14it [00:19, 1.36s/it] 15it [00:20, 1.36s/it] 16it [00:21, 1.36s/it] 17it [00:23, 1.36s/it] 18it [00:24, 1.36s/it] 19it [00:25, 1.35s/it] 20it [00:27, 1.36s/it] 21it [00:28, 1.35s/it] 22it 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1.38s/it] 730it [16:39, 1.38s/it] 731it [16:41, 1.38s/it] 732it [16:42, 1.38s/it] 733it [16:43, 1.38s/it] 734it [16:45, 1.38s/it] 735it [16:46, 1.39s/it] 736it [16:47, 1.39s/it] 737it [16:49, 1.39s/it] 738it [16:50, 1.39s/it] 739it [16:52, 1.39s/it] 740it [16:53, 1.39s/it] 741it [16:54, 1.39s/it] 742it [16:56, 1.38s/it] 743it [16:57, 1.39s/it] 744it [16:59, 1.39s/it] 745it [17:00, 1.39s/it] 746it [17:01, 1.39s/it] 747it [17:03, 1.39s/it] 748it [17:04, 1.39s/it] 749it [17:06, 1.39s/it] 750it [17:07, 1.39s/it] 751it [17:08, 1.39s/it] 752it [17:10, 1.39s/it] 753it [17:11, 1.38s/it] 754it [17:12, 1.38s/it] 755it [17:14, 1.38s/it] 756it [17:15, 1.38s/it] 757it [17:17, 1.38s/it] 758it [17:18, 1.38s/it] 759it [17:19, 1.38s/it] 760it [17:21, 1.38s/it] 761it [17:22, 1.38s/it] 762it [17:23, 1.38s/it] 763it [17:25, 1.38s/it] 764it [17:26, 1.38s/it] 765it [17:28, 1.38s/it] 766it [17:29, 1.38s/it] 767it [17:30, 1.38s/it] 768it [17:32, 1.38s/it] 769it [17:33, 1.38s/it] 770it [17:35, 1.38s/it] 771it [17:36, 1.38s/it] 772it [17:37, 1.38s/it] 773it [17:39, 1.38s/it] 774it [17:40, 1.37s/it] 775it [17:41, 1.37s/it] 776it [17:43, 1.37s/it] 777it [17:44, 1.37s/it] 778it [17:45, 1.37s/it] 779it [17:47, 1.37s/it] 780it [17:48, 1.37s/it] 781it [17:50, 1.37s/it] 782it [17:51, 1.37s/it] 783it [17:52, 1.36s/it] 784it [17:54, 1.37s/it] 785it [17:55, 1.37s/it] 786it [17:56, 1.37s/it] 787it [17:58, 1.37s/it] 788it [17:59, 1.37s/it] 789it [18:01, 1.37s/it] 790it [18:02, 1.37s/it] 791it [18:03, 1.37s/it] 792it [18:05, 1.37s/it] 793it [18:06, 1.37s/it] 794it [18:07, 1.36s/it] 795it [18:09, 1.36s/it] 796it [18:10, 1.36s/it] 797it [18:11, 1.36s/it] 798it [18:13, 1.36s/it] 799it [18:14, 1.36s/it] 800it [18:16, 1.36s/it] 801it [18:17, 1.36s/it] 802it [18:18, 1.36s/it] 803it [18:20, 1.37s/it] 804it [18:21, 1.36s/it] 805it [18:22, 1.37s/it] 806it [18:24, 1.37s/it] 807it [18:25, 1.36s/it] 808it [18:26, 1.36s/it] 809it [18:28, 1.36s/it] 810it [18:29, 1.37s/it] 811it [18:31, 1.37s/it] 812it [18:32, 1.37s/it] 813it [18:33, 1.37s/it] 814it [18:35, 1.37s/it] 815it [18:36, 1.37s/it] 816it [18:37, 1.37s/it] 817it [18:39, 1.37s/it] 818it [18:40, 1.37s/it] 819it [18:42, 1.37s/it] 820it [18:43, 1.37s/it] 821it [18:44, 1.37s/it] 822it [18:46, 1.37s/it] 823it [18:47, 1.37s/it] 824it [18:48, 1.37s/it] 825it [18:50, 1.37s/it] 826it [18:51, 1.37s/it] 827it [18:52, 1.38s/it] 828it [18:54, 1.38s/it] 829it [18:55, 1.38s/it] 830it [18:57, 1.38s/it] 831it [18:58, 1.38s/it] 832it [18:59, 1.37s/it] 833it [19:01, 1.38s/it] 834it [19:02, 1.38s/it] 835it [19:03, 1.37s/it] 836it [19:05, 1.37s/it] 837it [19:06, 1.37s/it] 838it [19:08, 1.37s/it] 839it [19:09, 1.37s/it] 840it [19:10, 1.37s/it] 841it [19:12, 1.37s/it] 842it [19:13, 1.37s/it] 843it [19:14, 1.37s/it] 844it [19:16, 1.38s/it] 845it [19:17, 1.37s/it] 846it [19:19, 1.38s/it] 847it [19:20, 1.37s/it] 848it [19:21, 1.37s/it] 849it [19:23, 1.37s/it] 850it [19:24, 1.37s/it] 851it [19:25, 1.37s/it] 852it [19:27, 1.37s/it] 853it [19:28, 1.37s/it] 854it [19:30, 1.37s/it] 855it [19:31, 1.37s/it] 856it [19:32, 1.37s/it] 857it [19:34, 1.37s/it] 858it [19:35, 1.38s/it] 859it [19:36, 1.38s/it] 860it [19:38, 1.38s/it] 861it [19:39, 1.37s/it] 862it [19:41, 1.37s/it] 863it [19:42, 1.37s/it] 864it [19:43, 1.38s/it] 865it [19:45, 1.38s/it] 866it [19:46, 1.38s/it] 867it [19:47, 1.38s/it] 868it [19:49, 1.38s/it] 869it [19:50, 1.39s/it] 870it [19:52, 1.39s/it] 871it [19:53, 1.39s/it] 872it [19:54, 1.39s/it] 873it [19:56, 1.39s/it] 874it [19:57, 1.39s/it] 875it [19:59, 1.39s/it] 876it [20:00, 1.39s/it] 877it [20:01, 1.39s/it] 878it [20:03, 1.39s/it] 879it [20:04, 1.38s/it] 880it [20:05, 1.38s/it] 881it [20:07, 1.38s/it] 882it [20:08, 1.38s/it] 883it [20:10, 1.38s/it] 884it [20:11, 1.38s/it] 885it [20:12, 1.39s/it] 886it [20:14, 1.38s/it] 887it [20:15, 1.38s/it] 888it [20:17, 1.38s/it] 889it [20:18, 1.39s/it] 890it [20:19, 1.39s/it] 891it [20:21, 1.38s/it] 892it [20:22, 1.38s/it] 893it [20:23, 1.38s/it] 894it [20:25, 1.37s/it] 895it [20:26, 1.37s/it] 896it [20:28, 1.37s/it] 897it [20:29, 1.37s/it] 898it [20:30, 1.37s/it] 899it [20:32, 1.36s/it] 900it [20:33, 1.36s/it] 901it [20:34, 1.36s/it] 902it [20:36, 1.36s/it] 903it [20:37, 1.36s/it] 904it [20:38, 1.36s/it] 905it [20:40, 1.36s/it] 906it [20:41, 1.36s/it] 907it [20:43, 1.36s/it] 908it [20:44, 1.36s/it] 909it [20:45, 1.36s/it] 910it [20:47, 1.36s/it] 911it [20:48, 1.36s/it] 912it [20:49, 1.36s/it] 913it [20:51, 1.36s/it] 914it [20:52, 1.36s/it] 915it [20:53, 1.36s/it] 916it [20:55, 1.36s/it] 917it [20:56, 1.36s/it] 918it [20:57, 1.36s/it] 919it [20:59, 1.36s/it] 920it [21:00, 1.36s/it] 921it [21:02, 1.36s/it] 922it [21:03, 1.36s/it] 923it [21:04, 1.36s/it] 924it [21:06, 1.35s/it] 925it [21:07, 1.35s/it] 926it [21:08, 1.35s/it] 927it [21:10, 1.35s/it] 928it [21:11, 1.35s/it] 929it [21:12, 1.36s/it] 930it [21:14, 1.36s/it] 931it [21:15, 1.35s/it] 932it [21:16, 1.36s/it] 933it [21:18, 1.35s/it] 934it [21:19, 1.35s/it] 935it [21:20, 1.35s/it] 936it [21:22, 1.35s/it] 937it [21:23, 1.36s/it] 938it [21:25, 1.35s/it] 939it [21:26, 1.36s/it] 940it [21:27, 1.36s/it] 941it [21:29, 1.36s/it] 942it [21:30, 1.36s/it] 943it [21:31, 1.36s/it] 944it [21:33, 1.36s/it] 945it [21:34, 1.36s/it] 946it [21:35, 1.36s/it] 947it [21:37, 1.36s/it] 948it [21:38, 1.36s/it] 949it [21:40, 1.36s/it] 950it [21:41, 1.36s/it] 951it [21:42, 1.36s/it] 952it [21:44, 1.37s/it] 953it [21:45, 1.36s/it] 954it [21:46, 1.36s/it] 955it [21:48, 1.36s/it] 956it [21:49, 1.35s/it] 957it [21:50, 1.36s/it] 958it [21:52, 1.36s/it] 959it [21:53, 1.35s/it] 960it [21:54, 1.36s/it] 961it [21:56, 1.35s/it] 962it [21:57, 1.36s/it] 963it [21:59, 1.36s/it] 964it [22:00, 1.37s/it] 965it [22:01, 1.37s/it] 966it [22:03, 1.37s/it] 967it [22:04, 1.37s/it] 968it [22:05, 1.37s/it] 969it [22:07, 1.38s/it] 970it [22:08, 1.38s/it] 971it [22:10, 1.38s/it] 972it [22:11, 1.38s/it] 973it [22:12, 1.38s/it] 974it [22:14, 1.38s/it] 975it [22:15, 1.38s/it] 976it [22:16, 1.37s/it] 977it [22:18, 1.37s/it] 978it [22:19, 1.38s/it] 979it [22:21, 1.38s/it] 980it [22:22, 1.38s/it] 981it [22:23, 1.38s/it] 982it [22:25, 1.38s/it] 983it [22:26, 1.38s/it] 984it [22:27, 1.38s/it] 985it [22:29, 1.38s/it] 986it [22:30, 1.37s/it] 987it [22:32, 1.38s/it] 988it [22:33, 1.37s/it] 989it [22:34, 1.37s/it] 990it [22:36, 1.37s/it] 991it [22:37, 1.36s/it] 992it [22:38, 1.36s/it] 993it [22:40, 1.36s/it] 994it [22:41, 1.36s/it] 995it [22:43, 1.37s/it] 996it [22:44, 1.37s/it] 997it [22:45, 1.37s/it] 998it [22:47, 1.37s/it] 999it [22:48, 1.37s/it] 1000it [22:49, 1.37s/it] 1000it [22:49, 1.37s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:40.684542 +⏰ Completed process in 0:22:50.392457 diff --git a/chunked/d4-dock_025.csv.gz b/chunked/d4-dock_025.csv.gz index c2f53e0dbfd35960bf50b2b8b4ed68187f02ba86..632efbdfdf85d663bfe4816aebc6ee15a137eb00 100644 --- a/chunked/d4-dock_025.csv.gz +++ b/chunked/d4-dock_025.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:e3214db1e9f0eae6a1fcccb2559ad406a0ba089055e88ec496e48af8f9f43ef9 -size 35738519 +oid sha256:385a8cf140c4c2815f04a410f2fb5997bff4c57664ec610fd729e1a26df8763c +size 35738533 diff --git a/chunked/d4-dock_025.log b/chunked/d4-dock_025.log index d1e575e82e09aa9cf988e9de63b8c72339286a44..444a7aa0f595057685f59c70f568b5d3764196f8 100644 --- a/chunked/d4-dock_025.log +++ b/chunked/d4-dock_025.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.40s/it] 2it [00:02, 1.39s/it] 3it [00:04, 1.40s/it] 4it [00:05, 1.40s/it] 5it [00:06, 1.40s/it] 6it [00:08, 1.40s/it] 7it [00:09, 1.40s/it] 8it [00:11, 1.40s/it] 9it [00:12, 1.40s/it] 10it [00:13, 1.40s/it] 11it [00:15, 1.41s/it] 12it [00:16, 1.41s/it] 13it [00:18, 1.41s/it] 14it [00:19, 1.41s/it] 15it [00:21, 1.41s/it] 16it [00:22, 1.42s/it] 17it [00:23, 1.41s/it] 18it [00:25, 1.41s/it] 19it [00:26, 1.41s/it] 20it [00:28, 1.41s/it] 21it [00:29, 1.41s/it] 22it [00:30, 1.40s/it] 23it [00:32, 1.40s/it] 24it [00:33, 1.40s/it] 25it [00:35, 1.40s/it] 26it [00:36, 1.40s/it] 27it [00:37, 1.40s/it] 28it [00:39, 1.40s/it] 29it [00:40, 1.40s/it] 30it [00:42, 1.41s/it] 31it [00:43, 1.41s/it] 32it [00:44, 1.42s/it] 33it [00:46, 1.41s/it] 34it [00:47, 1.41s/it] 35it [00:49, 1.41s/it] 36it [00:50, 1.41s/it] 37it [00:52, 1.41s/it] 38it [00:53, 1.41s/it] 39it [00:54, 1.41s/it] 40it [00:56, 1.41s/it] 41it [00:57, 1.40s/it] 42it [00:59, 1.40s/it] 43it [01:00, 1.40s/it] 44it [01:01, 1.40s/it] 45it [01:03, 1.40s/it] 46it [01:04, 1.39s/it] 47it [01:06, 1.40s/it] 48it [01:07, 1.40s/it] 49it [01:08, 1.40s/it] 50it [01:10, 1.39s/it] 51it [01:11, 1.40s/it] 52it [01:12, 1.39s/it] 53it [01:14, 1.39s/it] 54it [01:15, 1.39s/it] 55it [01:17, 1.39s/it] 56it [01:18, 1.39s/it] 57it [01:19, 1.40s/it] 58it [01:21, 1.39s/it] 59it [01:22, 1.39s/it] 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1.35s/it] 973it [21:54, 1.35s/it] 974it [21:56, 1.35s/it] 975it [21:57, 1.35s/it] 976it [21:58, 1.34s/it] 977it [22:00, 1.36s/it] 978it [22:01, 1.35s/it] 979it [22:02, 1.36s/it] 980it [22:04, 1.36s/it] 981it [22:05, 1.35s/it] 982it [22:06, 1.35s/it] 983it [22:08, 1.35s/it] 984it [22:09, 1.35s/it] 985it [22:11, 1.37s/it] 986it [22:12, 1.37s/it] 987it [22:13, 1.37s/it] 988it [22:15, 1.37s/it] 989it [22:16, 1.37s/it] 990it [22:17, 1.36s/it] 991it [22:19, 1.36s/it] 992it [22:20, 1.35s/it] 993it [22:21, 1.35s/it] 994it [22:23, 1.34s/it] 995it [22:24, 1.34s/it] 996it [22:25, 1.35s/it] 997it [22:27, 1.35s/it] 998it [22:28, 1.34s/it] 999it [22:29, 1.35s/it] 1000it [22:31, 1.34s/it] 1000it [22:31, 1.35s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:23:17.856696 +⏰ Completed process in 0:22:31.897118 diff --git a/chunked/d4-dock_026.csv.gz b/chunked/d4-dock_026.csv.gz index eeeb6f85985e2ae88035f4ab7d8c3dff83014185..2630e234fd15343d55d154d7009277e693487cff 100644 --- a/chunked/d4-dock_026.csv.gz +++ b/chunked/d4-dock_026.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:5db35b03a79f2993208f98fb78ee50c01e528ed1caba62d8e8a8e6def8fed307 -size 35393726 +oid sha256:e3866f92100d111edf3e0026576c1d19448bb786d17461859e97c23c3356054e +size 35393736 diff --git a/chunked/d4-dock_026.log b/chunked/d4-dock_026.log index 97103d79c8ecc5364ad8ae175c8561d711664d91..1172c3a600502aba379bc445cfc854d65dbf0cb4 100644 --- a/chunked/d4-dock_026.log +++ b/chunked/d4-dock_026.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.35s/it] 2it [00:02, 1.34s/it] 3it [00:04, 1.35s/it] 4it [00:05, 1.35s/it] 5it [00:06, 1.35s/it] 6it [00:08, 1.35s/it] 7it [00:09, 1.35s/it] 8it [00:10, 1.35s/it] 9it [00:12, 1.35s/it] 10it [00:13, 1.34s/it] 11it [00:14, 1.34s/it] 12it [00:16, 1.35s/it] 13it [00:17, 1.34s/it] 14it [00:18, 1.34s/it] 15it [00:20, 1.35s/it] 16it [00:21, 1.35s/it] 17it [00:22, 1.35s/it] 18it [00:24, 1.35s/it] 19it [00:25, 1.34s/it] 20it [00:26, 1.34s/it] 21it [00:28, 1.34s/it] 22it [00:29, 1.33s/it] 23it [00:30, 1.33s/it] 24it [00:32, 1.33s/it] 25it [00:33, 1.33s/it] 26it [00:34, 1.33s/it] 27it [00:36, 1.33s/it] 28it [00:37, 1.33s/it] 29it [00:38, 1.33s/it] 30it [00:40, 1.33s/it] 31it [00:41, 1.33s/it] 32it [00:42, 1.33s/it] 33it [00:44, 1.33s/it] 34it [00:45, 1.33s/it] 35it [00:46, 1.32s/it] 36it [00:48, 1.32s/it] 37it [00:49, 1.32s/it] 38it [00:50, 1.32s/it] 39it [00:52, 1.32s/it] 40it [00:53, 1.32s/it] 41it [00:54, 1.32s/it] 42it [00:56, 1.32s/it] 43it [00:57, 1.32s/it] 44it [00:58, 1.32s/it] 45it [01:00, 1.32s/it] 46it [01:01, 1.32s/it] 47it [01:02, 1.32s/it] 48it [01:04, 1.32s/it] 49it [01:05, 1.32s/it] 50it [01:06, 1.32s/it] 51it [01:07, 1.32s/it] 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1.34s/it] 800it [17:54, 1.34s/it] 801it [17:55, 1.34s/it] 802it [17:56, 1.34s/it] 803it [17:58, 1.34s/it] 804it [17:59, 1.34s/it] 805it [18:00, 1.34s/it] 806it [18:02, 1.34s/it] 807it [18:03, 1.33s/it] 808it [18:04, 1.33s/it] 809it [18:06, 1.33s/it] 810it [18:07, 1.33s/it] 811it [18:08, 1.33s/it] 812it [18:10, 1.32s/it] 813it [18:11, 1.32s/it] 814it [18:12, 1.32s/it] 815it [18:14, 1.33s/it] 816it [18:15, 1.33s/it] 817it [18:16, 1.33s/it] 818it [18:17, 1.33s/it] 819it [18:19, 1.33s/it] 820it [18:20, 1.33s/it] 821it [18:21, 1.33s/it] 822it [18:23, 1.33s/it] 823it [18:24, 1.34s/it] 824it [18:26, 1.34s/it] 825it [18:27, 1.33s/it] 826it [18:28, 1.33s/it] 827it [18:30, 1.35s/it] 828it [18:31, 1.35s/it] 829it [18:32, 1.34s/it] 830it [18:34, 1.34s/it] 831it [18:35, 1.34s/it] 832it [18:36, 1.34s/it] 833it [18:38, 1.34s/it] 834it [18:39, 1.34s/it] 835it [18:40, 1.34s/it] 836it [18:42, 1.33s/it] 837it [18:43, 1.34s/it] 838it [18:44, 1.34s/it] 839it [18:46, 1.34s/it] 840it [18:47, 1.34s/it] 841it 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[20:39, 1.33s/it] 925it [20:40, 1.33s/it] 926it [20:41, 1.33s/it] 927it [20:43, 1.33s/it] 928it [20:44, 1.33s/it] 929it [20:45, 1.33s/it] 930it [20:47, 1.33s/it] 931it [20:48, 1.33s/it] 932it [20:49, 1.33s/it] 933it [20:51, 1.33s/it] 934it [20:52, 1.34s/it] 935it [20:53, 1.34s/it] 936it [20:55, 1.33s/it] 937it [20:56, 1.34s/it] 938it [20:57, 1.33s/it] 939it [20:59, 1.33s/it] 940it [21:00, 1.33s/it] 941it [21:01, 1.33s/it] 942it [21:03, 1.33s/it] 943it [21:04, 1.33s/it] 944it [21:05, 1.33s/it] 945it [21:07, 1.33s/it] 946it [21:08, 1.33s/it] 947it [21:09, 1.33s/it] 948it [21:11, 1.33s/it] 949it [21:12, 1.32s/it] 950it [21:13, 1.32s/it] 951it [21:15, 1.32s/it] 952it [21:16, 1.32s/it] 953it [21:17, 1.31s/it] 954it [21:19, 1.31s/it] 955it [21:20, 1.32s/it] 956it [21:21, 1.32s/it] 957it [21:23, 1.32s/it] 958it [21:24, 1.33s/it] 959it [21:25, 1.33s/it] 960it [21:26, 1.32s/it] 961it [21:28, 1.33s/it] 962it [21:29, 1.33s/it] 963it [21:31, 1.34s/it] 964it [21:32, 1.34s/it] 965it [21:33, 1.34s/it] 966it [21:35, 1.34s/it] 967it [21:36, 1.34s/it] 968it [21:37, 1.34s/it] 969it [21:39, 1.35s/it] 970it [21:40, 1.34s/it] 971it [21:41, 1.35s/it] 972it [21:43, 1.34s/it] 973it [21:44, 1.34s/it] 974it [21:45, 1.35s/it] 975it [21:47, 1.35s/it] 976it [21:48, 1.35s/it] 977it [21:49, 1.35s/it] 978it [21:51, 1.35s/it] 979it [21:52, 1.35s/it] 980it [21:53, 1.35s/it] 981it [21:55, 1.35s/it] 982it [21:56, 1.35s/it] 983it [21:57, 1.35s/it] 984it [21:59, 1.35s/it] 985it [22:00, 1.35s/it] 986it [22:02, 1.36s/it] 987it [22:03, 1.36s/it] 988it [22:04, 1.36s/it] 989it [22:06, 1.35s/it] 990it [22:07, 1.36s/it] 991it [22:08, 1.36s/it] 992it [22:10, 1.35s/it] 993it [22:11, 1.35s/it] 994it [22:12, 1.35s/it] 995it [22:14, 1.35s/it] 996it [22:15, 1.35s/it] 997it [22:16, 1.35s/it] 998it [22:18, 1.35s/it] 999it [22:19, 1.35s/it] 1000it [22:20, 1.36s/it] 1000it [22:21, 1.34s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:28.315172 +⏰ Completed process in 0:22:21.597011 diff --git a/chunked/d4-dock_027.csv.gz b/chunked/d4-dock_027.csv.gz index e931ea8560a1835b013b1be6381dc4f1ed8bf2e6..1623e3e075f8443a46b63e4a38ed289a20056959 100644 --- a/chunked/d4-dock_027.csv.gz +++ b/chunked/d4-dock_027.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:2b4ac6f30ce86685533ea8e20a8ed29374901f1b710fecae1b1ae54ffc8dd507 -size 35384909 +oid sha256:6c66a31f86fb0173b358e7784f7adc30c503e6c3d202dd4c0f3d25d67b96b777 +size 35384888 diff --git a/chunked/d4-dock_027.log b/chunked/d4-dock_027.log index 1430b381d88de71412a6e7838a7b87946ecdfb0c..9fb3b3744f603066cc04bf87158cd2866430da6c 100644 --- a/chunked/d4-dock_027.log +++ b/chunked/d4-dock_027.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.37s/it] 2it [00:02, 1.37s/it] 3it [00:04, 1.36s/it] 4it [00:05, 1.36s/it] 5it [00:06, 1.36s/it] 6it [00:08, 1.37s/it] 7it [00:09, 1.37s/it] 8it [00:10, 1.37s/it] 9it [00:12, 1.37s/it] 10it [00:13, 1.37s/it] 11it [00:15, 1.37s/it] 12it [00:16, 1.37s/it] 13it [00:17, 1.37s/it] 14it [00:19, 1.37s/it] 15it [00:20, 1.37s/it] 16it [00:21, 1.36s/it] 17it [00:23, 1.37s/it] 18it [00:24, 1.36s/it] 19it [00:25, 1.36s/it] 20it [00:27, 1.36s/it] 21it [00:28, 1.35s/it] 22it [00:29, 1.36s/it] 23it [00:31, 1.36s/it] 24it [00:32, 1.35s/it] 25it [00:34, 1.35s/it] 26it [00:35, 1.35s/it] 27it [00:36, 1.35s/it] 28it [00:38, 1.35s/it] 29it [00:39, 1.35s/it] 30it [00:40, 1.35s/it] 31it [00:42, 1.35s/it] 32it [00:43, 1.35s/it] 33it [00:44, 1.35s/it] 34it [00:46, 1.34s/it] 35it [00:47, 1.34s/it] 36it [00:48, 1.34s/it] 37it [00:50, 1.35s/it] 38it [00:51, 1.35s/it] 39it [00:52, 1.34s/it] 40it [00:54, 1.34s/it] 41it [00:55, 1.35s/it] 42it [00:56, 1.35s/it] 43it [00:58, 1.35s/it] 44it [00:59, 1.35s/it] 45it [01:00, 1.35s/it] 46it [01:02, 1.35s/it] 47it 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1.35s/it] 671it [15:07, 1.35s/it] 672it [15:08, 1.35s/it] 673it [15:09, 1.36s/it] 674it [15:11, 1.36s/it] 675it [15:12, 1.35s/it] 676it [15:13, 1.35s/it] 677it [15:15, 1.35s/it] 678it [15:16, 1.35s/it] 679it [15:17, 1.35s/it] 680it [15:19, 1.35s/it] 681it [15:20, 1.35s/it] 682it [15:21, 1.35s/it] 683it [15:23, 1.35s/it] 684it [15:24, 1.35s/it] 685it [15:25, 1.35s/it] 686it [15:27, 1.36s/it] 687it [15:28, 1.36s/it] 688it [15:30, 1.36s/it] 689it [15:31, 1.36s/it] 690it [15:32, 1.36s/it] 691it [15:34, 1.35s/it] 692it [15:35, 1.35s/it] 693it [15:36, 1.35s/it] 694it [15:38, 1.34s/it] 695it [15:39, 1.35s/it] 696it [15:40, 1.35s/it] 697it [15:42, 1.36s/it] 698it [15:43, 1.36s/it] 699it [15:44, 1.35s/it] 700it [15:46, 1.35s/it] 701it [15:47, 1.35s/it] 702it [15:48, 1.35s/it] 703it [15:50, 1.35s/it] 704it [15:51, 1.35s/it] 705it [15:53, 1.36s/it] 706it [15:54, 1.36s/it] 707it [15:55, 1.35s/it] 708it [15:57, 1.35s/it] 709it [15:58, 1.35s/it] 710it [15:59, 1.35s/it] 711it [16:01, 1.35s/it] 712it 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1.36s/it] 754it [16:59, 1.36s/it] 755it [17:00, 1.36s/it] 756it [17:01, 1.36s/it] 757it [17:03, 1.36s/it] 758it [17:04, 1.36s/it] 759it [17:06, 1.36s/it] 760it [17:07, 1.36s/it] 761it [17:08, 1.37s/it] 762it [17:10, 1.37s/it] 763it [17:11, 1.37s/it] 764it [17:12, 1.36s/it] 765it [17:14, 1.36s/it] 766it [17:15, 1.36s/it] 767it [17:16, 1.36s/it] 768it [17:18, 1.36s/it] 769it [17:19, 1.36s/it] 770it [17:21, 1.36s/it] 771it [17:22, 1.36s/it] 772it [17:23, 1.36s/it] 773it [17:25, 1.36s/it] 774it [17:26, 1.36s/it] 775it [17:27, 1.36s/it] 776it [17:29, 1.36s/it] 777it [17:30, 1.36s/it] 778it [17:31, 1.36s/it] 779it [17:33, 1.35s/it] 780it [17:34, 1.35s/it] 781it [17:35, 1.35s/it] 782it [17:37, 1.35s/it] 783it [17:38, 1.35s/it] 784it [17:39, 1.35s/it] 785it [17:41, 1.35s/it] 786it [17:42, 1.35s/it] 787it [17:43, 1.35s/it] 788it [17:45, 1.35s/it] 789it [17:46, 1.35s/it] 790it [17:48, 1.35s/it] 791it [17:49, 1.35s/it] 792it [17:50, 1.35s/it] 793it [17:52, 1.35s/it] 794it [17:53, 1.36s/it] 795it [17:54, 1.36s/it] 796it [17:56, 1.35s/it] 797it [17:57, 1.35s/it] 798it [17:58, 1.35s/it] 799it [18:00, 1.35s/it] 800it [18:01, 1.35s/it] 801it [18:02, 1.35s/it] 802it [18:04, 1.35s/it] 803it [18:05, 1.35s/it] 804it [18:06, 1.35s/it] 805it [18:08, 1.35s/it] 806it [18:09, 1.35s/it] 807it [18:11, 1.35s/it] 808it [18:12, 1.35s/it] 809it [18:13, 1.35s/it] 810it [18:15, 1.35s/it] 811it [18:16, 1.35s/it] 812it [18:17, 1.35s/it] 813it [18:19, 1.35s/it] 814it [18:20, 1.35s/it] 815it [18:21, 1.35s/it] 816it [18:23, 1.35s/it] 817it [18:24, 1.35s/it] 818it [18:25, 1.35s/it] 819it [18:27, 1.35s/it] 820it [18:28, 1.35s/it] 821it [18:29, 1.35s/it] 822it [18:31, 1.36s/it] 823it [18:32, 1.36s/it] 824it [18:34, 1.36s/it] 825it [18:35, 1.36s/it] 826it [18:36, 1.35s/it] 827it [18:38, 1.37s/it] 828it [18:39, 1.36s/it] 829it [18:40, 1.36s/it] 830it [18:42, 1.36s/it] 831it [18:43, 1.36s/it] 832it [18:44, 1.36s/it] 833it [18:46, 1.36s/it] 834it [18:47, 1.36s/it] 835it [18:49, 1.36s/it] 836it [18:50, 1.36s/it] 837it [18:51, 1.36s/it] 838it [18:53, 1.36s/it] 839it [18:54, 1.36s/it] 840it [18:55, 1.36s/it] 841it [18:57, 1.36s/it] 842it [18:58, 1.35s/it] 843it [18:59, 1.36s/it] 844it [19:01, 1.35s/it] 845it [19:02, 1.35s/it] 846it [19:03, 1.36s/it] 847it [19:05, 1.36s/it] 848it [19:06, 1.36s/it] 849it [19:07, 1.36s/it] 850it [19:09, 1.36s/it] 851it [19:10, 1.36s/it] 852it [19:12, 1.36s/it] 853it [19:13, 1.36s/it] 854it [19:14, 1.36s/it] 855it [19:16, 1.36s/it] 856it [19:17, 1.36s/it] 857it [19:18, 1.36s/it] 858it [19:20, 1.36s/it] 859it [19:21, 1.36s/it] 860it [19:22, 1.36s/it] 861it [19:24, 1.36s/it] 862it [19:25, 1.36s/it] 863it [19:27, 1.36s/it] 864it [19:28, 1.36s/it] 865it [19:29, 1.36s/it] 866it [19:31, 1.36s/it] 867it [19:32, 1.36s/it] 868it [19:33, 1.36s/it] 869it [19:35, 1.37s/it] 870it [19:36, 1.36s/it] 871it [19:37, 1.36s/it] 872it [19:39, 1.36s/it] 873it [19:40, 1.36s/it] 874it [19:42, 1.36s/it] 875it [19:43, 1.36s/it] 876it [19:44, 1.37s/it] 877it [19:46, 1.37s/it] 878it [19:47, 1.37s/it] 879it [19:48, 1.36s/it] 880it [19:50, 1.36s/it] 881it [19:51, 1.36s/it] 882it [19:52, 1.36s/it] 883it [19:54, 1.36s/it] 884it [19:55, 1.35s/it] 885it [19:56, 1.35s/it] 886it [19:58, 1.35s/it] 887it [19:59, 1.35s/it] 888it [20:01, 1.36s/it] 889it [20:02, 1.36s/it] 890it [20:03, 1.36s/it] 891it [20:05, 1.35s/it] 892it [20:06, 1.35s/it] 893it [20:07, 1.35s/it] 894it [20:09, 1.35s/it] 895it [20:10, 1.35s/it] 896it [20:11, 1.36s/it] 897it [20:13, 1.36s/it] 898it [20:14, 1.36s/it] 899it [20:15, 1.36s/it] 900it [20:17, 1.36s/it] 901it [20:18, 1.36s/it] 902it [20:20, 1.36s/it] 903it [20:21, 1.36s/it] 904it [20:22, 1.36s/it] 905it [20:24, 1.36s/it] 906it [20:25, 1.36s/it] 907it [20:26, 1.36s/it] 908it [20:28, 1.36s/it] 909it [20:29, 1.36s/it] 910it [20:30, 1.36s/it] 911it [20:32, 1.36s/it] 912it [20:33, 1.36s/it] 913it [20:35, 1.36s/it] 914it [20:36, 1.36s/it] 915it [20:37, 1.36s/it] 916it [20:39, 1.36s/it] 917it [20:40, 1.36s/it] 918it [20:41, 1.36s/it] 919it [20:43, 1.36s/it] 920it [20:44, 1.36s/it] 921it [20:45, 1.36s/it] 922it [20:47, 1.36s/it] 923it [20:48, 1.36s/it] 924it [20:49, 1.36s/it] 925it [20:51, 1.36s/it] 926it [20:52, 1.36s/it] 927it [20:54, 1.36s/it] 928it [20:55, 1.36s/it] 929it [20:56, 1.35s/it] 930it [20:58, 1.36s/it] 931it [20:59, 1.36s/it] 932it [21:00, 1.36s/it] 933it [21:02, 1.36s/it] 934it [21:03, 1.36s/it] 935it [21:04, 1.36s/it] 936it [21:06, 1.36s/it] 937it [21:07, 1.36s/it] 938it [21:08, 1.36s/it] 939it [21:10, 1.35s/it] 940it [21:11, 1.35s/it] 941it [21:13, 1.35s/it] 942it [21:14, 1.35s/it] 943it [21:15, 1.35s/it] 944it [21:17, 1.35s/it] 945it [21:18, 1.35s/it] 946it [21:19, 1.35s/it] 947it [21:21, 1.35s/it] 948it [21:22, 1.36s/it] 949it [21:23, 1.36s/it] 950it [21:25, 1.40s/it] 951it [21:26, 1.39s/it] 952it [21:28, 1.38s/it] 953it [21:29, 1.37s/it] 954it [21:30, 1.36s/it] 955it [21:32, 1.37s/it] 956it [21:33, 1.36s/it] 957it [21:34, 1.36s/it] 958it [21:36, 1.36s/it] 959it [21:37, 1.36s/it] 960it [21:38, 1.36s/it] 961it [21:40, 1.36s/it] 962it [21:41, 1.36s/it] 963it [21:43, 1.36s/it] 964it [21:44, 1.36s/it] 965it [21:45, 1.36s/it] 966it [21:47, 1.36s/it] 967it [21:48, 1.36s/it] 968it [21:49, 1.36s/it] 969it [21:51, 1.36s/it] 970it [21:52, 1.37s/it] 971it [21:53, 1.37s/it] 972it [21:55, 1.36s/it] 973it [21:56, 1.36s/it] 974it [21:57, 1.36s/it] 975it [21:59, 1.36s/it] 976it [22:00, 1.36s/it] 977it [22:02, 1.36s/it] 978it [22:03, 1.36s/it] 979it [22:04, 1.36s/it] 980it [22:06, 1.36s/it] 981it [22:07, 1.36s/it] 982it [22:08, 1.36s/it] 983it [22:10, 1.35s/it] 984it [22:11, 1.36s/it] 985it [22:12, 1.35s/it] 986it [22:14, 1.35s/it] 987it [22:15, 1.35s/it] 988it [22:16, 1.35s/it] 989it [22:18, 1.35s/it] 990it [22:19, 1.35s/it] 991it [22:21, 1.35s/it] 992it [22:22, 1.35s/it] 993it [22:23, 1.35s/it] 994it [22:25, 1.35s/it] 995it [22:26, 1.34s/it] 996it [22:27, 1.34s/it] 997it [22:29, 1.34s/it] 998it [22:30, 1.33s/it] 999it [22:31, 1.32s/it] 1000it [22:33, 1.32s/it] 1000it [22:33, 1.35s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:27.379596 +⏰ Completed process in 0:22:33.567316 diff --git a/chunked/d4-dock_028.csv.gz b/chunked/d4-dock_028.csv.gz index b2a922b20bda13489ca9be0cc23698c5fa96b0b0..b66890675b07487d53024d9f2d90f9e673c75b4e 100644 --- a/chunked/d4-dock_028.csv.gz +++ b/chunked/d4-dock_028.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:92fca66bbdbfe24867cd31fe69feb02087b38f95f7c1d74b0a7c00d2403e40e8 -size 36463167 +oid sha256:b917a535e0b4cf12b78ffee34fe591f7cc394b39d882b3129ec8fea349ca3b39 +size 36463176 diff --git a/chunked/d4-dock_028.log b/chunked/d4-dock_028.log index 32099870af2191e3f7886a2a919272a3df6cc88e..5ae4f5a85f461bae73dd93c4b5b36a09b2353588 100644 --- a/chunked/d4-dock_028.log +++ b/chunked/d4-dock_028.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.36s/it] 2it [00:02, 1.35s/it] 3it [00:04, 1.35s/it] 4it [00:05, 1.36s/it] 5it [00:06, 1.35s/it] 6it [00:08, 1.35s/it] 7it [00:09, 1.35s/it] 8it [00:10, 1.36s/it] 9it [00:12, 1.36s/it] 10it [00:13, 1.36s/it] 11it [00:14, 1.36s/it] 12it [00:16, 1.36s/it] 13it [00:17, 1.36s/it] 14it [00:18, 1.36s/it] 15it [00:20, 1.36s/it] 16it [00:21, 1.36s/it] 17it [00:23, 1.36s/it] 18it [00:24, 1.36s/it] 19it [00:25, 1.37s/it] 20it [00:27, 1.37s/it] 21it [00:28, 1.36s/it] 22it [00:29, 1.37s/it] 23it [00:31, 1.37s/it] 24it [00:32, 1.37s/it] 25it [00:34, 1.37s/it] 26it [00:35, 1.37s/it] 27it [00:36, 1.37s/it] 28it [00:38, 1.37s/it] 29it [00:39, 1.37s/it] 30it [00:40, 1.37s/it] 31it [00:42, 1.37s/it] 32it [00:43, 1.37s/it] 33it [00:44, 1.37s/it] 34it [00:46, 1.36s/it] 35it [00:47, 1.36s/it] 36it [00:49, 1.36s/it] 37it [00:50, 1.35s/it] 38it [00:51, 1.35s/it] 39it [00:53, 1.35s/it] 40it [00:54, 1.35s/it] 41it [00:55, 1.35s/it] 42it [00:57, 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1.34s/it] 874it [19:55, 1.34s/it] 875it [19:56, 1.35s/it] 876it [19:58, 1.35s/it] 877it [19:59, 1.35s/it] 878it [20:00, 1.35s/it] 879it [20:02, 1.35s/it] 880it [20:03, 1.35s/it] 881it [20:04, 1.35s/it] 882it [20:06, 1.35s/it] 883it [20:07, 1.35s/it] 884it [20:08, 1.35s/it] 885it [20:10, 1.35s/it] 886it [20:11, 1.35s/it] 887it [20:12, 1.35s/it] 888it [20:14, 1.34s/it] 889it [20:15, 1.35s/it] 890it [20:16, 1.34s/it] 891it [20:18, 1.34s/it] 892it [20:19, 1.34s/it] 893it [20:20, 1.34s/it] 894it [20:22, 1.34s/it] 895it [20:23, 1.34s/it] 896it [20:25, 1.34s/it] 897it [20:26, 1.34s/it] 898it [20:27, 1.34s/it] 899it [20:29, 1.34s/it] 900it [20:30, 1.34s/it] 901it [20:31, 1.34s/it] 902it [20:33, 1.35s/it] 903it [20:34, 1.35s/it] 904it [20:35, 1.35s/it] 905it [20:37, 1.36s/it] 906it [20:38, 1.35s/it] 907it [20:39, 1.36s/it] 908it [20:41, 1.36s/it] 909it [20:42, 1.36s/it] 910it [20:43, 1.36s/it] 911it [20:45, 1.36s/it] 912it [20:46, 1.35s/it] 913it [20:48, 1.36s/it] 914it [20:49, 1.36s/it] 915it [20:50, 1.36s/it] 916it [20:52, 1.36s/it] 917it [20:53, 1.36s/it] 918it [20:54, 1.35s/it] 919it [20:56, 1.35s/it] 920it [20:57, 1.35s/it] 921it [20:58, 1.35s/it] 922it [21:00, 1.36s/it] 923it [21:01, 1.36s/it] 924it [21:02, 1.35s/it] 925it [21:04, 1.36s/it] 926it [21:05, 1.36s/it] 927it [21:06, 1.36s/it] 928it [21:08, 1.36s/it] 929it [21:09, 1.36s/it] 930it [21:11, 1.36s/it] 931it [21:12, 1.36s/it] 932it [21:13, 1.36s/it] 933it [21:15, 1.36s/it] 934it [21:16, 1.36s/it] 935it [21:17, 1.36s/it] 936it [21:19, 1.35s/it] 937it [21:20, 1.35s/it] 938it [21:21, 1.35s/it] 939it [21:23, 1.35s/it] 940it [21:24, 1.36s/it] 941it [21:25, 1.35s/it] 942it [21:27, 1.35s/it] 943it [21:28, 1.35s/it] 944it [21:29, 1.35s/it] 945it [21:31, 1.35s/it] 946it [21:32, 1.36s/it] 947it [21:34, 1.36s/it] 948it [21:35, 1.36s/it] 949it [21:36, 1.36s/it] 950it [21:38, 1.36s/it] 951it [21:39, 1.37s/it] 952it [21:40, 1.37s/it] 953it [21:42, 1.36s/it] 954it [21:43, 1.36s/it] 955it [21:44, 1.37s/it] 956it [21:46, 1.36s/it] 957it [21:47, 1.36s/it] 958it [21:49, 1.36s/it] 959it [21:50, 1.36s/it] 960it [21:51, 1.36s/it] 961it [21:53, 1.36s/it] 962it [21:54, 1.36s/it] 963it [21:55, 1.36s/it] 964it [21:57, 1.36s/it] 965it [21:58, 1.36s/it] 966it [21:59, 1.36s/it] 967it [22:01, 1.36s/it] 968it [22:02, 1.36s/it] 969it [22:04, 1.36s/it] 970it [22:05, 1.36s/it] 971it [22:06, 1.36s/it] 972it [22:08, 1.37s/it] 973it [22:09, 1.37s/it] 974it [22:10, 1.36s/it] 975it [22:12, 1.37s/it] 976it [22:13, 1.37s/it] 977it [22:14, 1.37s/it] 978it [22:16, 1.37s/it] 979it [22:17, 1.36s/it] 980it [22:19, 1.37s/it] 981it [22:20, 1.36s/it] 982it [22:21, 1.36s/it] 983it [22:23, 1.36s/it] 984it [22:24, 1.35s/it] 985it [22:25, 1.35s/it] 986it [22:27, 1.35s/it] 987it [22:28, 1.35s/it] 988it [22:29, 1.35s/it] 989it [22:31, 1.35s/it] 990it [22:32, 1.35s/it] 991it [22:33, 1.36s/it] 992it [22:35, 1.36s/it] 993it [22:36, 1.36s/it] 994it [22:38, 1.36s/it] 995it [22:39, 1.36s/it] 996it [22:40, 1.36s/it] 997it [22:42, 1.36s/it] 998it [22:43, 1.36s/it] 999it [22:44, 1.36s/it] 1000it [22:46, 1.36s/it] 1000it [22:46, 1.37s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:11.565892 +⏰ Completed process in 0:22:46.742386 diff --git a/chunked/d4-dock_029.csv.gz b/chunked/d4-dock_029.csv.gz index a0da06f584024384e91ec3e4c408e3e72df25c23..cdd13313479186eb4d7abfb0e672145f1eb06fef 100644 --- a/chunked/d4-dock_029.csv.gz +++ b/chunked/d4-dock_029.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:65000ffebe180455c9559560f04b781e95db8f9ef41786d11796b024b78184aa -size 36431426 +oid sha256:701bd31179be779e165b6463953bb084c0b7eeb8ac88d7622ed6a17285197f78 +size 36431410 diff --git a/chunked/d4-dock_029.log b/chunked/d4-dock_029.log index cc06a88e2b07e6b05e0531e92f587aa3f2d7b41b..1d50868614e32195934e9df13e2eab5ced2e3651 100644 --- a/chunked/d4-dock_029.log +++ b/chunked/d4-dock_029.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.38s/it] 2it [00:02, 1.38s/it] 3it [00:04, 1.37s/it] 4it [00:05, 1.37s/it] 5it [00:06, 1.37s/it] 6it [00:08, 1.37s/it] 7it [00:09, 1.36s/it] 8it [00:10, 1.36s/it] 9it [00:12, 1.36s/it] 10it [00:13, 1.37s/it] 11it [00:15, 1.37s/it] 12it [00:16, 1.37s/it] 13it [00:17, 1.37s/it] 14it [00:19, 1.37s/it] 15it [00:20, 1.36s/it] 16it [00:21, 1.37s/it] 17it [00:23, 1.37s/it] 18it [00:24, 1.37s/it] 19it [00:25, 1.37s/it] 20it [00:27, 1.37s/it] 21it [00:28, 1.37s/it] 22it [00:30, 1.37s/it] 23it [00:31, 1.37s/it] 24it [00:32, 1.37s/it] 25it [00:34, 1.37s/it] 26it [00:35, 1.37s/it] 27it [00:36, 1.37s/it] 28it [00:38, 1.37s/it] 29it [00:39, 1.37s/it] 30it [00:41, 1.37s/it] 31it [00:42, 1.37s/it] 32it [00:43, 1.37s/it] 33it [00:45, 1.37s/it] 34it [00:46, 1.36s/it] 35it [00:47, 1.36s/it] 36it [00:49, 1.36s/it] 37it [00:50, 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1.33s/it] 703it [15:46, 1.34s/it] 704it [15:47, 1.34s/it] 705it [15:49, 1.33s/it] 706it [15:50, 1.33s/it] 707it [15:51, 1.33s/it] 708it [15:53, 1.34s/it] 709it [15:54, 1.33s/it] 710it [15:55, 1.33s/it] 711it [15:57, 1.33s/it] 712it [15:58, 1.33s/it] 713it [15:59, 1.33s/it] 714it [16:01, 1.33s/it] 715it [16:02, 1.33s/it] 716it [16:03, 1.33s/it] 717it [16:05, 1.34s/it] 718it [16:06, 1.34s/it] 719it [16:07, 1.34s/it] 720it [16:09, 1.34s/it] 721it [16:10, 1.34s/it] 722it [16:11, 1.34s/it] 723it [16:13, 1.34s/it] 724it [16:14, 1.33s/it] 725it [16:15, 1.33s/it] 726it [16:17, 1.33s/it] 727it [16:18, 1.34s/it] 728it [16:19, 1.33s/it] 729it [16:21, 1.34s/it] 730it [16:22, 1.34s/it] 731it [16:23, 1.34s/it] 732it [16:25, 1.34s/it] 733it [16:26, 1.34s/it] 734it [16:27, 1.33s/it] 735it [16:29, 1.33s/it] 736it [16:30, 1.32s/it] 737it [16:31, 1.32s/it] 738it [16:33, 1.32s/it] 739it [16:34, 1.32s/it] 740it [16:35, 1.32s/it] 741it [16:37, 1.32s/it] 742it [16:38, 1.32s/it] 743it [16:39, 1.32s/it] 744it 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1.34s/it] 786it [17:36, 1.34s/it] 787it [17:38, 1.34s/it] 788it [17:39, 1.34s/it] 789it [17:40, 1.34s/it] 790it [17:42, 1.33s/it] 791it [17:43, 1.33s/it] 792it [17:44, 1.33s/it] 793it [17:46, 1.33s/it] 794it [17:47, 1.33s/it] 795it [17:48, 1.33s/it] 796it [17:50, 1.34s/it] 797it [17:51, 1.34s/it] 798it [17:52, 1.34s/it] 799it [17:54, 1.34s/it] 800it [17:55, 1.34s/it] 801it [17:56, 1.34s/it] 802it [17:58, 1.33s/it] 803it [17:59, 1.34s/it] 804it [18:00, 1.34s/it] 805it [18:02, 1.34s/it] 806it [18:03, 1.35s/it] 807it [18:04, 1.34s/it] 808it [18:06, 1.35s/it] 809it [18:07, 1.35s/it] 810it [18:08, 1.34s/it] 811it [18:10, 1.34s/it] 812it [18:11, 1.34s/it] 813it [18:12, 1.33s/it] 814it [18:14, 1.33s/it] 815it [18:15, 1.32s/it] 816it [18:16, 1.32s/it] 817it [18:18, 1.32s/it] 818it [18:19, 1.32s/it] 819it [18:20, 1.32s/it] 820it [18:22, 1.32s/it] 821it [18:23, 1.32s/it] 822it [18:24, 1.32s/it] 823it [18:26, 1.32s/it] 824it [18:27, 1.32s/it] 825it [18:28, 1.32s/it] 826it [18:30, 1.32s/it] 827it [18:31, 1.33s/it] 828it [18:32, 1.33s/it] 829it [18:34, 1.33s/it] 830it [18:35, 1.33s/it] 831it [18:36, 1.32s/it] 832it [18:38, 1.32s/it] 833it [18:39, 1.33s/it] 834it [18:40, 1.33s/it] 835it [18:41, 1.33s/it] 836it [18:43, 1.33s/it] 837it [18:44, 1.33s/it] 838it [18:45, 1.33s/it] 839it [18:47, 1.33s/it] 840it [18:48, 1.33s/it] 841it [18:49, 1.33s/it] 842it [18:51, 1.33s/it] 843it [18:52, 1.33s/it] 844it [18:53, 1.33s/it] 845it [18:55, 1.33s/it] 846it [18:56, 1.33s/it] 847it [18:57, 1.33s/it] 848it [18:59, 1.33s/it] 849it [19:00, 1.33s/it] 850it [19:01, 1.34s/it] 851it [19:03, 1.34s/it] 852it [19:04, 1.34s/it] 853it [19:06, 1.33s/it] 854it [19:07, 1.33s/it] 855it [19:08, 1.33s/it] 856it [19:09, 1.33s/it] 857it [19:11, 1.33s/it] 858it [19:12, 1.33s/it] 859it [19:13, 1.33s/it] 860it [19:15, 1.33s/it] 861it [19:16, 1.34s/it] 862it [19:18, 1.34s/it] 863it [19:19, 1.34s/it] 864it [19:20, 1.34s/it] 865it [19:22, 1.34s/it] 866it [19:23, 1.33s/it] 867it [19:24, 1.33s/it] 868it [19:26, 1.33s/it] 869it [19:27, 1.35s/it] 870it [19:28, 1.35s/it] 871it [19:30, 1.36s/it] 872it [19:31, 1.36s/it] 873it [19:32, 1.37s/it] 874it [19:34, 1.36s/it] 875it [19:35, 1.36s/it] 876it [19:36, 1.35s/it] 877it [19:38, 1.35s/it] 878it [19:39, 1.35s/it] 879it [19:40, 1.35s/it] 880it [19:42, 1.35s/it] 881it [19:43, 1.36s/it] 882it [19:45, 1.35s/it] 883it [19:46, 1.36s/it] 884it [19:47, 1.35s/it] 885it [19:49, 1.35s/it] 886it [19:50, 1.35s/it] 887it [19:51, 1.35s/it] 888it [19:53, 1.35s/it] 889it [19:54, 1.35s/it] 890it [19:55, 1.36s/it] 891it [19:57, 1.36s/it] 892it [19:58, 1.36s/it] 893it [19:59, 1.36s/it] 894it [20:01, 1.36s/it] 895it [20:02, 1.36s/it] 896it [20:04, 1.36s/it] 897it [20:05, 1.36s/it] 898it [20:06, 1.35s/it] 899it [20:08, 1.36s/it] 900it [20:09, 1.36s/it] 901it [20:10, 1.36s/it] 902it [20:12, 1.36s/it] 903it [20:13, 1.36s/it] 904it [20:14, 1.36s/it] 905it [20:16, 1.35s/it] 906it [20:17, 1.36s/it] 907it [20:18, 1.35s/it] 908it [20:20, 1.35s/it] 909it [20:21, 1.36s/it] 910it [20:23, 1.36s/it] 911it [20:24, 1.36s/it] 912it [20:25, 1.36s/it] 913it [20:27, 1.36s/it] 914it [20:28, 1.36s/it] 915it [20:29, 1.35s/it] 916it [20:31, 1.35s/it] 917it [20:32, 1.36s/it] 918it [20:33, 1.35s/it] 919it [20:35, 1.36s/it] 920it [20:36, 1.36s/it] 921it [20:37, 1.36s/it] 922it [20:39, 1.37s/it] 923it [20:40, 1.36s/it] 924it [20:42, 1.36s/it] 925it [20:43, 1.36s/it] 926it [20:44, 1.36s/it] 927it [20:46, 1.36s/it] 928it [20:47, 1.36s/it] 929it [20:48, 1.36s/it] 930it [20:50, 1.37s/it] 931it [20:51, 1.37s/it] 932it [20:52, 1.37s/it] 933it [20:54, 1.37s/it] 934it [20:55, 1.36s/it] 935it [20:57, 1.36s/it] 936it [20:58, 1.36s/it] 937it [20:59, 1.36s/it] 938it [21:01, 1.37s/it] 939it [21:02, 1.36s/it] 940it [21:03, 1.36s/it] 941it [21:05, 1.36s/it] 942it [21:06, 1.36s/it] 943it [21:07, 1.36s/it] 944it [21:09, 1.36s/it] 945it [21:10, 1.36s/it] 946it [21:12, 1.36s/it] 947it [21:13, 1.36s/it] 948it [21:14, 1.36s/it] 949it [21:16, 1.36s/it] 950it [21:17, 1.36s/it] 951it [21:18, 1.36s/it] 952it [21:20, 1.37s/it] 953it [21:21, 1.37s/it] 954it [21:22, 1.36s/it] 955it [21:24, 1.36s/it] 956it [21:25, 1.37s/it] 957it [21:26, 1.36s/it] 958it [21:28, 1.35s/it] 959it [21:29, 1.35s/it] 960it [21:31, 1.34s/it] 961it [21:32, 1.34s/it] 962it [21:33, 1.34s/it] 963it [21:35, 1.34s/it] 964it [21:36, 1.34s/it] 965it [21:37, 1.34s/it] 966it [21:39, 1.33s/it] 967it [21:40, 1.33s/it] 968it [21:41, 1.33s/it] 969it [21:42, 1.33s/it] 970it [21:44, 1.34s/it] 971it [21:45, 1.35s/it] 972it [21:47, 1.35s/it] 973it [21:48, 1.36s/it] 974it [21:49, 1.36s/it] 975it [21:51, 1.36s/it] 976it [21:52, 1.36s/it] 977it [21:53, 1.36s/it] 978it [21:55, 1.36s/it] 979it [21:56, 1.36s/it] 980it [21:57, 1.37s/it] 981it [21:59, 1.35s/it] 982it [22:00, 1.34s/it] 983it [22:01, 1.33s/it] 984it [22:03, 1.32s/it] 985it [22:04, 1.32s/it] 986it [22:05, 1.31s/it] 987it [22:07, 1.31s/it] 988it [22:08, 1.31s/it] 989it [22:09, 1.31s/it] 990it [22:11, 1.31s/it] 991it [22:12, 1.32s/it] 992it [22:13, 1.32s/it] 993it [22:15, 1.33s/it] 994it [22:16, 1.33s/it] 995it [22:17, 1.34s/it] 996it [22:19, 1.33s/it] 997it [22:20, 1.34s/it] 998it [22:21, 1.34s/it] 999it [22:23, 1.34s/it] 1000it [22:24, 1.34s/it] 1000it [22:24, 1.34s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:52.728845 +⏰ Completed process in 0:22:25.034258 diff --git a/chunked/d4-dock_030.csv.gz b/chunked/d4-dock_030.csv.gz index cef82dfcb8a885c7a363f80e45a959ebab085a28..8be363a1369b833dae78c82ad4fa9f475277aa62 100644 --- a/chunked/d4-dock_030.csv.gz +++ b/chunked/d4-dock_030.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:e48ee3c0cd44be9c6e7827a4739d2a6adf2ada3fc78b455e93eb95b6d047abcd -size 36251258 +oid sha256:ef201825b045c5bd370412cccde4abffb3411c3211b6b01a56bde5d4787c3f4d +size 36251273 diff --git a/chunked/d4-dock_030.log b/chunked/d4-dock_030.log index 00f3f676e3a7bd6bf084bec5623c0541142db538..5f3e3728d19e118190277cca8b1edd8a61938e38 100644 --- a/chunked/d4-dock_030.log +++ b/chunked/d4-dock_030.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.40s/it] 2it [00:02, 1.40s/it] 3it [00:04, 1.40s/it] 4it [00:05, 1.40s/it] 5it [00:07, 1.40s/it] 6it [00:08, 1.40s/it] 7it [00:09, 1.40s/it] 8it [00:11, 1.41s/it] 9it [00:12, 1.41s/it] 10it [00:14, 1.41s/it] 11it [00:15, 1.41s/it] 12it [00:16, 1.40s/it] 13it [00:18, 1.40s/it] 14it [00:19, 1.40s/it] 15it [00:21, 1.40s/it] 16it [00:22, 1.40s/it] 17it [00:23, 1.40s/it] 18it [00:25, 1.40s/it] 19it [00:26, 1.40s/it] 20it [00:28, 1.41s/it] 21it [00:29, 1.41s/it] 22it [00:30, 1.41s/it] 23it [00:32, 1.41s/it] 24it [00:33, 1.41s/it] 25it [00:35, 1.41s/it] 26it [00:36, 1.41s/it] 27it [00:37, 1.41s/it] 28it [00:39, 1.41s/it] 29it [00:40, 1.40s/it] 30it [00:42, 1.40s/it] 31it [00:43, 1.40s/it] 32it [00:44, 1.40s/it] 33it [00:46, 1.40s/it] 34it [00:47, 1.40s/it] 35it [00:49, 1.40s/it] 36it [00:50, 1.41s/it] 37it [00:51, 1.41s/it] 38it [00:53, 1.41s/it] 39it [00:54, 1.40s/it] 40it [00:56, 1.40s/it] 41it [00:57, 1.40s/it] 42it [00:59, 1.40s/it] 43it [01:00, 1.40s/it] 44it [01:01, 1.40s/it] 45it [01:03, 1.40s/it] 46it [01:04, 1.40s/it] 47it [01:05, 1.40s/it] 48it [01:07, 1.40s/it] 49it [01:08, 1.40s/it] 50it [01:10, 1.40s/it] 51it [01:11, 1.40s/it] 52it [01:12, 1.40s/it] 53it [01:14, 1.40s/it] 54it [01:15, 1.40s/it] 55it [01:17, 1.40s/it] 56it [01:18, 1.40s/it] 57it [01:20, 1.40s/it] 58it [01:21, 1.40s/it] 59it [01:22, 1.40s/it] 60it [01:24, 1.40s/it] 61it [01:25, 1.40s/it] 62it [01:27, 1.40s/it] 63it [01:28, 1.41s/it] 64it [01:29, 1.41s/it] 65it [01:31, 1.41s/it] 66it [01:32, 1.41s/it] 67it [01:34, 1.40s/it] 68it [01:35, 1.40s/it] 69it [01:36, 1.40s/it] 70it [01:38, 1.40s/it] 71it [01:39, 1.40s/it] 72it [01:41, 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[21:44, 1.38s/it] 944it [21:45, 1.38s/it] 945it [21:46, 1.37s/it] 946it [21:48, 1.37s/it] 947it [21:49, 1.38s/it] 948it [21:50, 1.39s/it] 949it [21:52, 1.38s/it] 950it [21:53, 1.38s/it] 951it [21:55, 1.38s/it] 952it [21:56, 1.38s/it] 953it [21:57, 1.38s/it] 954it [21:59, 1.38s/it] 955it [22:00, 1.37s/it] 956it [22:01, 1.37s/it] 957it [22:03, 1.37s/it] 958it [22:04, 1.37s/it] 959it [22:06, 1.37s/it] 960it [22:07, 1.37s/it] 961it [22:08, 1.37s/it] 962it [22:10, 1.37s/it] 963it [22:11, 1.37s/it] 964it [22:12, 1.37s/it] 965it [22:14, 1.37s/it] 966it [22:15, 1.37s/it] 967it [22:17, 1.37s/it] 968it [22:18, 1.37s/it] 969it [22:19, 1.36s/it] 970it [22:21, 1.37s/it] 971it [22:22, 1.37s/it] 972it [22:23, 1.37s/it] 973it [22:25, 1.37s/it] 974it [22:26, 1.37s/it] 975it [22:27, 1.37s/it] 976it [22:29, 1.36s/it] 977it [22:30, 1.36s/it] 978it [22:32, 1.36s/it] 979it [22:33, 1.36s/it] 980it [22:34, 1.36s/it] 981it [22:36, 1.36s/it] 982it [22:37, 1.36s/it] 983it [22:38, 1.36s/it] 984it [22:40, 1.36s/it] 985it [22:41, 1.37s/it] 986it [22:42, 1.37s/it] 987it [22:44, 1.37s/it] 988it [22:45, 1.38s/it] 989it [22:47, 1.38s/it] 990it [22:48, 1.37s/it] 991it [22:49, 1.37s/it] 992it [22:51, 1.37s/it] 993it [22:52, 1.37s/it] 994it [22:53, 1.37s/it] 995it [22:55, 1.37s/it] 996it [22:56, 1.38s/it] 997it [22:58, 1.37s/it] 998it [22:59, 1.37s/it] 999it [23:00, 1.37s/it] 1000it [23:02, 1.36s/it] 1000it [23:02, 1.38s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:23:08.362089 +⏰ Completed process in 0:23:02.708078 diff --git a/chunked/d4-dock_031.csv.gz b/chunked/d4-dock_031.csv.gz index d3f0189d1d8591a53efd6d24b3a0000c82237201..43b99cddda2eac8b746118c264c1d295b64c7175 100644 --- a/chunked/d4-dock_031.csv.gz +++ b/chunked/d4-dock_031.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:20d3dc252f5c015cde29272343064e117970d344a739872a32bb8a2a6cc5caa0 -size 36399100 +oid sha256:ef4c12de5af27bfb85ebc9be0376ec75b59b60757a2ac784a68c5ecbde9d9075 +size 36399106 diff --git a/chunked/d4-dock_031.log b/chunked/d4-dock_031.log index 19a79d05e6f5d8aafccc821de7ece8ac86289e30..a833c7a8fc42976239eec45d31a22c451dfba637 100644 --- a/chunked/d4-dock_031.log +++ b/chunked/d4-dock_031.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.38s/it] 2it [00:02, 1.37s/it] 3it [00:04, 1.37s/it] 4it [00:05, 1.37s/it] 5it [00:06, 1.37s/it] 6it [00:08, 1.37s/it] 7it [00:09, 1.37s/it] 8it [00:10, 1.36s/it] 9it [00:12, 1.36s/it] 10it [00:13, 1.36s/it] 11it [00:15, 1.36s/it] 12it [00:16, 1.36s/it] 13it [00:17, 1.36s/it] 14it [00:19, 1.36s/it] 15it [00:20, 1.36s/it] 16it [00:21, 1.36s/it] 17it [00:23, 1.36s/it] 18it [00:24, 1.36s/it] 19it [00:25, 1.36s/it] 20it [00:27, 1.36s/it] 21it [00:28, 1.36s/it] 22it [00:29, 1.35s/it] 23it [00:31, 1.35s/it] 24it [00:32, 1.35s/it] 25it [00:33, 1.35s/it] 26it [00:35, 1.35s/it] 27it [00:36, 1.35s/it] 28it [00:38, 1.35s/it] 29it [00:39, 1.35s/it] 30it [00:40, 1.34s/it] 31it [00:42, 1.35s/it] 32it [00:43, 1.35s/it] 33it [00:44, 1.35s/it] 34it [00:46, 1.35s/it] 35it [00:47, 1.35s/it] 36it [00:48, 1.35s/it] 37it [00:50, 1.34s/it] 38it [00:51, 1.34s/it] 39it [00:52, 1.34s/it] 40it [00:54, 1.34s/it] 41it [00:55, 1.34s/it] 42it [00:56, 1.34s/it] 43it [00:58, 1.34s/it] 44it [00:59, 1.34s/it] 45it [01:00, 1.34s/it] 46it [01:02, 1.34s/it] 47it [01:03, 1.35s/it] 48it [01:04, 1.34s/it] 49it [01:06, 1.35s/it] 50it [01:07, 1.35s/it] 51it [01:08, 1.35s/it] 52it [01:10, 1.35s/it] 53it [01:11, 1.35s/it] 54it [01:13, 1.35s/it] 55it [01:14, 1.35s/it] 56it [01:15, 1.35s/it] 57it [01:17, 1.35s/it] 58it [01:18, 1.35s/it] 59it [01:19, 1.35s/it] 60it [01:21, 1.34s/it] 61it [01:22, 1.35s/it] 62it [01:23, 1.35s/it] 63it [01:25, 1.35s/it] 64it [01:26, 1.35s/it] 65it [01:27, 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1.40s/it] 813it [18:42, 1.40s/it] 814it [18:43, 1.40s/it] 815it [18:45, 1.40s/it] 816it [18:46, 1.40s/it] 817it [18:48, 1.40s/it] 818it [18:49, 1.40s/it] 819it [18:50, 1.40s/it] 820it [18:52, 1.40s/it] 821it [18:53, 1.40s/it] 822it [18:55, 1.40s/it] 823it [18:56, 1.40s/it] 824it [18:57, 1.40s/it] 825it [18:59, 1.40s/it] 826it [19:00, 1.40s/it] 827it [19:02, 1.41s/it] 828it [19:03, 1.41s/it] 829it [19:04, 1.40s/it] 830it [19:06, 1.40s/it] 831it [19:07, 1.41s/it] 832it [19:09, 1.41s/it] 833it [19:10, 1.41s/it] 834it [19:12, 1.42s/it] 835it [19:13, 1.42s/it] 836it [19:14, 1.42s/it] 837it [19:16, 1.42s/it] 838it [19:17, 1.42s/it] 839it [19:19, 1.42s/it] 840it [19:20, 1.43s/it] 841it [19:21, 1.43s/it] 842it [19:23, 1.43s/it] 843it [19:24, 1.43s/it] 844it [19:26, 1.43s/it] 845it [19:27, 1.43s/it] 846it [19:29, 1.43s/it] 847it [19:30, 1.42s/it] 848it [19:31, 1.42s/it] 849it [19:33, 1.42s/it] 850it [19:34, 1.42s/it] 851it [19:36, 1.43s/it] 852it [19:37, 1.43s/it] 853it [19:39, 1.42s/it] 854it 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1.43s/it] 896it [20:40, 1.42s/it] 897it [20:41, 1.42s/it] 898it [20:43, 1.42s/it] 899it [20:44, 1.42s/it] 900it [20:46, 1.42s/it] 901it [20:47, 1.42s/it] 902it [20:48, 1.42s/it] 903it [20:50, 1.43s/it] 904it [20:51, 1.42s/it] 905it [20:53, 1.42s/it] 906it [20:54, 1.42s/it] 907it [20:55, 1.42s/it] 908it [20:57, 1.42s/it] 909it [20:58, 1.42s/it] 910it [21:00, 1.42s/it] 911it [21:01, 1.42s/it] 912it [21:03, 1.41s/it] 913it [21:04, 1.42s/it] 914it [21:05, 1.42s/it] 915it [21:07, 1.42s/it] 916it [21:08, 1.42s/it] 917it [21:10, 1.42s/it] 918it [21:11, 1.42s/it] 919it [21:12, 1.42s/it] 920it [21:14, 1.42s/it] 921it [21:15, 1.42s/it] 922it [21:17, 1.42s/it] 923it [21:18, 1.43s/it] 924it [21:20, 1.43s/it] 925it [21:21, 1.43s/it] 926it [21:22, 1.42s/it] 927it [21:24, 1.42s/it] 928it [21:25, 1.42s/it] 929it [21:27, 1.42s/it] 930it [21:28, 1.42s/it] 931it [21:30, 1.42s/it] 932it [21:31, 1.42s/it] 933it [21:32, 1.42s/it] 934it [21:34, 1.42s/it] 935it [21:35, 1.42s/it] 936it [21:37, 1.42s/it] 937it [21:38, 1.42s/it] 938it [21:40, 1.42s/it] 939it [21:41, 1.43s/it] 940it [21:42, 1.42s/it] 941it [21:44, 1.42s/it] 942it [21:45, 1.42s/it] 943it [21:47, 1.42s/it] 944it [21:48, 1.42s/it] 945it [21:49, 1.42s/it] 946it [21:51, 1.42s/it] 947it [21:52, 1.42s/it] 948it [21:54, 1.42s/it] 949it [21:55, 1.42s/it] 950it [21:57, 1.42s/it] 951it [21:58, 1.42s/it] 952it [21:59, 1.42s/it] 953it [22:01, 1.43s/it] 954it [22:02, 1.43s/it] 955it [22:04, 1.42s/it] 956it [22:05, 1.42s/it] 957it [22:07, 1.42s/it] 958it [22:08, 1.42s/it] 959it [22:09, 1.42s/it] 960it [22:11, 1.42s/it] 961it [22:12, 1.42s/it] 962it [22:14, 1.41s/it] 963it [22:15, 1.41s/it] 964it [22:16, 1.41s/it] 965it [22:18, 1.41s/it] 966it [22:19, 1.41s/it] 967it [22:21, 1.41s/it] 968it [22:22, 1.41s/it] 969it [22:23, 1.41s/it] 970it [22:25, 1.40s/it] 971it [22:26, 1.41s/it] 972it [22:28, 1.40s/it] 973it [22:29, 1.40s/it] 974it [22:30, 1.40s/it] 975it [22:32, 1.39s/it] 976it [22:33, 1.39s/it] 977it [22:35, 1.39s/it] 978it [22:36, 1.39s/it] 979it [22:37, 1.39s/it] 980it [22:39, 1.39s/it] 981it [22:40, 1.39s/it] 982it [22:42, 1.39s/it] 983it [22:43, 1.39s/it] 984it [22:44, 1.39s/it] 985it [22:46, 1.39s/it] 986it [22:47, 1.39s/it] 987it [22:48, 1.38s/it] 988it [22:50, 1.39s/it] 989it [22:51, 1.38s/it] 990it [22:53, 1.38s/it] 991it [22:54, 1.38s/it] 992it [22:55, 1.37s/it] 993it [22:57, 1.37s/it] 994it [22:58, 1.37s/it] 995it [22:59, 1.37s/it] 996it [23:01, 1.37s/it] 997it [23:02, 1.37s/it] 998it [23:04, 1.37s/it] 999it [23:05, 1.37s/it] 1000it [23:06, 1.37s/it] 1000it [23:06, 1.39s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:50.059765 +⏰ Completed process in 0:23:07.301501 diff --git a/chunked/d4-dock_032.csv.gz b/chunked/d4-dock_032.csv.gz index be6afbe3e2c43e21534992dd16501c3b90f40248..1366699ccc31488ee2972dce77c7e2f1983a798e 100644 --- a/chunked/d4-dock_032.csv.gz +++ b/chunked/d4-dock_032.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:9b3919a581024ebc073040fc2b29cabc34b348bff3f24dc3425778b62f356bd1 -size 36679339 +oid sha256:38329360009d83d6a49a9dffcdaf14bcef0c81e954dad77a0a53415df1da1c02 +size 36679371 diff --git a/chunked/d4-dock_032.log b/chunked/d4-dock_032.log index 98ff5aed7def9e1dbf586a3084ae67de0ab76259..d0d4dfc00fc2933a5c7739473a42b97e47987c44 100644 --- a/chunked/d4-dock_032.log +++ b/chunked/d4-dock_032.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.38s/it] 2it [00:02, 1.37s/it] 3it [00:04, 1.37s/it] 4it [00:05, 1.37s/it] 5it [00:06, 1.37s/it] 6it [00:08, 1.37s/it] 7it [00:09, 1.37s/it] 8it [00:10, 1.37s/it] 9it [00:12, 1.36s/it] 10it [00:13, 1.36s/it] 11it [00:15, 1.36s/it] 12it [00:16, 1.37s/it] 13it [00:17, 1.37s/it] 14it [00:19, 1.37s/it] 15it [00:20, 1.37s/it] 16it [00:21, 1.37s/it] 17it [00:23, 1.37s/it] 18it [00:24, 1.37s/it] 19it [00:25, 1.36s/it] 20it [00:27, 1.36s/it] 21it [00:28, 1.36s/it] 22it [00:30, 1.36s/it] 23it [00:31, 1.36s/it] 24it [00:32, 1.36s/it] 25it [00:34, 1.36s/it] 26it [00:35, 1.36s/it] 27it [00:36, 1.36s/it] 28it [00:38, 1.36s/it] 29it [00:39, 1.37s/it] 30it [00:40, 1.36s/it] 31it [00:42, 1.36s/it] 32it [00:43, 1.36s/it] 33it [00:45, 1.36s/it] 34it [00:46, 1.36s/it] 35it [00:47, 1.36s/it] 36it [00:49, 1.36s/it] 37it [00:50, 1.36s/it] 38it [00:51, 1.36s/it] 39it [00:53, 1.35s/it] 40it [00:54, 1.35s/it] 41it [00:55, 1.35s/it] 42it [00:57, 1.36s/it] 43it [00:58, 1.36s/it] 44it [00:59, 1.36s/it] 45it [01:01, 1.36s/it] 46it [01:02, 1.36s/it] 47it [01:04, 1.36s/it] 48it [01:05, 1.36s/it] 49it [01:06, 1.36s/it] 50it [01:08, 1.36s/it] 51it [01:09, 1.36s/it] 52it [01:10, 1.36s/it] 53it [01:12, 1.36s/it] 54it [01:13, 1.36s/it] 55it [01:14, 1.35s/it] 56it [01:16, 1.36s/it] 57it [01:17, 1.35s/it] 58it [01:18, 1.35s/it] 59it [01:20, 1.35s/it] 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1.36s/it] 973it [22:01, 1.36s/it] 974it [22:02, 1.36s/it] 975it [22:04, 1.36s/it] 976it [22:05, 1.36s/it] 977it [22:06, 1.36s/it] 978it [22:08, 1.36s/it] 979it [22:09, 1.36s/it] 980it [22:10, 1.36s/it] 981it [22:12, 1.36s/it] 982it [22:13, 1.36s/it] 983it [22:14, 1.36s/it] 984it [22:16, 1.35s/it] 985it [22:17, 1.35s/it] 986it [22:18, 1.35s/it] 987it [22:20, 1.35s/it] 988it [22:21, 1.34s/it] 989it [22:22, 1.34s/it] 990it [22:24, 1.34s/it] 991it [22:25, 1.34s/it] 992it [22:26, 1.34s/it] 993it [22:28, 1.34s/it] 994it [22:29, 1.33s/it] 995it [22:30, 1.33s/it] 996it [22:32, 1.33s/it] 997it [22:33, 1.33s/it] 998it [22:34, 1.33s/it] 999it [22:36, 1.33s/it] 1000it [22:37, 1.33s/it] 1000it [22:37, 1.36s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:56.503394 +⏰ Completed process in 0:22:38.162509 diff --git a/chunked/d4-dock_033.csv.gz b/chunked/d4-dock_033.csv.gz index 1289af52f87aea97ea2c77ee4c48c2b12a58f069..70b0bef68f1db17c4168c43596ced941bfbc030c 100644 --- a/chunked/d4-dock_033.csv.gz +++ b/chunked/d4-dock_033.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:3e32650f7bb5693e558a3ddbb96e083a713c93de9df36a38ec6b0e2d1f5adcc9 -size 37038178 +oid sha256:f3cd49efb0c027c7c38933682fadb0e8440e5864261ad57a357c0186bfaca675 +size 37038194 diff --git a/chunked/d4-dock_033.log b/chunked/d4-dock_033.log index 0828c9dd644e7d9462beef79b8233380c2e464fa..5078930bbe60414587b48c27a68fa9d14f390ce0 100644 --- a/chunked/d4-dock_033.log +++ b/chunked/d4-dock_033.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.37s/it] 2it [00:02, 1.37s/it] 3it [00:04, 1.37s/it] 4it [00:05, 1.37s/it] 5it [00:06, 1.36s/it] 6it [00:08, 1.36s/it] 7it [00:09, 1.36s/it] 8it [00:10, 1.36s/it] 9it [00:12, 1.36s/it] 10it [00:13, 1.36s/it] 11it [00:14, 1.36s/it] 12it [00:16, 1.36s/it] 13it [00:17, 1.36s/it] 14it [00:19, 1.36s/it] 15it [00:20, 1.35s/it] 16it [00:21, 1.35s/it] 17it [00:23, 1.35s/it] 18it [00:24, 1.35s/it] 19it [00:25, 1.35s/it] 20it [00:27, 1.35s/it] 21it [00:28, 1.35s/it] 22it [00:29, 1.35s/it] 23it [00:31, 1.35s/it] 24it [00:32, 1.35s/it] 25it [00:33, 1.35s/it] 26it [00:35, 1.35s/it] 27it [00:36, 1.35s/it] 28it [00:37, 1.35s/it] 29it [00:39, 1.35s/it] 30it [00:40, 1.35s/it] 31it [00:41, 1.35s/it] 32it [00:43, 1.35s/it] 33it [00:44, 1.35s/it] 34it [00:46, 1.35s/it] 35it [00:47, 1.35s/it] 36it [00:48, 1.35s/it] 37it [00:50, 1.35s/it] 38it [00:51, 1.34s/it] 39it [00:52, 1.34s/it] 40it [00:54, 1.34s/it] 41it [00:55, 1.34s/it] 42it [00:56, 1.34s/it] 43it [00:58, 1.34s/it] 44it [00:59, 1.35s/it] 45it [01:00, 1.35s/it] 46it [01:02, 1.35s/it] 47it [01:03, 1.35s/it] 48it [01:04, 1.35s/it] 49it [01:06, 1.35s/it] 50it [01:07, 1.35s/it] 51it [01:08, 1.35s/it] 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1.32s/it] 800it [17:25, 1.32s/it] 801it [17:26, 1.32s/it] 802it [17:27, 1.32s/it] 803it [17:28, 1.32s/it] 804it [17:30, 1.32s/it] 805it [17:31, 1.32s/it] 806it [17:32, 1.32s/it] 807it [17:34, 1.32s/it] 808it [17:35, 1.32s/it] 809it [17:36, 1.32s/it] 810it [17:38, 1.32s/it] 811it [17:39, 1.32s/it] 812it [17:40, 1.32s/it] 813it [17:42, 1.32s/it] 814it [17:43, 1.32s/it] 815it [17:44, 1.31s/it] 816it [17:46, 1.32s/it] 817it [17:47, 1.31s/it] 818it [17:48, 1.31s/it] 819it [17:50, 1.31s/it] 820it [17:51, 1.31s/it] 821it [17:52, 1.32s/it] 822it [17:53, 1.32s/it] 823it [17:55, 1.31s/it] 824it [17:56, 1.32s/it] 825it [17:57, 1.31s/it] 826it [17:59, 1.32s/it] 827it [18:00, 1.33s/it] 828it [18:01, 1.33s/it] 829it [18:03, 1.32s/it] 830it [18:04, 1.32s/it] 831it [18:05, 1.32s/it] 832it [18:07, 1.32s/it] 833it [18:08, 1.32s/it] 834it [18:09, 1.32s/it] 835it [18:11, 1.32s/it] 836it [18:12, 1.32s/it] 837it [18:13, 1.32s/it] 838it [18:15, 1.32s/it] 839it [18:16, 1.31s/it] 840it [18:17, 1.31s/it] 841it 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[20:08, 1.32s/it] 925it [20:10, 1.32s/it] 926it [20:11, 1.32s/it] 927it [20:12, 1.32s/it] 928it [20:14, 1.31s/it] 929it [20:15, 1.31s/it] 930it [20:16, 1.32s/it] 931it [20:18, 1.32s/it] 932it [20:19, 1.32s/it] 933it [20:20, 1.32s/it] 934it [20:22, 1.32s/it] 935it [20:23, 1.31s/it] 936it [20:24, 1.31s/it] 937it [20:25, 1.31s/it] 938it [20:27, 1.31s/it] 939it [20:28, 1.31s/it] 940it [20:29, 1.31s/it] 941it [20:31, 1.31s/it] 942it [20:32, 1.31s/it] 943it [20:33, 1.32s/it] 944it [20:35, 1.32s/it] 945it [20:36, 1.32s/it] 946it [20:37, 1.32s/it] 947it [20:39, 1.32s/it] 948it [20:40, 1.31s/it] 949it [20:41, 1.32s/it] 950it [20:43, 1.32s/it] 951it [20:44, 1.32s/it] 952it [20:45, 1.32s/it] 953it [20:47, 1.32s/it] 954it [20:48, 1.32s/it] 955it [20:49, 1.32s/it] 956it [20:50, 1.32s/it] 957it [20:52, 1.32s/it] 958it [20:53, 1.33s/it] 959it [20:54, 1.33s/it] 960it [20:56, 1.33s/it] 961it [20:57, 1.32s/it] 962it [20:58, 1.33s/it] 963it [21:00, 1.33s/it] 964it [21:01, 1.33s/it] 965it [21:02, 1.33s/it] 966it [21:04, 1.33s/it] 967it [21:05, 1.33s/it] 968it [21:06, 1.33s/it] 969it [21:08, 1.33s/it] 970it [21:09, 1.33s/it] 971it [21:10, 1.33s/it] 972it [21:12, 1.33s/it] 973it [21:13, 1.33s/it] 974it [21:14, 1.33s/it] 975it [21:16, 1.33s/it] 976it [21:17, 1.33s/it] 977it [21:18, 1.33s/it] 978it [21:20, 1.33s/it] 979it [21:21, 1.33s/it] 980it [21:22, 1.33s/it] 981it [21:24, 1.33s/it] 982it [21:25, 1.33s/it] 983it [21:26, 1.33s/it] 984it [21:28, 1.33s/it] 985it [21:29, 1.33s/it] 986it [21:30, 1.33s/it] 987it [21:32, 1.33s/it] 988it [21:33, 1.33s/it] 989it [21:34, 1.33s/it] 990it [21:36, 1.33s/it] 991it [21:37, 1.33s/it] 992it [21:38, 1.33s/it] 993it [21:40, 1.33s/it] 994it [21:41, 1.33s/it] 995it [21:42, 1.34s/it] 996it [21:44, 1.33s/it] 997it [21:45, 1.33s/it] 998it [21:46, 1.33s/it] 999it [21:48, 1.33s/it] 1000it [21:49, 1.33s/it] 1000it [21:49, 1.31s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:32.694719 +⏰ Completed process in 0:21:50.092750 diff --git a/chunked/d4-dock_034.csv.gz b/chunked/d4-dock_034.csv.gz index 8e74a19fc5d2f6a6723da4f0d4787175c72f784f..19debfb2ee3dcf89b14a49b76ff5db90d98ff1a6 100644 --- a/chunked/d4-dock_034.csv.gz +++ b/chunked/d4-dock_034.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:62c33a75953ba1d4745c7a2b38ca290e1ea1919a23e71e4266769bfe91e0bb8b -size 37209652 +oid sha256:e0d600297662e20b1f6f16738d07f90a6201501844a814ae7ac204ed8e7534cc +size 37209653 diff --git a/chunked/d4-dock_034.log b/chunked/d4-dock_034.log index 1a134565f1d20d2eec34a0890ee25dc291382b14..ec76c3da71b5f8b4880e1b45e7cff6a97103db61 100644 --- a/chunked/d4-dock_034.log +++ b/chunked/d4-dock_034.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.39s/it] 2it [00:02, 1.39s/it] 3it [00:04, 1.39s/it] 4it [00:05, 1.39s/it] 5it [00:06, 1.39s/it] 6it [00:08, 1.40s/it] 7it [00:09, 1.40s/it] 8it [00:11, 1.39s/it] 9it [00:12, 1.40s/it] 10it [00:13, 1.39s/it] 11it [00:15, 1.39s/it] 12it [00:16, 1.39s/it] 13it [00:18, 1.40s/it] 14it [00:19, 1.40s/it] 15it [00:20, 1.39s/it] 16it [00:22, 1.39s/it] 17it [00:23, 1.39s/it] 18it [00:25, 1.39s/it] 19it [00:26, 1.39s/it] 20it [00:27, 1.40s/it] 21it [00:29, 1.39s/it] 22it [00:30, 1.39s/it] 23it [00:32, 1.39s/it] 24it [00:33, 1.40s/it] 25it [00:34, 1.40s/it] 26it [00:36, 1.40s/it] 27it [00:37, 1.40s/it] 28it [00:39, 1.39s/it] 29it [00:40, 1.39s/it] 30it [00:41, 1.39s/it] 31it [00:43, 1.40s/it] 32it [00:44, 1.40s/it] 33it [00:45, 1.39s/it] 34it [00:47, 1.39s/it] 35it [00:48, 1.39s/it] 36it [00:50, 1.39s/it] 37it [00:51, 1.39s/it] 38it [00:52, 1.40s/it] 39it [00:54, 1.40s/it] 40it [00:55, 1.40s/it] 41it [00:57, 1.40s/it] 42it [00:58, 1.40s/it] 43it [00:59, 1.39s/it] 44it [01:01, 1.39s/it] 45it [01:02, 1.39s/it] 46it [01:04, 1.39s/it] 47it 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[14:26, 1.36s/it] 630it [14:27, 1.37s/it] 631it [14:29, 1.37s/it] 632it [14:30, 1.37s/it] 633it [14:32, 1.37s/it] 634it [14:33, 1.37s/it] 635it [14:34, 1.36s/it] 636it [14:36, 1.36s/it] 637it [14:37, 1.37s/it] 638it [14:38, 1.36s/it] 639it [14:40, 1.37s/it] 640it [14:41, 1.37s/it] 641it [14:42, 1.37s/it] 642it [14:44, 1.36s/it] 643it [14:45, 1.36s/it] 644it [14:47, 1.37s/it] 645it [14:48, 1.37s/it] 646it [14:49, 1.37s/it] 647it [14:51, 1.36s/it] 648it [14:52, 1.37s/it] 649it [14:53, 1.37s/it] 650it [14:55, 1.36s/it] 651it [14:56, 1.37s/it] 652it [14:57, 1.37s/it] 653it [14:59, 1.36s/it] 654it [15:00, 1.36s/it] 655it [15:02, 1.36s/it] 656it [15:03, 1.35s/it] 657it [15:04, 1.36s/it] 658it [15:06, 1.36s/it] 659it [15:07, 1.36s/it] 660it [15:08, 1.36s/it] 661it [15:10, 1.37s/it] 662it [15:11, 1.37s/it] 663it [15:12, 1.36s/it] 664it [15:14, 1.36s/it] 665it [15:15, 1.36s/it] 666it [15:16, 1.36s/it] 667it [15:18, 1.36s/it] 668it [15:19, 1.35s/it] 669it [15:21, 1.36s/it] 670it [15:22, 1.37s/it] 671it [15:23, 1.37s/it] 672it [15:25, 1.36s/it] 673it [15:26, 1.36s/it] 674it [15:27, 1.36s/it] 675it [15:29, 1.36s/it] 676it [15:30, 1.36s/it] 677it [15:31, 1.36s/it] 678it [15:33, 1.36s/it] 679it [15:34, 1.37s/it] 680it [15:36, 1.38s/it] 681it [15:37, 1.37s/it] 682it [15:38, 1.37s/it] 683it [15:40, 1.37s/it] 684it [15:41, 1.37s/it] 685it [15:42, 1.36s/it] 686it [15:44, 1.36s/it] 687it [15:45, 1.36s/it] 688it [15:47, 1.36s/it] 689it [15:48, 1.36s/it] 690it [15:49, 1.36s/it] 691it [15:51, 1.36s/it] 692it [15:52, 1.36s/it] 693it [15:53, 1.36s/it] 694it [15:55, 1.36s/it] 695it [15:56, 1.36s/it] 696it [15:57, 1.36s/it] 697it [15:59, 1.35s/it] 698it [16:00, 1.35s/it] 699it [16:01, 1.36s/it] 700it [16:03, 1.36s/it] 701it [16:04, 1.36s/it] 702it [16:05, 1.36s/it] 703it [16:07, 1.36s/it] 704it [16:08, 1.36s/it] 705it [16:10, 1.36s/it] 706it [16:11, 1.36s/it] 707it [16:12, 1.37s/it] 708it [16:14, 1.37s/it] 709it [16:15, 1.37s/it] 710it [16:16, 1.37s/it] 711it [16:18, 1.37s/it] 712it [16:19, 1.37s/it] 713it [16:21, 1.37s/it] 714it [16:22, 1.37s/it] 715it [16:23, 1.37s/it] 716it [16:25, 1.37s/it] 717it [16:26, 1.37s/it] 718it [16:27, 1.36s/it] 719it [16:29, 1.36s/it] 720it [16:30, 1.36s/it] 721it [16:31, 1.36s/it] 722it [16:33, 1.36s/it] 723it [16:34, 1.36s/it] 724it [16:36, 1.37s/it] 725it [16:37, 1.37s/it] 726it [16:38, 1.37s/it] 727it [16:40, 1.37s/it] 728it [16:41, 1.37s/it] 729it [16:42, 1.36s/it] 730it [16:44, 1.36s/it] 731it [16:45, 1.36s/it] 732it [16:46, 1.36s/it] 733it [16:48, 1.36s/it] 734it [16:49, 1.36s/it] 735it [16:51, 1.36s/it] 736it [16:52, 1.36s/it] 737it [16:53, 1.36s/it] 738it [16:55, 1.36s/it] 739it [16:56, 1.36s/it] 740it [16:57, 1.35s/it] 741it [16:59, 1.35s/it] 742it [17:00, 1.36s/it] 743it [17:01, 1.36s/it] 744it [17:03, 1.36s/it] 745it [17:04, 1.36s/it] 746it [17:05, 1.36s/it] 747it [17:07, 1.35s/it] 748it [17:08, 1.36s/it] 749it [17:10, 1.36s/it] 750it [17:11, 1.36s/it] 751it [17:12, 1.36s/it] 752it [17:14, 1.36s/it] 753it [17:15, 1.35s/it] 754it [17:16, 1.35s/it] 755it [17:18, 1.35s/it] 756it [17:19, 1.35s/it] 757it [17:20, 1.35s/it] 758it [17:22, 1.35s/it] 759it [17:23, 1.35s/it] 760it [17:24, 1.35s/it] 761it [17:26, 1.36s/it] 762it [17:27, 1.36s/it] 763it [17:28, 1.35s/it] 764it [17:30, 1.35s/it] 765it [17:31, 1.35s/it] 766it [17:33, 1.35s/it] 767it [17:34, 1.35s/it] 768it [17:35, 1.35s/it] 769it [17:37, 1.35s/it] 770it [17:38, 1.35s/it] 771it [17:39, 1.36s/it] 772it [17:41, 1.36s/it] 773it [17:42, 1.36s/it] 774it [17:43, 1.35s/it] 775it [17:45, 1.35s/it] 776it [17:46, 1.36s/it] 777it [17:47, 1.36s/it] 778it [17:49, 1.36s/it] 779it [17:50, 1.36s/it] 780it [17:51, 1.36s/it] 781it [17:53, 1.36s/it] 782it [17:54, 1.35s/it] 783it [17:56, 1.36s/it] 784it [17:57, 1.36s/it] 785it [17:58, 1.36s/it] 786it [18:00, 1.36s/it] 787it [18:01, 1.36s/it] 788it [18:02, 1.36s/it] 789it [18:04, 1.36s/it] 790it [18:05, 1.36s/it] 791it [18:06, 1.36s/it] 792it [18:08, 1.36s/it] 793it [18:09, 1.36s/it] 794it [18:11, 1.36s/it] 795it [18:12, 1.36s/it] 796it [18:13, 1.36s/it] 797it [18:15, 1.36s/it] 798it [18:16, 1.37s/it] 799it [18:17, 1.37s/it] 800it [18:19, 1.37s/it] 801it [18:20, 1.37s/it] 802it [18:21, 1.36s/it] 803it [18:23, 1.36s/it] 804it [18:24, 1.37s/it] 805it [18:26, 1.37s/it] 806it [18:27, 1.36s/it] 807it [18:28, 1.36s/it] 808it [18:30, 1.36s/it] 809it [18:31, 1.36s/it] 810it [18:32, 1.36s/it] 811it [18:34, 1.36s/it] 812it [18:35, 1.36s/it] 813it [18:36, 1.36s/it] 814it [18:38, 1.35s/it] 815it [18:39, 1.35s/it] 816it [18:40, 1.36s/it] 817it [18:42, 1.35s/it] 818it [18:43, 1.35s/it] 819it [18:45, 1.35s/it] 820it [18:46, 1.35s/it] 821it [18:47, 1.35s/it] 822it [18:49, 1.35s/it] 823it [18:50, 1.35s/it] 824it [18:51, 1.36s/it] 825it [18:53, 1.36s/it] 826it [18:54, 1.36s/it] 827it [18:55, 1.38s/it] 828it [18:57, 1.37s/it] 829it [18:58, 1.36s/it] 830it [19:00, 1.36s/it] 831it [19:01, 1.36s/it] 832it [19:02, 1.36s/it] 833it [19:04, 1.36s/it] 834it [19:05, 1.36s/it] 835it [19:06, 1.36s/it] 836it [19:08, 1.36s/it] 837it [19:09, 1.36s/it] 838it [19:10, 1.36s/it] 839it [19:12, 1.36s/it] 840it [19:13, 1.36s/it] 841it [19:14, 1.37s/it] 842it [19:16, 1.36s/it] 843it [19:17, 1.36s/it] 844it [19:19, 1.37s/it] 845it [19:20, 1.36s/it] 846it [19:21, 1.36s/it] 847it [19:23, 1.36s/it] 848it [19:24, 1.37s/it] 849it [19:25, 1.37s/it] 850it [19:27, 1.37s/it] 851it [19:28, 1.37s/it] 852it [19:29, 1.36s/it] 853it [19:31, 1.36s/it] 854it [19:32, 1.37s/it] 855it [19:34, 1.36s/it] 856it [19:35, 1.36s/it] 857it [19:36, 1.36s/it] 858it [19:38, 1.36s/it] 859it [19:39, 1.36s/it] 860it [19:40, 1.36s/it] 861it [19:42, 1.36s/it] 862it [19:43, 1.36s/it] 863it [19:44, 1.36s/it] 864it [19:46, 1.36s/it] 865it [19:47, 1.36s/it] 866it [19:49, 1.36s/it] 867it [19:50, 1.36s/it] 868it [19:51, 1.36s/it] 869it [19:53, 1.36s/it] 870it [19:54, 1.36s/it] 871it [19:55, 1.36s/it] 872it [19:57, 1.36s/it] 873it [19:58, 1.36s/it] 874it [19:59, 1.36s/it] 875it [20:01, 1.36s/it] 876it [20:02, 1.36s/it] 877it [20:04, 1.36s/it] 878it [20:05, 1.36s/it] 879it [20:06, 1.37s/it] 880it [20:08, 1.37s/it] 881it [20:09, 1.37s/it] 882it [20:10, 1.37s/it] 883it [20:12, 1.37s/it] 884it [20:13, 1.37s/it] 885it [20:14, 1.36s/it] 886it [20:16, 1.37s/it] 887it [20:17, 1.37s/it] 888it [20:19, 1.37s/it] 889it [20:20, 1.37s/it] 890it [20:21, 1.37s/it] 891it [20:23, 1.37s/it] 892it [20:24, 1.38s/it] 893it [20:25, 1.38s/it] 894it [20:27, 1.37s/it] 895it [20:28, 1.37s/it] 896it [20:30, 1.37s/it] 897it [20:31, 1.37s/it] 898it [20:32, 1.37s/it] 899it [20:34, 1.37s/it] 900it [20:35, 1.37s/it] 901it [20:36, 1.37s/it] 902it [20:38, 1.37s/it] 903it [20:39, 1.37s/it] 904it [20:41, 1.38s/it] 905it [20:42, 1.38s/it] 906it [20:43, 1.37s/it] 907it [20:45, 1.37s/it] 908it [20:46, 1.37s/it] 909it [20:47, 1.37s/it] 910it [20:49, 1.37s/it] 911it [20:50, 1.37s/it] 912it [20:52, 1.37s/it] 913it [20:53, 1.37s/it] 914it [20:54, 1.37s/it] 915it [20:56, 1.37s/it] 916it [20:57, 1.37s/it] 917it [20:58, 1.37s/it] 918it [21:00, 1.37s/it] 919it [21:01, 1.37s/it] 920it [21:02, 1.37s/it] 921it [21:04, 1.37s/it] 922it [21:05, 1.37s/it] 923it [21:07, 1.37s/it] 924it [21:08, 1.37s/it] 925it [21:09, 1.37s/it] 926it [21:11, 1.38s/it] 927it [21:12, 1.37s/it] 928it [21:13, 1.37s/it] 929it [21:15, 1.38s/it] 930it [21:16, 1.37s/it] 931it [21:18, 1.37s/it] 932it [21:19, 1.37s/it] 933it [21:20, 1.37s/it] 934it [21:22, 1.37s/it] 935it [21:23, 1.37s/it] 936it [21:24, 1.38s/it] 937it [21:26, 1.38s/it] 938it [21:27, 1.37s/it] 939it [21:29, 1.37s/it] 940it [21:30, 1.38s/it] 941it [21:31, 1.38s/it] 942it [21:33, 1.38s/it] 943it [21:34, 1.38s/it] 944it [21:35, 1.38s/it] 945it [21:37, 1.38s/it] 946it [21:38, 1.38s/it] 947it [21:40, 1.38s/it] 948it [21:41, 1.38s/it] 949it [21:42, 1.38s/it] 950it [21:44, 1.38s/it] 951it [21:45, 1.38s/it] 952it [21:46, 1.38s/it] 953it [21:48, 1.37s/it] 954it [21:49, 1.37s/it] 955it [21:51, 1.38s/it] 956it [21:52, 1.38s/it] 957it [21:53, 1.37s/it] 958it [21:55, 1.38s/it] 959it [21:56, 1.37s/it] 960it [21:57, 1.38s/it] 961it [21:59, 1.37s/it] 962it [22:00, 1.37s/it] 963it [22:02, 1.37s/it] 964it [22:03, 1.37s/it] 965it [22:04, 1.37s/it] 966it [22:06, 1.37s/it] 967it [22:07, 1.37s/it] 968it [22:08, 1.37s/it] 969it [22:10, 1.37s/it] 970it [22:11, 1.38s/it] 971it [22:13, 1.37s/it] 972it [22:14, 1.38s/it] 973it [22:15, 1.38s/it] 974it [22:17, 1.38s/it] 975it [22:18, 1.37s/it] 976it [22:19, 1.37s/it] 977it [22:21, 1.38s/it] 978it [22:22, 1.38s/it] 979it [22:24, 1.37s/it] 980it [22:25, 1.38s/it] 981it [22:26, 1.38s/it] 982it [22:28, 1.38s/it] 983it [22:29, 1.37s/it] 984it [22:30, 1.37s/it] 985it [22:32, 1.37s/it] 986it [22:33, 1.37s/it] 987it [22:35, 1.37s/it] 988it [22:36, 1.38s/it] 989it [22:37, 1.37s/it] 990it [22:39, 1.37s/it] 991it [22:40, 1.37s/it] 992it [22:41, 1.37s/it] 993it [22:43, 1.38s/it] 994it [22:44, 1.38s/it] 995it [22:46, 1.38s/it] 996it [22:47, 1.37s/it] 997it [22:48, 1.37s/it] 998it [22:50, 1.37s/it] 999it [22:51, 1.37s/it] 1000it [22:52, 1.37s/it] 1000it [22:52, 1.37s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:57.041537 +⏰ Completed process in 0:22:53.441229 diff --git a/chunked/d4-dock_035.csv.gz b/chunked/d4-dock_035.csv.gz index 73f3d701806df431f1af9ba78c482db681159308..9c444c8cbba6431374996cff0c2b18584dbbaad2 100644 --- a/chunked/d4-dock_035.csv.gz +++ b/chunked/d4-dock_035.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:8bd8d7c855b7d2d637fdcf9f500e7abaa7b96e68b30b877fc547ff0aafc3d9c4 -size 36532899 +oid sha256:c552cefadc1e8d045ef728373a722f4964f70255e352ffd91f913a4d4f90a04e +size 36532892 diff --git a/chunked/d4-dock_035.log b/chunked/d4-dock_035.log index 20012a762e85e1f25f673564811bf2df942102f8..3e7fef81c0b684d2f93644fa81cdcb16e635acf3 100644 --- a/chunked/d4-dock_035.log +++ b/chunked/d4-dock_035.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.36s/it] 2it [00:02, 1.37s/it] 3it [00:04, 1.36s/it] 4it [00:05, 1.36s/it] 5it [00:06, 1.35s/it] 6it [00:08, 1.35s/it] 7it [00:09, 1.35s/it] 8it [00:10, 1.35s/it] 9it [00:12, 1.35s/it] 10it [00:13, 1.35s/it] 11it [00:14, 1.35s/it] 12it [00:16, 1.35s/it] 13it [00:17, 1.35s/it] 14it [00:18, 1.35s/it] 15it [00:20, 1.35s/it] 16it [00:21, 1.35s/it] 17it [00:22, 1.35s/it] 18it [00:24, 1.36s/it] 19it [00:25, 1.36s/it] 20it [00:27, 1.36s/it] 21it [00:28, 1.35s/it] 22it [00:29, 1.35s/it] 23it [00:31, 1.35s/it] 24it [00:32, 1.35s/it] 25it [00:33, 1.35s/it] 26it [00:35, 1.35s/it] 27it [00:36, 1.35s/it] 28it [00:37, 1.34s/it] 29it [00:39, 1.34s/it] 30it [00:40, 1.35s/it] 31it [00:41, 1.35s/it] 32it [00:43, 1.35s/it] 33it [00:44, 1.35s/it] 34it [00:45, 1.35s/it] 35it [00:47, 1.35s/it] 36it [00:48, 1.35s/it] 37it [00:49, 1.35s/it] 38it [00:51, 1.35s/it] 39it [00:52, 1.35s/it] 40it [00:54, 1.34s/it] 41it [00:55, 1.34s/it] 42it [00:56, 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[20:41, 1.34s/it] 916it [20:43, 1.34s/it] 917it [20:44, 1.34s/it] 918it [20:45, 1.33s/it] 919it [20:47, 1.34s/it] 920it [20:48, 1.34s/it] 921it [20:49, 1.34s/it] 922it [20:51, 1.34s/it] 923it [20:52, 1.34s/it] 924it [20:53, 1.34s/it] 925it [20:55, 1.35s/it] 926it [20:56, 1.35s/it] 927it [20:57, 1.35s/it] 928it [20:59, 1.36s/it] 929it [21:00, 1.36s/it] 930it [21:01, 1.36s/it] 931it [21:03, 1.36s/it] 932it [21:04, 1.36s/it] 933it [21:05, 1.36s/it] 934it [21:07, 1.36s/it] 935it [21:08, 1.36s/it] 936it [21:10, 1.35s/it] 937it [21:11, 1.36s/it] 938it [21:12, 1.36s/it] 939it [21:14, 1.37s/it] 940it [21:15, 1.36s/it] 941it [21:16, 1.36s/it] 942it [21:18, 1.36s/it] 943it [21:19, 1.36s/it] 944it [21:20, 1.36s/it] 945it [21:22, 1.36s/it] 946it [21:23, 1.36s/it] 947it [21:25, 1.37s/it] 948it [21:26, 1.38s/it] 949it [21:27, 1.38s/it] 950it [21:29, 1.37s/it] 951it [21:30, 1.36s/it] 952it [21:31, 1.37s/it] 953it [21:33, 1.36s/it] 954it [21:34, 1.36s/it] 955it [21:35, 1.36s/it] 956it [21:37, 1.36s/it] 957it [21:38, 1.36s/it] 958it [21:40, 1.35s/it] 959it [21:41, 1.35s/it] 960it [21:42, 1.35s/it] 961it [21:44, 1.36s/it] 962it [21:45, 1.36s/it] 963it [21:46, 1.36s/it] 964it [21:48, 1.37s/it] 965it [21:49, 1.36s/it] 966it [21:50, 1.37s/it] 967it [21:52, 1.36s/it] 968it [21:53, 1.36s/it] 969it [21:55, 1.36s/it] 970it [21:56, 1.36s/it] 971it [21:57, 1.36s/it] 972it [21:59, 1.36s/it] 973it [22:00, 1.36s/it] 974it [22:01, 1.36s/it] 975it [22:03, 1.35s/it] 976it [22:04, 1.36s/it] 977it [22:05, 1.36s/it] 978it [22:07, 1.36s/it] 979it [22:08, 1.36s/it] 980it [22:09, 1.36s/it] 981it [22:11, 1.35s/it] 982it [22:12, 1.35s/it] 983it [22:14, 1.36s/it] 984it [22:15, 1.36s/it] 985it [22:16, 1.36s/it] 986it [22:18, 1.35s/it] 987it [22:19, 1.36s/it] 988it [22:20, 1.36s/it] 989it [22:22, 1.36s/it] 990it [22:23, 1.36s/it] 991it [22:24, 1.37s/it] 992it [22:26, 1.37s/it] 993it [22:27, 1.37s/it] 994it [22:28, 1.37s/it] 995it [22:30, 1.36s/it] 996it [22:31, 1.36s/it] 997it [22:33, 1.36s/it] 998it [22:34, 1.35s/it] 999it [22:35, 1.35s/it] 1000it [22:37, 1.35s/it] 1000it [22:37, 1.36s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:15.754974 +⏰ Completed process in 0:22:37.736446 diff --git a/chunked/d4-dock_036.csv.gz b/chunked/d4-dock_036.csv.gz index 31efb61ca9dcb840a6dc8a9243cc7c343937167c..0adb734f9052a680a87e5c2745f85b91a56821ce 100644 --- a/chunked/d4-dock_036.csv.gz +++ b/chunked/d4-dock_036.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:907b111eda73ef2789b57f965ff84f2ddbe55ac747dd90e1586c6ae53839138e -size 36072104 +oid sha256:97ba68ce66ec131db7863a1694e86b770d61e59b8a3174b4c98768d670f624fa +size 36072133 diff --git a/chunked/d4-dock_036.log b/chunked/d4-dock_036.log index 5b6c714f7c8ab9af447903c0d02cf1ee1d7abd5a..a5270f9f48a0665e653d814b3cc52d2cb1d680a8 100644 --- a/chunked/d4-dock_036.log +++ b/chunked/d4-dock_036.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.33s/it] 2it [00:02, 1.34s/it] 3it [00:04, 1.34s/it] 4it [00:05, 1.34s/it] 5it [00:06, 1.34s/it] 6it [00:08, 1.33s/it] 7it [00:09, 1.34s/it] 8it [00:10, 1.34s/it] 9it [00:12, 1.34s/it] 10it [00:13, 1.34s/it] 11it [00:14, 1.34s/it] 12it [00:16, 1.34s/it] 13it [00:17, 1.34s/it] 14it [00:18, 1.34s/it] 15it [00:20, 1.34s/it] 16it [00:21, 1.33s/it] 17it [00:22, 1.33s/it] 18it [00:24, 1.33s/it] 19it [00:25, 1.33s/it] 20it [00:26, 1.33s/it] 21it [00:28, 1.33s/it] 22it [00:29, 1.33s/it] 23it [00:30, 1.33s/it] 24it [00:32, 1.34s/it] 25it [00:33, 1.34s/it] 26it [00:34, 1.33s/it] 27it [00:36, 1.34s/it] 28it [00:37, 1.34s/it] 29it [00:38, 1.34s/it] 30it [00:40, 1.34s/it] 31it [00:41, 1.34s/it] 32it [00:42, 1.34s/it] 33it [00:44, 1.34s/it] 34it [00:45, 1.34s/it] 35it [00:46, 1.34s/it] 36it [00:48, 1.34s/it] 37it [00:49, 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[14:59, 1.37s/it] 662it [15:00, 1.37s/it] 663it [15:01, 1.37s/it] 664it [15:03, 1.37s/it] 665it [15:04, 1.37s/it] 666it [15:05, 1.37s/it] 667it [15:07, 1.37s/it] 668it [15:08, 1.37s/it] 669it [15:09, 1.36s/it] 670it [15:11, 1.36s/it] 671it [15:12, 1.36s/it] 672it [15:14, 1.36s/it] 673it [15:15, 1.36s/it] 674it [15:16, 1.37s/it] 675it [15:18, 1.36s/it] 676it [15:19, 1.36s/it] 677it [15:20, 1.36s/it] 678it [15:22, 1.36s/it] 679it [15:23, 1.35s/it] 680it [15:24, 1.36s/it] 681it [15:26, 1.36s/it] 682it [15:27, 1.36s/it] 683it [15:28, 1.35s/it] 684it [15:30, 1.36s/it] 685it [15:31, 1.36s/it] 686it [15:33, 1.35s/it] 687it [15:34, 1.36s/it] 688it [15:35, 1.35s/it] 689it [15:37, 1.35s/it] 690it [15:38, 1.35s/it] 691it [15:39, 1.36s/it] 692it [15:41, 1.36s/it] 693it [15:42, 1.36s/it] 694it [15:43, 1.36s/it] 695it [15:45, 1.36s/it] 696it [15:46, 1.36s/it] 697it [15:47, 1.36s/it] 698it [15:49, 1.36s/it] 699it [15:50, 1.36s/it] 700it [15:52, 1.37s/it] 701it [15:53, 1.36s/it] 702it [15:54, 1.36s/it] 703it [15:56, 1.36s/it] 704it [15:57, 1.36s/it] 705it [15:58, 1.36s/it] 706it [16:00, 1.36s/it] 707it [16:01, 1.36s/it] 708it [16:02, 1.36s/it] 709it [16:04, 1.36s/it] 710it [16:05, 1.36s/it] 711it [16:07, 1.36s/it] 712it [16:08, 1.36s/it] 713it [16:09, 1.36s/it] 714it [16:11, 1.36s/it] 715it [16:12, 1.36s/it] 716it [16:13, 1.36s/it] 717it [16:15, 1.36s/it] 718it [16:16, 1.36s/it] 719it [16:17, 1.36s/it] 720it [16:19, 1.36s/it] 721it [16:20, 1.36s/it] 722it [16:22, 1.36s/it] 723it [16:23, 1.36s/it] 724it [16:24, 1.36s/it] 725it [16:26, 1.36s/it] 726it [16:27, 1.36s/it] 727it [16:28, 1.36s/it] 728it [16:30, 1.36s/it] 729it [16:31, 1.36s/it] 730it [16:32, 1.36s/it] 731it [16:34, 1.36s/it] 732it [16:35, 1.36s/it] 733it [16:36, 1.36s/it] 734it [16:38, 1.36s/it] 735it [16:39, 1.35s/it] 736it [16:41, 1.36s/it] 737it [16:42, 1.35s/it] 738it [16:43, 1.36s/it] 739it [16:45, 1.35s/it] 740it [16:46, 1.35s/it] 741it [16:47, 1.35s/it] 742it [16:49, 1.35s/it] 743it [16:50, 1.35s/it] 744it [16:51, 1.36s/it] 745it [16:53, 1.36s/it] 746it [16:54, 1.35s/it] 747it [16:55, 1.35s/it] 748it [16:57, 1.35s/it] 749it [16:58, 1.35s/it] 750it [16:59, 1.36s/it] 751it [17:01, 1.36s/it] 752it [17:02, 1.36s/it] 753it [17:04, 1.36s/it] 754it [17:05, 1.36s/it] 755it [17:06, 1.36s/it] 756it [17:08, 1.36s/it] 757it [17:09, 1.35s/it] 758it [17:10, 1.35s/it] 759it [17:12, 1.35s/it] 760it [17:13, 1.35s/it] 761it [17:14, 1.35s/it] 762it [17:16, 1.35s/it] 763it [17:17, 1.35s/it] 764it [17:18, 1.35s/it] 765it [17:20, 1.35s/it] 766it [17:21, 1.35s/it] 767it [17:22, 1.35s/it] 768it [17:24, 1.35s/it] 769it [17:25, 1.35s/it] 770it [17:27, 1.35s/it] 771it [17:28, 1.35s/it] 772it [17:29, 1.35s/it] 773it [17:31, 1.36s/it] 774it [17:32, 1.35s/it] 775it [17:33, 1.36s/it] 776it [17:35, 1.35s/it] 777it [17:36, 1.36s/it] 778it [17:37, 1.36s/it] 779it [17:39, 1.36s/it] 780it [17:40, 1.36s/it] 781it [17:41, 1.36s/it] 782it [17:43, 1.36s/it] 783it [17:44, 1.35s/it] 784it [17:45, 1.36s/it] 785it [17:47, 1.36s/it] 786it [17:48, 1.36s/it] 787it [17:50, 1.36s/it] 788it [17:51, 1.36s/it] 789it [17:52, 1.36s/it] 790it [17:54, 1.36s/it] 791it [17:55, 1.36s/it] 792it [17:56, 1.36s/it] 793it [17:58, 1.36s/it] 794it [17:59, 1.36s/it] 795it [18:00, 1.36s/it] 796it [18:02, 1.36s/it] 797it [18:03, 1.36s/it] 798it [18:05, 1.36s/it] 799it [18:06, 1.35s/it] 800it [18:07, 1.35s/it] 801it [18:09, 1.36s/it] 802it [18:10, 1.36s/it] 803it [18:11, 1.37s/it] 804it [18:13, 1.36s/it] 805it [18:14, 1.36s/it] 806it [18:15, 1.37s/it] 807it [18:17, 1.37s/it] 808it [18:18, 1.36s/it] 809it [18:20, 1.36s/it] 810it [18:21, 1.36s/it] 811it [18:22, 1.36s/it] 812it [18:24, 1.36s/it] 813it [18:25, 1.36s/it] 814it [18:26, 1.36s/it] 815it [18:28, 1.36s/it] 816it [18:29, 1.37s/it] 817it [18:30, 1.37s/it] 818it [18:32, 1.36s/it] 819it [18:33, 1.36s/it] 820it [18:35, 1.36s/it] 821it [18:36, 1.36s/it] 822it [18:37, 1.36s/it] 823it [18:39, 1.36s/it] 824it [18:40, 1.36s/it] 825it [18:41, 1.36s/it] 826it [18:43, 1.35s/it] 827it [18:44, 1.37s/it] 828it [18:45, 1.36s/it] 829it [18:47, 1.36s/it] 830it [18:48, 1.36s/it] 831it [18:49, 1.36s/it] 832it [18:51, 1.36s/it] 833it [18:52, 1.36s/it] 834it [18:54, 1.36s/it] 835it [18:55, 1.36s/it] 836it [18:56, 1.36s/it] 837it [18:58, 1.36s/it] 838it [18:59, 1.36s/it] 839it [19:00, 1.36s/it] 840it [19:02, 1.36s/it] 841it [19:03, 1.36s/it] 842it [19:04, 1.36s/it] 843it [19:06, 1.36s/it] 844it [19:07, 1.36s/it] 845it [19:09, 1.37s/it] 846it [19:10, 1.37s/it] 847it [19:11, 1.36s/it] 848it [19:13, 1.36s/it] 849it [19:14, 1.36s/it] 850it [19:15, 1.36s/it] 851it [19:17, 1.36s/it] 852it [19:18, 1.36s/it] 853it [19:19, 1.36s/it] 854it [19:21, 1.36s/it] 855it [19:22, 1.36s/it] 856it [19:23, 1.36s/it] 857it [19:25, 1.35s/it] 858it [19:26, 1.36s/it] 859it [19:28, 1.36s/it] 860it [19:29, 1.36s/it] 861it [19:30, 1.35s/it] 862it [19:32, 1.36s/it] 863it [19:33, 1.36s/it] 864it [19:34, 1.35s/it] 865it [19:36, 1.35s/it] 866it [19:37, 1.35s/it] 867it [19:38, 1.35s/it] 868it [19:40, 1.36s/it] 869it [19:41, 1.35s/it] 870it [19:42, 1.35s/it] 871it [19:44, 1.35s/it] 872it [19:45, 1.36s/it] 873it [19:47, 1.36s/it] 874it [19:48, 1.36s/it] 875it [19:49, 1.36s/it] 876it [19:51, 1.36s/it] 877it [19:52, 1.35s/it] 878it [19:53, 1.36s/it] 879it [19:55, 1.35s/it] 880it [19:56, 1.35s/it] 881it [19:57, 1.35s/it] 882it [19:59, 1.35s/it] 883it [20:00, 1.36s/it] 884it [20:01, 1.36s/it] 885it [20:03, 1.36s/it] 886it [20:04, 1.36s/it] 887it [20:05, 1.35s/it] 888it [20:07, 1.35s/it] 889it [20:08, 1.35s/it] 890it [20:10, 1.35s/it] 891it [20:11, 1.35s/it] 892it [20:12, 1.35s/it] 893it [20:14, 1.35s/it] 894it [20:15, 1.35s/it] 895it [20:16, 1.35s/it] 896it [20:18, 1.35s/it] 897it [20:19, 1.35s/it] 898it [20:20, 1.35s/it] 899it [20:22, 1.35s/it] 900it [20:23, 1.35s/it] 901it [20:24, 1.35s/it] 902it [20:26, 1.35s/it] 903it [20:27, 1.35s/it] 904it [20:28, 1.35s/it] 905it [20:30, 1.35s/it] 906it [20:31, 1.36s/it] 907it [20:33, 1.36s/it] 908it [20:34, 1.35s/it] 909it [20:35, 1.35s/it] 910it [20:37, 1.35s/it] 911it [20:38, 1.35s/it] 912it [20:39, 1.35s/it] 913it [20:41, 1.34s/it] 914it [20:42, 1.34s/it] 915it [20:43, 1.35s/it] 916it [20:45, 1.35s/it] 917it [20:46, 1.34s/it] 918it [20:47, 1.34s/it] 919it [20:49, 1.35s/it] 920it [20:50, 1.35s/it] 921it [20:51, 1.34s/it] 922it [20:53, 1.34s/it] 923it [20:54, 1.34s/it] 924it [20:55, 1.33s/it] 925it [20:57, 1.33s/it] 926it [20:58, 1.33s/it] 927it [20:59, 1.34s/it] 928it [21:01, 1.34s/it] 929it [21:02, 1.34s/it] 930it [21:03, 1.34s/it] 931it [21:05, 1.34s/it] 932it [21:06, 1.34s/it] 933it [21:07, 1.34s/it] 934it [21:09, 1.34s/it] 935it [21:10, 1.34s/it] 936it [21:11, 1.34s/it] 937it [21:13, 1.34s/it] 938it [21:14, 1.35s/it] 939it [21:15, 1.34s/it] 940it [21:17, 1.34s/it] 941it [21:18, 1.35s/it] 942it [21:20, 1.35s/it] 943it [21:21, 1.35s/it] 944it [21:22, 1.35s/it] 945it [21:24, 1.35s/it] 946it [21:25, 1.35s/it] 947it [21:26, 1.35s/it] 948it [21:28, 1.35s/it] 949it [21:29, 1.35s/it] 950it [21:30, 1.35s/it] 951it [21:32, 1.35s/it] 952it [21:33, 1.35s/it] 953it [21:34, 1.35s/it] 954it [21:36, 1.35s/it] 955it [21:37, 1.35s/it] 956it [21:39, 1.36s/it] 957it [21:40, 1.36s/it] 958it [21:41, 1.36s/it] 959it [21:43, 1.35s/it] 960it [21:44, 1.35s/it] 961it [21:45, 1.35s/it] 962it [21:47, 1.35s/it] 963it [21:48, 1.35s/it] 964it [21:49, 1.35s/it] 965it [21:51, 1.35s/it] 966it [21:52, 1.35s/it] 967it [21:53, 1.36s/it] 968it [21:55, 1.36s/it] 969it [21:56, 1.36s/it] 970it [21:57, 1.36s/it] 971it [21:59, 1.36s/it] 972it [22:00, 1.37s/it] 973it [22:02, 1.37s/it] 974it [22:03, 1.37s/it] 975it [22:04, 1.37s/it] 976it [22:06, 1.36s/it] 977it [22:07, 1.36s/it] 978it [22:08, 1.37s/it] 979it [22:10, 1.37s/it] 980it [22:11, 1.36s/it] 981it [22:12, 1.36s/it] 982it [22:14, 1.36s/it] 983it [22:15, 1.36s/it] 984it [22:17, 1.36s/it] 985it [22:18, 1.36s/it] 986it [22:19, 1.36s/it] 987it [22:21, 1.36s/it] 988it [22:22, 1.36s/it] 989it [22:23, 1.35s/it] 990it [22:25, 1.35s/it] 991it [22:26, 1.35s/it] 992it [22:27, 1.35s/it] 993it [22:29, 1.35s/it] 994it [22:30, 1.34s/it] 995it [22:31, 1.34s/it] 996it [22:33, 1.34s/it] 997it [22:34, 1.34s/it] 998it [22:35, 1.34s/it] 999it [22:37, 1.35s/it] 1000it [22:38, 1.35s/it] 1000it [22:38, 1.36s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:38.618407 +⏰ Completed process in 0:22:39.177557 diff --git a/chunked/d4-dock_037.csv.gz b/chunked/d4-dock_037.csv.gz index db2ba0388e24c5b1eb2f05b522061de5f3e7c000..ebe0132a27b780f0605e213282345a8e49776d2b 100644 --- a/chunked/d4-dock_037.csv.gz +++ b/chunked/d4-dock_037.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:9771cbfc0753ce60810c89890f20c7c20c3cf8441c7e5299d355e67a33bb8af9 -size 36768608 +oid sha256:a873463a755c4f8830fc80934c7f79a84a7b0c56c4d58f5501efeb790f8809bb +size 36768687 diff --git a/chunked/d4-dock_037.log b/chunked/d4-dock_037.log index c0fe1fda4e86950c3383a37700bc161840060024..4de9ec8795356bc9c25bb9485f1a841f94180988 100644 --- a/chunked/d4-dock_037.log +++ b/chunked/d4-dock_037.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.36s/it] 2it [00:02, 1.36s/it] 3it [00:04, 1.36s/it] 4it [00:05, 1.36s/it] 5it [00:06, 1.36s/it] 6it [00:08, 1.36s/it] 7it [00:09, 1.36s/it] 8it [00:10, 1.36s/it] 9it [00:12, 1.36s/it] 10it [00:13, 1.35s/it] 11it [00:14, 1.36s/it] 12it [00:16, 1.36s/it] 13it [00:17, 1.35s/it] 14it [00:18, 1.35s/it] 15it [00:20, 1.35s/it] 16it [00:21, 1.35s/it] 17it [00:23, 1.35s/it] 18it [00:24, 1.35s/it] 19it [00:25, 1.35s/it] 20it [00:27, 1.36s/it] 21it [00:28, 1.36s/it] 22it [00:29, 1.36s/it] 23it [00:31, 1.36s/it] 24it [00:32, 1.36s/it] 25it [00:33, 1.35s/it] 26it [00:35, 1.35s/it] 27it [00:36, 1.35s/it] 28it [00:37, 1.35s/it] 29it [00:39, 1.35s/it] 30it [00:40, 1.35s/it] 31it [00:41, 1.34s/it] 32it [00:43, 1.34s/it] 33it [00:44, 1.35s/it] 34it [00:46, 1.34s/it] 35it [00:47, 1.34s/it] 36it [00:48, 1.34s/it] 37it [00:50, 1.34s/it] 38it [00:51, 1.34s/it] 39it [00:52, 1.34s/it] 40it [00:54, 1.33s/it] 41it [00:55, 1.33s/it] 42it [00:56, 1.33s/it] 43it [00:58, 1.33s/it] 44it [00:59, 1.33s/it] 45it [01:00, 1.33s/it] 46it [01:02, 1.33s/it] 47it [01:03, 1.34s/it] 48it [01:04, 1.34s/it] 49it [01:06, 1.34s/it] 50it [01:07, 1.34s/it] 51it [01:08, 1.34s/it] 52it [01:10, 1.34s/it] 53it [01:11, 1.34s/it] 54it [01:12, 1.34s/it] 55it [01:14, 1.34s/it] 56it [01:15, 1.34s/it] 57it [01:16, 1.34s/it] 58it [01:18, 1.34s/it] 59it [01:19, 1.34s/it] 60it [01:20, 1.34s/it] 61it [01:22, 1.34s/it] 62it [01:23, 1.34s/it] 63it [01:24, 1.35s/it] 64it [01:26, 1.34s/it] 65it [01:27, 1.35s/it] 66it [01:28, 1.35s/it] 67it [01:30, 1.35s/it] 68it [01:31, 1.35s/it] 69it [01:32, 1.35s/it] 70it [01:34, 1.35s/it] 71it [01:35, 1.35s/it] 72it [01:36, 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[21:13, 1.33s/it] 944it [21:14, 1.32s/it] 945it [21:16, 1.32s/it] 946it [21:17, 1.32s/it] 947it [21:18, 1.33s/it] 948it [21:20, 1.33s/it] 949it [21:21, 1.33s/it] 950it [21:22, 1.32s/it] 951it [21:24, 1.32s/it] 952it [21:25, 1.32s/it] 953it [21:26, 1.32s/it] 954it [21:28, 1.33s/it] 955it [21:29, 1.34s/it] 956it [21:30, 1.34s/it] 957it [21:32, 1.34s/it] 958it [21:33, 1.34s/it] 959it [21:34, 1.35s/it] 960it [21:36, 1.35s/it] 961it [21:37, 1.34s/it] 962it [21:38, 1.34s/it] 963it [21:40, 1.34s/it] 964it [21:41, 1.34s/it] 965it [21:42, 1.33s/it] 966it [21:44, 1.33s/it] 967it [21:45, 1.33s/it] 968it [21:46, 1.33s/it] 969it [21:48, 1.33s/it] 970it [21:49, 1.33s/it] 971it [21:50, 1.33s/it] 972it [21:52, 1.33s/it] 973it [21:53, 1.33s/it] 974it [21:54, 1.32s/it] 975it [21:55, 1.31s/it] 976it [21:57, 1.30s/it] 977it [21:58, 1.30s/it] 978it [21:59, 1.29s/it] 979it [22:01, 1.29s/it] 980it [22:02, 1.28s/it] 981it [22:03, 1.28s/it] 982it [22:04, 1.29s/it] 983it [22:06, 1.28s/it] 984it [22:07, 1.27s/it] 985it [22:08, 1.25s/it] 986it [22:09, 1.26s/it] 987it [22:11, 1.27s/it] 988it [22:12, 1.28s/it] 989it [22:13, 1.28s/it] 990it [22:15, 1.27s/it] 991it [22:16, 1.28s/it] 992it [22:17, 1.28s/it] 993it [22:18, 1.28s/it] 994it [22:20, 1.29s/it] 995it [22:21, 1.28s/it] 996it [22:22, 1.28s/it] 997it [22:24, 1.28s/it] 998it [22:25, 1.28s/it] 999it [22:26, 1.28s/it] 1000it [22:27, 1.27s/it] 1000it [22:27, 1.35s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:13.475765 +⏰ Completed process in 0:22:28.447542 diff --git a/chunked/d4-dock_038.csv.gz b/chunked/d4-dock_038.csv.gz index 3f075fb401a8eb770191bd7e5a4253e18365cd3c..0c296263eadfb258e98695b5c35369c441523ffc 100644 --- a/chunked/d4-dock_038.csv.gz +++ b/chunked/d4-dock_038.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:e7c6e1b540eac3258a25cd2f9c7f7a2ebd706086595316baadb58d1a2758f728 -size 34982880 +oid sha256:e1e5b474446acb274b33a152cd6c7957bd6f1fef1b782bc4a7dd430235170954 +size 34982887 diff --git a/chunked/d4-dock_038.log b/chunked/d4-dock_038.log index a7fcc19919aebc7b6daa294433f4835b4c83e039..bd94aaddf04bdb640d83623216a4c21d07a7e571 100644 --- a/chunked/d4-dock_038.log +++ b/chunked/d4-dock_038.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.33s/it] 2it [00:02, 1.31s/it] 3it [00:03, 1.31s/it] 4it [00:05, 1.30s/it] 5it [00:06, 1.30s/it] 6it [00:07, 1.30s/it] 7it [00:09, 1.30s/it] 8it [00:10, 1.30s/it] 9it [00:11, 1.30s/it] 10it [00:13, 1.30s/it] 11it [00:14, 1.31s/it] 12it [00:15, 1.30s/it] 13it [00:16, 1.30s/it] 14it [00:18, 1.30s/it] 15it [00:19, 1.29s/it] 16it [00:20, 1.29s/it] 17it [00:22, 1.28s/it] 18it [00:23, 1.29s/it] 19it [00:24, 1.30s/it] 20it [00:25, 1.30s/it] 21it [00:27, 1.30s/it] 22it [00:28, 1.29s/it] 23it [00:29, 1.29s/it] 24it [00:31, 1.30s/it] 25it [00:32, 1.31s/it] 26it [00:33, 1.31s/it] 27it [00:35, 1.31s/it] 28it [00:36, 1.31s/it] 29it [00:37, 1.30s/it] 30it [00:38, 1.30s/it] 31it [00:40, 1.29s/it] 32it [00:41, 1.29s/it] 33it [00:42, 1.29s/it] 34it [00:44, 1.30s/it] 35it [00:45, 1.30s/it] 36it [00:46, 1.30s/it] 37it [00:48, 1.30s/it] 38it [00:49, 1.30s/it] 39it [00:50, 1.30s/it] 40it [00:51, 1.29s/it] 41it [00:53, 1.29s/it] 42it [00:54, 1.29s/it] 43it [00:55, 1.29s/it] 44it [00:57, 1.29s/it] 45it [00:58, 1.29s/it] 46it [00:59, 1.30s/it] 47it [01:01, 1.29s/it] 48it [01:02, 1.30s/it] 49it [01:03, 1.30s/it] 50it [01:04, 1.30s/it] 51it [01:06, 1.30s/it] 52it [01:07, 1.30s/it] 53it [01:08, 1.30s/it] 54it [01:10, 1.30s/it] 55it [01:11, 1.30s/it] 56it [01:12, 1.30s/it] 57it [01:14, 1.30s/it] 58it [01:15, 1.30s/it] 59it [01:16, 1.30s/it] 60it [01:17, 1.30s/it] 61it [01:19, 1.30s/it] 62it [01:20, 1.29s/it] 63it [01:21, 1.30s/it] 64it [01:23, 1.30s/it] 65it [01:24, 1.30s/it] 66it [01:25, 1.30s/it] 67it [01:26, 1.30s/it] 68it [01:28, 1.30s/it] 69it [01:29, 1.30s/it] 70it [01:30, 1.30s/it] 71it [01:32, 1.30s/it] 72it [01:33, 1.30s/it] 73it [01:34, 1.30s/it] 74it [01:36, 1.30s/it] 75it [01:37, 1.29s/it] 76it [01:38, 1.29s/it] 77it [01:39, 1.29s/it] 78it [01:41, 1.29s/it] 79it [01:42, 1.29s/it] 80it [01:43, 1.29s/it] 81it [01:45, 1.29s/it] 82it [01:46, 1.30s/it] 83it [01:47, 1.31s/it] 84it [01:49, 1.31s/it] 85it [01:50, 1.31s/it] 86it [01:51, 1.31s/it] 87it [01:52, 1.32s/it] 88it [01:54, 1.31s/it] 89it [01:55, 1.31s/it] 90it [01:56, 1.31s/it] 91it [01:58, 1.30s/it] 92it [01:59, 1.30s/it] 93it [02:00, 1.30s/it] 94it [02:02, 1.30s/it] 95it [02:03, 1.30s/it] 96it [02:04, 1.30s/it] 97it [02:05, 1.30s/it] 98it [02:07, 1.30s/it] 99it [02:08, 1.31s/it] 100it [02:09, 1.31s/it] 101it [02:11, 1.31s/it] 102it [02:12, 1.31s/it] 103it [02:13, 1.31s/it] 104it [02:15, 1.31s/it] 105it [02:16, 1.31s/it] 106it [02:17, 1.31s/it] 107it [02:19, 1.31s/it] 108it [02:20, 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[21:05, 1.41s/it] 938it [21:06, 1.42s/it] 939it [21:08, 1.41s/it] 940it [21:09, 1.42s/it] 941it [21:11, 1.41s/it] 942it [21:12, 1.41s/it] 943it [21:13, 1.41s/it] 944it [21:15, 1.41s/it] 945it [21:16, 1.41s/it] 946it [21:18, 1.41s/it] 947it [21:19, 1.41s/it] 948it [21:20, 1.41s/it] 949it [21:22, 1.41s/it] 950it [21:23, 1.43s/it] 951it [21:25, 1.43s/it] 952it [21:26, 1.42s/it] 953it [21:28, 1.42s/it] 954it [21:29, 1.42s/it] 955it [21:30, 1.42s/it] 956it [21:32, 1.42s/it] 957it [21:33, 1.41s/it] 958it [21:35, 1.41s/it] 959it [21:36, 1.40s/it] 960it [21:37, 1.41s/it] 961it [21:39, 1.40s/it] 962it [21:40, 1.40s/it] 963it [21:42, 1.40s/it] 964it [21:43, 1.41s/it] 965it [21:44, 1.40s/it] 966it [21:46, 1.40s/it] 967it [21:47, 1.40s/it] 968it [21:49, 1.39s/it] 969it [21:50, 1.39s/it] 970it [21:51, 1.39s/it] 971it [21:53, 1.40s/it] 972it [21:54, 1.40s/it] 973it [21:56, 1.40s/it] 974it [21:57, 1.39s/it] 975it [21:58, 1.39s/it] 976it [22:00, 1.39s/it] 977it [22:01, 1.40s/it] 978it [22:03, 1.41s/it] 979it [22:04, 1.41s/it] 980it [22:05, 1.41s/it] 981it [22:07, 1.41s/it] 982it [22:08, 1.41s/it] 983it [22:10, 1.41s/it] 984it [22:11, 1.42s/it] 985it [22:13, 1.41s/it] 986it [22:14, 1.40s/it] 987it [22:15, 1.40s/it] 988it [22:17, 1.40s/it] 989it [22:18, 1.40s/it] 990it [22:19, 1.40s/it] 991it [22:21, 1.40s/it] 992it [22:22, 1.41s/it] 993it [22:24, 1.40s/it] 994it [22:25, 1.40s/it] 995it [22:26, 1.40s/it] 996it [22:28, 1.40s/it] 997it [22:29, 1.40s/it] 998it [22:31, 1.40s/it] 999it [22:32, 1.40s/it] 1000it [22:34, 1.40s/it] 1000it [22:34, 1.35s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:37.836263 +⏰ Completed process in 0:22:34.612124 diff --git a/chunked/d4-dock_039.csv.gz b/chunked/d4-dock_039.csv.gz index c101fcbd1b1d46d3e65909bd83686be0c56db899..fcf15f2cdbf871ce34d18ad06a53f2f6b0cce70c 100644 --- a/chunked/d4-dock_039.csv.gz +++ b/chunked/d4-dock_039.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:40c0de18d6e91c23b8ebc54979d94d19802563c26f7dca44536e560fe0c87667 -size 34266017 +oid sha256:31bf142b984b8e9419423140b0dc63f1137623092f51843877658757ca234266 +size 34265986 diff --git a/chunked/d4-dock_039.log b/chunked/d4-dock_039.log index db5e7f8fddf8610b105b8a63f46575a3e2047fb7..31b6542425aed01502fa548e83499e36e91592d3 100644 --- a/chunked/d4-dock_039.log +++ b/chunked/d4-dock_039.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.44s/it] 2it [00:02, 1.43s/it] 3it [00:04, 1.43s/it] 4it [00:05, 1.43s/it] 5it [00:07, 1.43s/it] 6it [00:08, 1.43s/it] 7it [00:10, 1.43s/it] 8it [00:11, 1.44s/it] 9it [00:12, 1.43s/it] 10it [00:14, 1.43s/it] 11it [00:15, 1.43s/it] 12it [00:17, 1.43s/it] 13it [00:18, 1.43s/it] 14it [00:20, 1.43s/it] 15it [00:21, 1.43s/it] 16it [00:22, 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1.38s/it] 973it [21:41, 1.38s/it] 974it [21:43, 1.38s/it] 975it [21:44, 1.38s/it] 976it [21:45, 1.38s/it] 977it [21:47, 1.38s/it] 978it [21:48, 1.38s/it] 979it [21:50, 1.38s/it] 980it [21:51, 1.37s/it] 981it [21:52, 1.37s/it] 982it [21:54, 1.37s/it] 983it [21:55, 1.37s/it] 984it [21:56, 1.36s/it] 985it [21:58, 1.37s/it] 986it [21:59, 1.38s/it] 987it [22:01, 1.38s/it] 988it [22:02, 1.38s/it] 989it [22:03, 1.38s/it] 990it [22:05, 1.38s/it] 991it [22:06, 1.38s/it] 992it [22:08, 1.39s/it] 993it [22:09, 1.39s/it] 994it [22:10, 1.39s/it] 995it [22:12, 1.39s/it] 996it [22:13, 1.39s/it] 997it [22:14, 1.39s/it] 998it [22:16, 1.40s/it] 999it [22:17, 1.40s/it] 1000it [22:19, 1.40s/it] 1000it [22:19, 1.34s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:24.253302 +⏰ Completed process in 0:22:19.739083 diff --git a/chunked/d4-dock_040.csv.gz b/chunked/d4-dock_040.csv.gz index 5ad977fe8e5cadc581ea8b5a2f52d7cb584a3184..019977cfd9ef843bd7a1aa0362af93949a6e36fa 100644 --- a/chunked/d4-dock_040.csv.gz +++ b/chunked/d4-dock_040.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:8132e9b0fea3c16707ad8870a1440d7b5aeedfc7dce52442660de848bf8f14b2 -size 34082686 +oid sha256:704f3011e5ac001a6ec947186ba6724f2304de9184606c8bbd9b91a1343f9f55 +size 34082645 diff --git a/chunked/d4-dock_040.log b/chunked/d4-dock_040.log index e3bf28862882d879ac8613147fe5fb639599efbf..230c1c14f466ed0079d3b385f3a7187cf316a9cd 100644 --- a/chunked/d4-dock_040.log +++ b/chunked/d4-dock_040.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.34s/it] 2it [00:02, 1.34s/it] 3it [00:03, 1.33s/it] 4it [00:05, 1.33s/it] 5it [00:06, 1.32s/it] 6it [00:07, 1.32s/it] 7it [00:09, 1.32s/it] 8it [00:10, 1.31s/it] 9it [00:11, 1.32s/it] 10it [00:13, 1.32s/it] 11it [00:14, 1.32s/it] 12it [00:15, 1.32s/it] 13it [00:17, 1.32s/it] 14it [00:18, 1.31s/it] 15it [00:19, 1.31s/it] 16it [00:21, 1.31s/it] 17it [00:22, 1.30s/it] 18it [00:23, 1.31s/it] 19it [00:25, 1.31s/it] 20it [00:26, 1.31s/it] 21it [00:27, 1.31s/it] 22it [00:28, 1.31s/it] 23it [00:30, 1.31s/it] 24it [00:31, 1.31s/it] 25it [00:32, 1.31s/it] 26it [00:34, 1.30s/it] 27it [00:35, 1.31s/it] 28it [00:36, 1.31s/it] 29it [00:38, 1.31s/it] 30it [00:39, 1.31s/it] 31it [00:40, 1.31s/it] 32it [00:42, 1.31s/it] 33it [00:43, 1.31s/it] 34it [00:44, 1.31s/it] 35it [00:45, 1.31s/it] 36it [00:47, 1.31s/it] 37it [00:48, 1.32s/it] 38it [00:49, 1.33s/it] 39it [00:51, 1.33s/it] 40it [00:52, 1.33s/it] 41it [00:53, 1.33s/it] 42it [00:55, 1.32s/it] 43it [00:56, 1.32s/it] 44it [00:57, 1.32s/it] 45it [00:59, 1.32s/it] 46it [01:00, 1.32s/it] 47it [01:01, 1.32s/it] 48it [01:03, 1.32s/it] 49it [01:04, 1.34s/it] 50it [01:05, 1.35s/it] 51it [01:07, 1.37s/it] 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1.22s/it] 800it [17:52, 1.22s/it] 801it [17:53, 1.22s/it] 802it [17:54, 1.21s/it] 803it [17:55, 1.20s/it] 804it [17:57, 1.20s/it] 805it [17:58, 1.20s/it] 806it [17:59, 1.20s/it] 807it [18:00, 1.20s/it] 808it [18:01, 1.21s/it] 809it [18:03, 1.22s/it] 810it [18:04, 1.22s/it] 811it [18:05, 1.22s/it] 812it [18:06, 1.21s/it] 813it [18:08, 1.21s/it] 814it [18:09, 1.21s/it] 815it [18:10, 1.21s/it] 816it [18:11, 1.21s/it] 817it [18:12, 1.22s/it] 818it [18:14, 1.22s/it] 819it [18:15, 1.21s/it] 820it [18:16, 1.20s/it] 821it [18:17, 1.20s/it] 822it [18:18, 1.21s/it] 823it [18:20, 1.21s/it] 824it [18:21, 1.21s/it] 825it [18:22, 1.22s/it] 826it [18:23, 1.22s/it] 827it [18:25, 1.24s/it] 828it [18:26, 1.23s/it] 829it [18:27, 1.23s/it] 830it [18:28, 1.22s/it] 831it [18:29, 1.22s/it] 832it [18:31, 1.22s/it] 833it [18:32, 1.22s/it] 834it [18:33, 1.21s/it] 835it [18:34, 1.21s/it] 836it [18:36, 1.21s/it] 837it [18:37, 1.22s/it] 838it [18:38, 1.22s/it] 839it [18:39, 1.23s/it] 840it [18:40, 1.23s/it] 841it [18:42, 1.23s/it] 842it [18:43, 1.23s/it] 843it [18:44, 1.23s/it] 844it [18:45, 1.23s/it] 845it [18:47, 1.23s/it] 846it [18:48, 1.23s/it] 847it [18:49, 1.22s/it] 848it [18:50, 1.22s/it] 849it [18:51, 1.22s/it] 850it [18:53, 1.22s/it] 851it [18:54, 1.23s/it] 852it [18:55, 1.22s/it] 853it [18:56, 1.23s/it] 854it [18:58, 1.23s/it] 855it [18:59, 1.23s/it] 856it [19:00, 1.23s/it] 857it [19:01, 1.23s/it] 858it [19:03, 1.23s/it] 859it [19:04, 1.22s/it] 860it [19:05, 1.22s/it] 861it [19:06, 1.22s/it] 862it [19:07, 1.21s/it] 863it [19:09, 1.21s/it] 864it [19:10, 1.21s/it] 865it [19:11, 1.22s/it] 866it [19:12, 1.22s/it] 867it [19:13, 1.23s/it] 868it [19:15, 1.23s/it] 869it [19:16, 1.23s/it] 870it [19:17, 1.23s/it] 871it [19:18, 1.23s/it] 872it [19:20, 1.23s/it] 873it [19:21, 1.23s/it] 874it [19:22, 1.23s/it] 875it [19:23, 1.23s/it] 876it [19:25, 1.23s/it] 877it [19:26, 1.23s/it] 878it [19:27, 1.23s/it] 879it [19:28, 1.23s/it] 880it [19:29, 1.23s/it] 881it [19:31, 1.23s/it] 882it [19:32, 1.23s/it] 883it [19:33, 1.24s/it] 884it [19:34, 1.24s/it] 885it [19:36, 1.23s/it] 886it [19:37, 1.23s/it] 887it [19:38, 1.23s/it] 888it [19:39, 1.23s/it] 889it [19:41, 1.23s/it] 890it [19:42, 1.23s/it] 891it [19:43, 1.23s/it] 892it [19:44, 1.23s/it] 893it [19:45, 1.23s/it] 894it [19:47, 1.22s/it] 895it [19:48, 1.22s/it] 896it [19:49, 1.22s/it] 897it [19:50, 1.22s/it] 898it [19:52, 1.22s/it] 899it [19:53, 1.22s/it] 900it [19:54, 1.23s/it] 901it [19:55, 1.22s/it] 902it [19:56, 1.22s/it] 903it [19:58, 1.22s/it] 904it [19:59, 1.22s/it] 905it [20:00, 1.23s/it] 906it [20:01, 1.23s/it] 907it [20:03, 1.23s/it] 908it [20:04, 1.23s/it] 909it [20:05, 1.24s/it] 910it [20:06, 1.24s/it] 911it [20:08, 1.24s/it] 912it [20:09, 1.24s/it] 913it [20:10, 1.23s/it] 914it [20:11, 1.23s/it] 915it [20:13, 1.23s/it] 916it [20:14, 1.23s/it] 917it [20:15, 1.23s/it] 918it [20:16, 1.23s/it] 919it [20:17, 1.23s/it] 920it [20:19, 1.22s/it] 921it [20:20, 1.22s/it] 922it [20:21, 1.23s/it] 923it [20:22, 1.24s/it] 924it [20:24, 1.24s/it] 925it [20:25, 1.23s/it] 926it [20:26, 1.24s/it] 927it [20:27, 1.24s/it] 928it [20:29, 1.24s/it] 929it [20:30, 1.24s/it] 930it [20:31, 1.24s/it] 931it [20:32, 1.25s/it] 932it [20:34, 1.24s/it] 933it [20:35, 1.24s/it] 934it [20:36, 1.24s/it] 935it [20:37, 1.24s/it] 936it [20:38, 1.25s/it] 937it [20:40, 1.25s/it] 938it [20:41, 1.25s/it] 939it [20:42, 1.24s/it] 940it [20:43, 1.24s/it] 941it [20:45, 1.24s/it] 942it [20:46, 1.23s/it] 943it [20:47, 1.23s/it] 944it [20:48, 1.23s/it] 945it [20:50, 1.23s/it] 946it [20:51, 1.23s/it] 947it [20:52, 1.23s/it] 948it [20:53, 1.23s/it] 949it [20:54, 1.23s/it] 950it [20:56, 1.22s/it] 951it [20:57, 1.23s/it] 952it [20:58, 1.23s/it] 953it [20:59, 1.23s/it] 954it [21:01, 1.23s/it] 955it [21:02, 1.24s/it] 956it [21:03, 1.24s/it] 957it [21:04, 1.24s/it] 958it [21:06, 1.23s/it] 959it [21:07, 1.23s/it] 960it [21:08, 1.23s/it] 961it [21:09, 1.23s/it] 962it [21:11, 1.23s/it] 963it [21:12, 1.23s/it] 964it [21:13, 1.23s/it] 965it [21:14, 1.23s/it] 966it [21:15, 1.23s/it] 967it [21:17, 1.23s/it] 968it [21:18, 1.23s/it] 969it [21:19, 1.22s/it] 970it [21:20, 1.22s/it] 971it [21:22, 1.23s/it] 972it [21:23, 1.22s/it] 973it [21:24, 1.22s/it] 974it [21:25, 1.23s/it] 975it [21:26, 1.23s/it] 976it [21:28, 1.22s/it] 977it [21:29, 1.22s/it] 978it [21:30, 1.22s/it] 979it [21:31, 1.23s/it] 980it [21:33, 1.23s/it] 981it [21:34, 1.23s/it] 982it [21:35, 1.23s/it] 983it [21:36, 1.23s/it] 984it [21:38, 1.23s/it] 985it [21:39, 1.23s/it] 986it [21:40, 1.23s/it] 987it [21:41, 1.23s/it] 988it [21:42, 1.23s/it] 989it [21:44, 1.23s/it] 990it [21:45, 1.23s/it] 991it [21:46, 1.23s/it] 992it [21:47, 1.23s/it] 993it [21:49, 1.23s/it] 994it [21:50, 1.23s/it] 995it [21:51, 1.23s/it] 996it [21:52, 1.23s/it] 997it [21:54, 1.24s/it] 998it [21:55, 1.24s/it] 999it [21:56, 1.23s/it] 1000it [21:57, 1.23s/it] 1000it [21:57, 1.32s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:09.882779 +⏰ Completed process in 0:21:58.292125 diff --git a/chunked/d4-dock_041.csv.gz b/chunked/d4-dock_041.csv.gz index a2bc75531ccfe6be108efd455850f622ee3c3cdb..13782fb5d0534aabff9aa9b7bd0a566b09b4d6ac 100644 --- a/chunked/d4-dock_041.csv.gz +++ b/chunked/d4-dock_041.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:474e08dca68fff6bfd7bcdd48890231561abb6cce4aeba5a926ff632bb82b228 -size 31963093 +oid sha256:910d12d95ccabfc2aa85fffb8916546d99bf072eb45216e8cd910739f932bf5f +size 31963121 diff --git a/chunked/d4-dock_041.log b/chunked/d4-dock_041.log index 870da106c74522908d6357eda6c232edd44e8855..9295769bc134199666585ec6b68441b05c81ab4a 100644 --- a/chunked/d4-dock_041.log +++ b/chunked/d4-dock_041.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.26s/it] 2it [00:02, 1.25s/it] 3it [00:03, 1.25s/it] 4it [00:04, 1.24s/it] 5it [00:06, 1.24s/it] 6it [00:07, 1.24s/it] 7it [00:08, 1.24s/it] 8it [00:09, 1.24s/it] 9it [00:11, 1.24s/it] 10it [00:12, 1.24s/it] 11it [00:13, 1.24s/it] 12it [00:14, 1.24s/it] 13it [00:16, 1.23s/it] 14it [00:17, 1.23s/it] 15it [00:18, 1.24s/it] 16it [00:19, 1.24s/it] 17it [00:21, 1.24s/it] 18it [00:22, 1.24s/it] 19it [00:23, 1.25s/it] 20it [00:24, 1.24s/it] 21it [00:26, 1.24s/it] 22it [00:27, 1.24s/it] 23it [00:28, 1.24s/it] 24it [00:29, 1.24s/it] 25it [00:31, 1.24s/it] 26it [00:32, 1.24s/it] 27it [00:33, 1.24s/it] 28it [00:34, 1.24s/it] 29it [00:35, 1.24s/it] 30it [00:37, 1.23s/it] 31it [00:38, 1.23s/it] 32it [00:39, 1.23s/it] 33it [00:40, 1.23s/it] 34it [00:42, 1.23s/it] 35it [00:43, 1.24s/it] 36it [00:44, 1.23s/it] 37it [00:45, 1.23s/it] 38it [00:47, 1.23s/it] 39it [00:48, 1.23s/it] 40it [00:49, 1.23s/it] 41it [00:50, 1.23s/it] 42it [00:51, 1.23s/it] 43it [00:53, 1.23s/it] 44it [00:54, 1.24s/it] 45it [00:55, 1.24s/it] 46it [00:56, 1.23s/it] 47it [00:58, 1.23s/it] 48it [00:59, 1.23s/it] 49it [01:00, 1.24s/it] 50it [01:01, 1.24s/it] 51it [01:03, 1.24s/it] 52it [01:04, 1.24s/it] 53it [01:05, 1.24s/it] 54it [01:06, 1.24s/it] 55it [01:08, 1.24s/it] 56it [01:09, 1.24s/it] 57it [01:10, 1.24s/it] 58it [01:11, 1.24s/it] 59it [01:13, 1.25s/it] 60it [01:14, 1.25s/it] 61it [01:15, 1.24s/it] 62it [01:16, 1.24s/it] 63it [01:18, 1.25s/it] 64it [01:19, 1.25s/it] 65it [01:20, 1.25s/it] 66it [01:21, 1.24s/it] 67it [01:22, 1.24s/it] 68it [01:24, 1.25s/it] 69it [01:25, 1.25s/it] 70it [01:26, 1.25s/it] 71it [01:27, 1.25s/it] 72it [01:29, 1.25s/it] 73it [01:30, 1.25s/it] 74it [01:31, 1.25s/it] 75it [01:32, 1.24s/it] 76it [01:34, 1.24s/it] 77it [01:35, 1.24s/it] 78it [01:36, 1.24s/it] 79it [01:37, 1.24s/it] 80it [01:39, 1.24s/it] 81it [01:40, 1.24s/it] 82it [01:41, 1.24s/it] 83it [01:42, 1.24s/it] 84it [01:44, 1.24s/it] 85it [01:45, 1.25s/it] 86it [01:46, 1.25s/it] 87it [01:47, 1.25s/it] 88it [01:49, 1.25s/it] 89it [01:50, 1.26s/it] 90it [01:51, 1.25s/it] 91it [01:52, 1.25s/it] 92it [01:54, 1.26s/it] 93it [01:55, 1.26s/it] 94it [01:56, 1.26s/it] 95it [01:57, 1.26s/it] 96it [01:59, 1.26s/it] 97it [02:00, 1.25s/it] 98it [02:01, 1.25s/it] 99it [02:02, 1.25s/it] 100it [02:04, 1.25s/it] 101it [02:05, 1.25s/it] 102it [02:06, 1.24s/it] 103it [02:07, 1.24s/it] 104it [02:09, 1.24s/it] 105it [02:10, 1.24s/it] 106it [02:11, 1.24s/it] 107it [02:12, 1.24s/it] 108it [02:14, 1.24s/it] 109it [02:15, 1.24s/it] 110it [02:16, 1.25s/it] 111it [02:17, 1.24s/it] 112it [02:19, 1.24s/it] 113it [02:20, 1.25s/it] 114it [02:21, 1.25s/it] 115it [02:22, 1.25s/it] 116it [02:24, 1.25s/it] 117it [02:25, 1.25s/it] 118it [02:26, 1.25s/it] 119it [02:27, 1.24s/it] 120it [02:29, 1.24s/it] 121it [02:30, 1.24s/it] 122it [02:31, 1.24s/it] 123it [02:32, 1.24s/it] 124it [02:33, 1.24s/it] 125it [02:35, 1.24s/it] 126it [02:36, 1.25s/it] 127it [02:37, 1.25s/it] 128it [02:38, 1.25s/it] 129it [02:40, 1.24s/it] 130it [02:41, 1.24s/it] 131it [02:42, 1.24s/it] 132it [02:43, 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1.26s/it] 754it [15:54, 1.26s/it] 755it [15:55, 1.26s/it] 756it [15:57, 1.26s/it] 757it [15:58, 1.26s/it] 758it [15:59, 1.26s/it] 759it [16:00, 1.26s/it] 760it [16:02, 1.26s/it] 761it [16:03, 1.26s/it] 762it [16:04, 1.25s/it] 763it [16:05, 1.25s/it] 764it [16:07, 1.26s/it] 765it [16:08, 1.26s/it] 766it [16:09, 1.26s/it] 767it [16:10, 1.26s/it] 768it [16:12, 1.26s/it] 769it [16:13, 1.26s/it] 770it [16:14, 1.25s/it] 771it [16:15, 1.25s/it] 772it [16:17, 1.25s/it] 773it [16:18, 1.26s/it] 774it [16:19, 1.26s/it] 775it [16:20, 1.26s/it] 776it [16:22, 1.26s/it] 777it [16:23, 1.25s/it] 778it [16:24, 1.25s/it] 779it [16:25, 1.26s/it] 780it [16:27, 1.25s/it] 781it [16:28, 1.26s/it] 782it [16:29, 1.26s/it] 783it [16:30, 1.26s/it] 784it [16:32, 1.26s/it] 785it [16:33, 1.25s/it] 786it [16:34, 1.26s/it] 787it [16:35, 1.26s/it] 788it [16:37, 1.26s/it] 789it [16:38, 1.26s/it] 790it [16:39, 1.26s/it] 791it [16:41, 1.26s/it] 792it [16:42, 1.26s/it] 793it [16:43, 1.26s/it] 794it [16:44, 1.26s/it] 795it [16:46, 1.26s/it] 796it [16:47, 1.25s/it] 797it [16:48, 1.26s/it] 798it [16:49, 1.26s/it] 799it [16:51, 1.26s/it] 800it [16:52, 1.26s/it] 801it [16:53, 1.26s/it] 802it [16:54, 1.26s/it] 803it [16:56, 1.26s/it] 804it [16:57, 1.26s/it] 805it [16:58, 1.26s/it] 806it [16:59, 1.26s/it] 807it [17:01, 1.26s/it] 808it [17:02, 1.25s/it] 809it [17:03, 1.25s/it] 810it [17:04, 1.25s/it] 811it [17:06, 1.25s/it] 812it [17:07, 1.25s/it] 813it [17:08, 1.25s/it] 814it [17:09, 1.26s/it] 815it [17:11, 1.26s/it] 816it [17:12, 1.26s/it] 817it [17:13, 1.26s/it] 818it [17:14, 1.26s/it] 819it [17:16, 1.26s/it] 820it [17:17, 1.26s/it] 821it [17:18, 1.26s/it] 822it [17:19, 1.26s/it] 823it [17:21, 1.26s/it] 824it [17:22, 1.26s/it] 825it [17:23, 1.26s/it] 826it [17:25, 1.26s/it] 827it [17:26, 1.27s/it] 828it [17:27, 1.27s/it] 829it [17:28, 1.27s/it] 830it [17:30, 1.27s/it] 831it [17:31, 1.27s/it] 832it [17:32, 1.27s/it] 833it [17:33, 1.27s/it] 834it [17:35, 1.27s/it] 835it [17:36, 1.27s/it] 836it [17:37, 1.26s/it] 837it [17:38, 1.26s/it] 838it [17:40, 1.25s/it] 839it [17:41, 1.26s/it] 840it [17:42, 1.26s/it] 841it [17:43, 1.26s/it] 842it [17:45, 1.26s/it] 843it [17:46, 1.26s/it] 844it [17:47, 1.25s/it] 845it [17:48, 1.25s/it] 846it [17:50, 1.25s/it] 847it [17:51, 1.25s/it] 848it [17:52, 1.25s/it] 849it [17:54, 1.25s/it] 850it [17:55, 1.26s/it] 851it [17:56, 1.26s/it] 852it [17:57, 1.26s/it] 853it [17:59, 1.26s/it] 854it [18:00, 1.26s/it] 855it [18:01, 1.26s/it] 856it [18:02, 1.26s/it] 857it [18:04, 1.26s/it] 858it [18:05, 1.26s/it] 859it [18:06, 1.26s/it] 860it [18:07, 1.26s/it] 861it [18:09, 1.26s/it] 862it [18:10, 1.26s/it] 863it [18:11, 1.26s/it] 864it [18:12, 1.26s/it] 865it [18:14, 1.26s/it] 866it [18:15, 1.26s/it] 867it [18:16, 1.27s/it] 868it [18:17, 1.26s/it] 869it [18:19, 1.26s/it] 870it [18:20, 1.26s/it] 871it [18:21, 1.26s/it] 872it [18:22, 1.26s/it] 873it [18:24, 1.25s/it] 874it [18:25, 1.25s/it] 875it [18:26, 1.25s/it] 876it [18:27, 1.26s/it] 877it [18:29, 1.26s/it] 878it [18:30, 1.26s/it] 879it [18:31, 1.26s/it] 880it [18:33, 1.26s/it] 881it [18:34, 1.26s/it] 882it [18:35, 1.25s/it] 883it [18:36, 1.26s/it] 884it [18:37, 1.22s/it] 885it [18:39, 1.18s/it] 886it [18:40, 1.14s/it] 887it [18:41, 1.11s/it] 888it [18:42, 1.10s/it] 889it [18:43, 1.11s/it] 890it [18:44, 1.11s/it] 891it [18:45, 1.12s/it] 892it [18:46, 1.12s/it] 893it [18:47, 1.12s/it] 894it [18:48, 1.12s/it] 895it [18:50, 1.12s/it] 896it [18:51, 1.12s/it] 897it [18:52, 1.12s/it] 898it [18:53, 1.12s/it] 899it [18:54, 1.09s/it] 900it [18:55, 1.06s/it] 901it [18:56, 1.06s/it] 902it [18:57, 1.08s/it] 903it [18:58, 1.09s/it] 904it [18:59, 1.10s/it] 905it [19:00, 1.10s/it] 906it [19:02, 1.10s/it] 907it [19:03, 1.11s/it] 908it [19:04, 1.12s/it] 909it [19:05, 1.13s/it] 910it [19:06, 1.14s/it] 911it [19:07, 1.15s/it] 912it [19:08, 1.16s/it] 913it [19:10, 1.16s/it] 914it [19:11, 1.16s/it] 915it [19:12, 1.16s/it] 916it [19:13, 1.16s/it] 917it [19:14, 1.16s/it] 918it [19:15, 1.16s/it] 919it [19:17, 1.17s/it] 920it [19:18, 1.17s/it] 921it [19:19, 1.17s/it] 922it [19:20, 1.17s/it] 923it [19:21, 1.18s/it] 924it [19:23, 1.20s/it] 925it [19:24, 1.21s/it] 926it [19:25, 1.21s/it] 927it [19:26, 1.22s/it] 928it [19:27, 1.22s/it] 929it [19:29, 1.22s/it] 930it [19:30, 1.22s/it] 931it [19:31, 1.22s/it] 932it [19:32, 1.23s/it] 933it [19:34, 1.24s/it] 934it [19:35, 1.24s/it] 935it [19:36, 1.25s/it] 936it [19:37, 1.25s/it] 937it [19:39, 1.25s/it] 938it [19:40, 1.25s/it] 939it [19:41, 1.25s/it] 940it [19:42, 1.26s/it] 941it [19:44, 1.26s/it] 942it [19:45, 1.27s/it] 943it [19:46, 1.28s/it] 944it [19:48, 1.30s/it] 945it [19:49, 1.31s/it] 946it [19:50, 1.32s/it] 947it [19:52, 1.33s/it] 948it [19:53, 1.33s/it] 949it [19:54, 1.33s/it] 950it [19:56, 1.33s/it] 951it [19:57, 1.34s/it] 952it [19:58, 1.34s/it] 953it [20:00, 1.35s/it] 954it [20:01, 1.36s/it] 955it [20:03, 1.37s/it] 956it [20:04, 1.37s/it] 957it [20:05, 1.38s/it] 958it [20:07, 1.40s/it] 959it [20:08, 1.40s/it] 960it [20:10, 1.39s/it] 961it [20:11, 1.38s/it] 962it [20:12, 1.37s/it] 963it [20:14, 1.35s/it] 964it [20:15, 1.34s/it] 965it [20:16, 1.33s/it] 966it [20:17, 1.33s/it] 967it [20:19, 1.32s/it] 968it [20:20, 1.32s/it] 969it [20:21, 1.31s/it] 970it [20:23, 1.31s/it] 971it [20:24, 1.31s/it] 972it [20:25, 1.31s/it] 973it [20:27, 1.31s/it] 974it [20:28, 1.30s/it] 975it [20:29, 1.31s/it] 976it [20:31, 1.31s/it] 977it [20:32, 1.31s/it] 978it [20:33, 1.31s/it] 979it [20:34, 1.32s/it] 980it [20:36, 1.32s/it] 981it [20:37, 1.32s/it] 982it [20:38, 1.32s/it] 983it [20:40, 1.31s/it] 984it [20:41, 1.32s/it] 985it [20:42, 1.31s/it] 986it [20:44, 1.31s/it] 987it [20:45, 1.31s/it] 988it [20:46, 1.31s/it] 989it [20:48, 1.30s/it] 990it [20:49, 1.31s/it] 991it [20:50, 1.31s/it] 992it [20:52, 1.31s/it] 993it [20:53, 1.31s/it] 994it [20:54, 1.31s/it] 995it [20:55, 1.31s/it] 996it [20:57, 1.30s/it] 997it [20:58, 1.31s/it] 998it [20:59, 1.30s/it] 999it [21:01, 1.30s/it] 1000it [21:02, 1.30s/it] 1000it [21:02, 1.26s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:20:37.199566 +⏰ Completed process in 0:21:02.952702 diff --git a/chunked/d4-dock_042.csv.gz b/chunked/d4-dock_042.csv.gz index ab7a128561c60ac724c0be6510f7e1272c85b78e..dd2c593f5f1d15eabdeffbdb0a5b3930b35a73f8 100644 --- a/chunked/d4-dock_042.csv.gz +++ b/chunked/d4-dock_042.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:0bcf3e00d8b38cb87c7f4adc95d79e54d496ff3a96e7e2e84d720a89978d9bca -size 34461220 +oid sha256:34705e2933ae25230e14e3041d0e76a3f746730f60367af1054d6810deecaddc +size 34461225 diff --git a/chunked/d4-dock_042.log b/chunked/d4-dock_042.log index abe36030b293732f480c5d673031de572c904323..22a22fc95e3ccdfb6d55ba3ecfde444b8143a21b 100644 --- a/chunked/d4-dock_042.log +++ b/chunked/d4-dock_042.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.29s/it] 2it [00:02, 1.31s/it] 3it [00:03, 1.32s/it] 4it [00:05, 1.32s/it] 5it [00:06, 1.33s/it] 6it [00:07, 1.32s/it] 7it [00:09, 1.32s/it] 8it [00:10, 1.32s/it] 9it [00:11, 1.32s/it] 10it [00:13, 1.31s/it] 11it [00:14, 1.31s/it] 12it [00:15, 1.32s/it] 13it [00:17, 1.31s/it] 14it [00:18, 1.31s/it] 15it [00:19, 1.31s/it] 16it [00:21, 1.31s/it] 17it [00:22, 1.31s/it] 18it [00:23, 1.31s/it] 19it [00:25, 1.32s/it] 20it [00:26, 1.32s/it] 21it [00:27, 1.31s/it] 22it [00:28, 1.31s/it] 23it [00:30, 1.32s/it] 24it [00:31, 1.31s/it] 25it [00:32, 1.31s/it] 26it [00:34, 1.31s/it] 27it [00:35, 1.31s/it] 28it [00:36, 1.31s/it] 29it [00:38, 1.31s/it] 30it [00:39, 1.31s/it] 31it [00:40, 1.31s/it] 32it [00:42, 1.31s/it] 33it [00:43, 1.31s/it] 34it [00:44, 1.30s/it] 35it [00:45, 1.30s/it] 36it [00:47, 1.31s/it] 37it [00:48, 1.31s/it] 38it [00:49, 1.31s/it] 39it [00:51, 1.31s/it] 40it [00:52, 1.31s/it] 41it [00:53, 1.31s/it] 42it [00:55, 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1.29s/it] 874it [18:58, 1.28s/it] 875it [19:00, 1.28s/it] 876it [19:01, 1.28s/it] 877it [19:02, 1.27s/it] 878it [19:03, 1.27s/it] 879it [19:05, 1.26s/it] 880it [19:06, 1.26s/it] 881it [19:07, 1.26s/it] 882it [19:08, 1.28s/it] 883it [19:10, 1.29s/it] 884it [19:11, 1.29s/it] 885it [19:12, 1.30s/it] 886it [19:14, 1.30s/it] 887it [19:15, 1.31s/it] 888it [19:16, 1.31s/it] 889it [19:18, 1.31s/it] 890it [19:19, 1.30s/it] 891it [19:20, 1.29s/it] 892it [19:21, 1.29s/it] 893it [19:23, 1.28s/it] 894it [19:24, 1.28s/it] 895it [19:25, 1.29s/it] 896it [19:27, 1.29s/it] 897it [19:28, 1.30s/it] 898it [19:29, 1.29s/it] 899it [19:30, 1.29s/it] 900it [19:32, 1.30s/it] 901it [19:33, 1.30s/it] 902it [19:34, 1.31s/it] 903it [19:36, 1.32s/it] 904it [19:37, 1.32s/it] 905it [19:38, 1.32s/it] 906it [19:40, 1.31s/it] 907it [19:41, 1.30s/it] 908it [19:42, 1.30s/it] 909it [19:44, 1.29s/it] 910it [19:45, 1.28s/it] 911it [19:46, 1.27s/it] 912it [19:47, 1.26s/it] 913it [19:49, 1.26s/it] 914it [19:50, 1.26s/it] 915it [19:51, 1.27s/it] 916it [19:52, 1.28s/it] 917it [19:54, 1.28s/it] 918it [19:55, 1.29s/it] 919it [19:56, 1.29s/it] 920it [19:58, 1.30s/it] 921it [19:59, 1.31s/it] 922it [20:00, 1.31s/it] 923it [20:02, 1.31s/it] 924it [20:03, 1.31s/it] 925it [20:04, 1.31s/it] 926it [20:06, 1.31s/it] 927it [20:07, 1.31s/it] 928it [20:08, 1.32s/it] 929it [20:09, 1.32s/it] 930it [20:11, 1.32s/it] 931it [20:12, 1.31s/it] 932it [20:13, 1.31s/it] 933it [20:15, 1.31s/it] 934it [20:16, 1.31s/it] 935it [20:17, 1.32s/it] 936it [20:19, 1.33s/it] 937it [20:20, 1.33s/it] 938it [20:21, 1.33s/it] 939it [20:23, 1.34s/it] 940it [20:24, 1.34s/it] 941it [20:25, 1.34s/it] 942it [20:27, 1.34s/it] 943it [20:28, 1.34s/it] 944it [20:29, 1.33s/it] 945it [20:31, 1.32s/it] 946it [20:32, 1.31s/it] 947it [20:33, 1.30s/it] 948it [20:35, 1.30s/it] 949it [20:36, 1.30s/it] 950it [20:37, 1.30s/it] 951it [20:38, 1.30s/it] 952it [20:40, 1.30s/it] 953it [20:41, 1.30s/it] 954it [20:42, 1.30s/it] 955it [20:44, 1.31s/it] 956it [20:45, 1.31s/it] 957it [20:46, 1.31s/it] 958it [20:48, 1.32s/it] 959it [20:49, 1.32s/it] 960it [20:50, 1.32s/it] 961it [20:52, 1.32s/it] 962it [20:53, 1.31s/it] 963it [20:54, 1.31s/it] 964it [20:56, 1.31s/it] 965it [20:57, 1.31s/it] 966it [20:58, 1.31s/it] 967it [20:59, 1.31s/it] 968it [21:01, 1.31s/it] 969it [21:02, 1.31s/it] 970it [21:03, 1.31s/it] 971it [21:05, 1.30s/it] 972it [21:06, 1.29s/it] 973it [21:07, 1.28s/it] 974it [21:08, 1.28s/it] 975it [21:10, 1.28s/it] 976it [21:11, 1.28s/it] 977it [21:12, 1.28s/it] 978it [21:14, 1.29s/it] 979it [21:15, 1.29s/it] 980it [21:16, 1.29s/it] 981it [21:18, 1.29s/it] 982it [21:19, 1.30s/it] 983it [21:20, 1.30s/it] 984it [21:21, 1.30s/it] 985it [21:23, 1.29s/it] 986it [21:24, 1.29s/it] 987it [21:25, 1.29s/it] 988it [21:27, 1.29s/it] 989it [21:28, 1.30s/it] 990it [21:29, 1.30s/it] 991it [21:30, 1.30s/it] 992it [21:32, 1.29s/it] 993it [21:33, 1.30s/it] 994it [21:34, 1.30s/it] 995it [21:36, 1.30s/it] 996it [21:37, 1.29s/it] 997it [21:38, 1.29s/it] 998it [21:40, 1.29s/it] 999it [21:41, 1.29s/it] 1000it [21:42, 1.29s/it] 1000it [21:42, 1.30s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:00.729748 +⏰ Completed process in 0:21:43.030449 diff --git a/chunked/d4-dock_043.csv.gz b/chunked/d4-dock_043.csv.gz index a7c14ffa260f12aa908610513bac0b87ac1c2b1a..3d1640c7e8db7e8af5b541f595605282bf5835cc 100644 --- a/chunked/d4-dock_043.csv.gz +++ b/chunked/d4-dock_043.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:e623ac60b648c313fb69c2cadd1ac0095f51b35e6884110ea5f0ae728a4e4cf6 -size 33518006 +oid sha256:fa339d571b3fb2310d6632f508b4d127235d1d866d52e5dc9cab50972d31a522 +size 33518018 diff --git a/chunked/d4-dock_043.log b/chunked/d4-dock_043.log index fea48cf97fe3076e8fc39297d12dc62264965f78..df42535e16860faa59f0f3ddbd70da92d41e14c1 100644 --- a/chunked/d4-dock_043.log +++ b/chunked/d4-dock_043.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.39s/it] 2it [00:02, 1.37s/it] 3it [00:04, 1.37s/it] 4it [00:05, 1.37s/it] 5it [00:06, 1.36s/it] 6it [00:08, 1.35s/it] 7it [00:09, 1.35s/it] 8it [00:10, 1.34s/it] 9it [00:12, 1.34s/it] 10it [00:13, 1.34s/it] 11it [00:14, 1.34s/it] 12it [00:16, 1.35s/it] 13it [00:17, 1.35s/it] 14it [00:18, 1.35s/it] 15it [00:20, 1.35s/it] 16it [00:21, 1.35s/it] 17it [00:22, 1.35s/it] 18it [00:24, 1.34s/it] 19it [00:25, 1.34s/it] 20it [00:26, 1.33s/it] 21it [00:28, 1.33s/it] 22it [00:29, 1.34s/it] 23it [00:30, 1.35s/it] 24it [00:32, 1.35s/it] 25it [00:33, 1.35s/it] 26it [00:35, 1.35s/it] 27it [00:36, 1.35s/it] 28it [00:37, 1.35s/it] 29it [00:39, 1.35s/it] 30it [00:40, 1.35s/it] 31it [00:41, 1.35s/it] 32it [00:43, 1.34s/it] 33it [00:44, 1.33s/it] 34it [00:45, 1.33s/it] 35it [00:47, 1.34s/it] 36it [00:48, 1.34s/it] 37it [00:49, 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[14:44, 1.35s/it] 662it [14:45, 1.35s/it] 663it [14:46, 1.36s/it] 664it [14:48, 1.36s/it] 665it [14:49, 1.37s/it] 666it [14:50, 1.36s/it] 667it [14:52, 1.37s/it] 668it [14:53, 1.37s/it] 669it [14:54, 1.37s/it] 670it [14:56, 1.36s/it] 671it [14:57, 1.37s/it] 672it [14:59, 1.37s/it] 673it [15:00, 1.38s/it] 674it [15:01, 1.38s/it] 675it [15:03, 1.38s/it] 676it [15:04, 1.38s/it] 677it [15:06, 1.38s/it] 678it [15:07, 1.37s/it] 679it [15:08, 1.36s/it] 680it [15:10, 1.36s/it] 681it [15:11, 1.36s/it] 682it [15:12, 1.36s/it] 683it [15:14, 1.34s/it] 684it [15:15, 1.33s/it] 685it [15:16, 1.33s/it] 686it [15:17, 1.32s/it] 687it [15:19, 1.31s/it] 688it [15:20, 1.31s/it] 689it [15:21, 1.31s/it] 690it [15:23, 1.32s/it] 691it [15:24, 1.32s/it] 692it [15:25, 1.32s/it] 693it [15:27, 1.33s/it] 694it [15:28, 1.33s/it] 695it [15:29, 1.33s/it] 696it [15:31, 1.33s/it] 697it [15:32, 1.34s/it] 698it [15:33, 1.35s/it] 699it [15:35, 1.35s/it] 700it [15:36, 1.35s/it] 701it [15:37, 1.35s/it] 702it [15:39, 1.35s/it] 703it [15:40, 1.35s/it] 704it [15:42, 1.35s/it] 705it [15:43, 1.35s/it] 706it [15:44, 1.34s/it] 707it [15:46, 1.34s/it] 708it [15:47, 1.34s/it] 709it [15:48, 1.34s/it] 710it [15:50, 1.33s/it] 711it [15:51, 1.32s/it] 712it [15:52, 1.32s/it] 713it [15:53, 1.32s/it] 714it [15:55, 1.32s/it] 715it [15:56, 1.33s/it] 716it [15:57, 1.33s/it] 717it [15:59, 1.33s/it] 718it [16:00, 1.33s/it] 719it [16:01, 1.34s/it] 720it [16:03, 1.33s/it] 721it [16:04, 1.33s/it] 722it [16:05, 1.32s/it] 723it [16:07, 1.32s/it] 724it [16:08, 1.33s/it] 725it [16:09, 1.33s/it] 726it [16:11, 1.33s/it] 727it [16:12, 1.34s/it] 728it [16:13, 1.35s/it] 729it [16:15, 1.35s/it] 730it [16:16, 1.36s/it] 731it [16:18, 1.36s/it] 732it [16:19, 1.36s/it] 733it [16:20, 1.37s/it] 734it [16:22, 1.37s/it] 735it [16:23, 1.37s/it] 736it [16:24, 1.36s/it] 737it [16:26, 1.36s/it] 738it [16:27, 1.36s/it] 739it [16:28, 1.35s/it] 740it [16:30, 1.35s/it] 741it [16:31, 1.37s/it] 742it [16:33, 1.38s/it] 743it [16:34, 1.37s/it] 744it [16:35, 1.38s/it] 745it [16:37, 1.37s/it] 746it [16:38, 1.37s/it] 747it [16:39, 1.36s/it] 748it [16:41, 1.36s/it] 749it [16:42, 1.36s/it] 750it [16:44, 1.36s/it] 751it [16:45, 1.37s/it] 752it [16:46, 1.37s/it] 753it [16:48, 1.37s/it] 754it [16:49, 1.37s/it] 755it [16:50, 1.37s/it] 756it [16:52, 1.37s/it] 757it [16:53, 1.37s/it] 758it [16:54, 1.37s/it] 759it [16:56, 1.37s/it] 760it [16:57, 1.37s/it] 761it [16:59, 1.37s/it] 762it [17:00, 1.37s/it] 763it [17:01, 1.38s/it] 764it [17:03, 1.38s/it] 765it [17:04, 1.38s/it] 766it [17:06, 1.38s/it] 767it [17:07, 1.38s/it] 768it [17:08, 1.38s/it] 769it [17:10, 1.37s/it] 770it [17:11, 1.37s/it] 771it [17:12, 1.37s/it] 772it [17:14, 1.38s/it] 773it [17:15, 1.38s/it] 774it [17:16, 1.37s/it] 775it [17:18, 1.37s/it] 776it [17:19, 1.37s/it] 777it [17:21, 1.37s/it] 778it [17:22, 1.36s/it] 779it [17:23, 1.35s/it] 780it [17:25, 1.35s/it] 781it [17:26, 1.35s/it] 782it [17:27, 1.35s/it] 783it [17:29, 1.35s/it] 784it [17:30, 1.34s/it] 785it [17:31, 1.34s/it] 786it [17:33, 1.35s/it] 787it [17:34, 1.35s/it] 788it [17:35, 1.34s/it] 789it [17:37, 1.35s/it] 790it [17:38, 1.35s/it] 791it [17:39, 1.35s/it] 792it [17:41, 1.35s/it] 793it [17:42, 1.35s/it] 794it [17:43, 1.35s/it] 795it [17:45, 1.35s/it] 796it [17:46, 1.34s/it] 797it [17:47, 1.34s/it] 798it [17:49, 1.34s/it] 799it [17:50, 1.34s/it] 800it [17:51, 1.34s/it] 801it [17:53, 1.34s/it] 802it [17:54, 1.34s/it] 803it [17:56, 1.35s/it] 804it [17:57, 1.35s/it] 805it [17:58, 1.35s/it] 806it [18:00, 1.35s/it] 807it [18:01, 1.35s/it] 808it [18:02, 1.35s/it] 809it [18:04, 1.35s/it] 810it [18:05, 1.34s/it] 811it [18:06, 1.34s/it] 812it [18:08, 1.35s/it] 813it [18:09, 1.35s/it] 814it [18:10, 1.34s/it] 815it [18:12, 1.34s/it] 816it [18:13, 1.34s/it] 817it [18:14, 1.34s/it] 818it [18:16, 1.34s/it] 819it [18:17, 1.34s/it] 820it [18:18, 1.34s/it] 821it [18:20, 1.34s/it] 822it [18:21, 1.34s/it] 823it [18:22, 1.34s/it] 824it [18:24, 1.34s/it] 825it [18:25, 1.33s/it] 826it [18:26, 1.33s/it] 827it [18:28, 1.34s/it] 828it [18:29, 1.32s/it] 829it [18:30, 1.32s/it] 830it [18:32, 1.31s/it] 831it [18:33, 1.31s/it] 832it [18:34, 1.31s/it] 833it [18:36, 1.30s/it] 834it [18:37, 1.31s/it] 835it [18:38, 1.30s/it] 836it [18:39, 1.30s/it] 837it [18:41, 1.30s/it] 838it [18:42, 1.30s/it] 839it [18:43, 1.30s/it] 840it [18:45, 1.30s/it] 841it [18:46, 1.30s/it] 842it [18:47, 1.31s/it] 843it [18:49, 1.32s/it] 844it [18:50, 1.34s/it] 845it [18:51, 1.34s/it] 846it [18:53, 1.34s/it] 847it [18:54, 1.34s/it] 848it [18:55, 1.35s/it] 849it [18:57, 1.35s/it] 850it [18:58, 1.35s/it] 851it [18:59, 1.35s/it] 852it [19:01, 1.35s/it] 853it [19:02, 1.35s/it] 854it [19:03, 1.35s/it] 855it [19:05, 1.34s/it] 856it [19:06, 1.34s/it] 857it [19:07, 1.34s/it] 858it [19:09, 1.35s/it] 859it [19:10, 1.31s/it] 860it [19:11, 1.29s/it] 861it [19:13, 1.29s/it] 862it [19:14, 1.30s/it] 863it [19:15, 1.32s/it] 864it [19:17, 1.33s/it] 865it [19:18, 1.34s/it] 866it [19:19, 1.34s/it] 867it [19:21, 1.35s/it] 868it [19:22, 1.35s/it] 869it [19:23, 1.37s/it] 870it [19:25, 1.37s/it] 871it [19:26, 1.37s/it] 872it [19:28, 1.36s/it] 873it [19:29, 1.36s/it] 874it [19:30, 1.36s/it] 875it [19:32, 1.36s/it] 876it [19:33, 1.35s/it] 877it [19:34, 1.34s/it] 878it [19:36, 1.35s/it] 879it [19:37, 1.35s/it] 880it [19:38, 1.35s/it] 881it [19:40, 1.35s/it] 882it [19:41, 1.35s/it] 883it [19:42, 1.35s/it] 884it [19:44, 1.35s/it] 885it [19:45, 1.36s/it] 886it [19:46, 1.35s/it] 887it [19:48, 1.35s/it] 888it [19:49, 1.35s/it] 889it [19:51, 1.35s/it] 890it [19:52, 1.36s/it] 891it [19:53, 1.36s/it] 892it [19:55, 1.37s/it] 893it [19:56, 1.38s/it] 894it [19:57, 1.38s/it] 895it [19:59, 1.38s/it] 896it [20:00, 1.38s/it] 897it [20:02, 1.39s/it] 898it [20:03, 1.39s/it] 899it [20:04, 1.38s/it] 900it [20:06, 1.38s/it] 901it [20:07, 1.37s/it] 902it [20:08, 1.37s/it] 903it [20:10, 1.37s/it] 904it [20:11, 1.36s/it] 905it [20:13, 1.37s/it] 906it [20:14, 1.37s/it] 907it [20:15, 1.36s/it] 908it [20:17, 1.37s/it] 909it [20:18, 1.36s/it] 910it [20:19, 1.35s/it] 911it [20:21, 1.34s/it] 912it [20:22, 1.33s/it] 913it [20:23, 1.32s/it] 914it [20:25, 1.33s/it] 915it [20:26, 1.33s/it] 916it [20:27, 1.34s/it] 917it [20:29, 1.33s/it] 918it [20:30, 1.33s/it] 919it [20:31, 1.33s/it] 920it [20:33, 1.33s/it] 921it [20:34, 1.34s/it] 922it [20:35, 1.34s/it] 923it [20:37, 1.34s/it] 924it [20:38, 1.34s/it] 925it [20:39, 1.34s/it] 926it [20:41, 1.34s/it] 927it [20:42, 1.34s/it] 928it [20:43, 1.34s/it] 929it [20:45, 1.34s/it] 930it [20:46, 1.35s/it] 931it [20:47, 1.35s/it] 932it [20:49, 1.34s/it] 933it [20:50, 1.34s/it] 934it [20:51, 1.34s/it] 935it [20:53, 1.34s/it] 936it [20:54, 1.35s/it] 937it [20:55, 1.35s/it] 938it [20:57, 1.36s/it] 939it [20:58, 1.36s/it] 940it [20:59, 1.35s/it] 941it [21:01, 1.35s/it] 942it [21:02, 1.34s/it] 943it [21:04, 1.34s/it] 944it [21:05, 1.33s/it] 945it [21:06, 1.32s/it] 946it [21:07, 1.32s/it] 947it [21:09, 1.33s/it] 948it [21:10, 1.34s/it] 949it [21:12, 1.35s/it] 950it [21:13, 1.36s/it] 951it [21:14, 1.36s/it] 952it [21:16, 1.36s/it] 953it [21:17, 1.37s/it] 954it [21:18, 1.37s/it] 955it [21:20, 1.37s/it] 956it [21:21, 1.37s/it] 957it [21:22, 1.36s/it] 958it [21:24, 1.37s/it] 959it [21:25, 1.38s/it] 960it [21:27, 1.37s/it] 961it [21:28, 1.37s/it] 962it [21:29, 1.36s/it] 963it [21:31, 1.36s/it] 964it [21:32, 1.36s/it] 965it [21:33, 1.37s/it] 966it [21:35, 1.37s/it] 967it [21:36, 1.36s/it] 968it [21:37, 1.35s/it] 969it [21:39, 1.34s/it] 970it [21:40, 1.33s/it] 971it [21:41, 1.33s/it] 972it [21:43, 1.32s/it] 973it [21:44, 1.31s/it] 974it [21:45, 1.33s/it] 975it [21:47, 1.33s/it] 976it [21:48, 1.33s/it] 977it [21:49, 1.32s/it] 978it [21:51, 1.32s/it] 979it [21:52, 1.32s/it] 980it [21:53, 1.33s/it] 981it [21:55, 1.33s/it] 982it [21:56, 1.34s/it] 983it [21:57, 1.34s/it] 984it [21:59, 1.35s/it] 985it [22:00, 1.34s/it] 986it [22:01, 1.33s/it] 987it [22:03, 1.34s/it] 988it [22:04, 1.34s/it] 989it [22:05, 1.34s/it] 990it [22:07, 1.33s/it] 991it [22:08, 1.33s/it] 992it [22:09, 1.33s/it] 993it [22:11, 1.33s/it] 994it [22:12, 1.34s/it] 995it [22:13, 1.35s/it] 996it [22:15, 1.35s/it] 997it [22:16, 1.35s/it] 998it [22:18, 1.35s/it] 999it [22:19, 1.35s/it] 1000it [22:20, 1.35s/it] 1000it [22:20, 1.34s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:28.711452 +⏰ Completed process in 0:22:21.224895 diff --git a/chunked/d4-dock_044.csv.gz b/chunked/d4-dock_044.csv.gz index d9deb65a267ca47c1869945640b03907c2575566..0bc685cfb558565c9a81708aad4fe7f1031dccd2 100644 --- a/chunked/d4-dock_044.csv.gz +++ b/chunked/d4-dock_044.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:2e1e1532f06fd180f92ab7318571fde469ea130673449d779955c83172b2f779 -size 34885770 +oid sha256:6f78da1366e1fc10c0db1fdcaf43145248dbfd8cdf6d916da7d7de01c8ac3e3e +size 34885757 diff --git a/chunked/d4-dock_044.log b/chunked/d4-dock_044.log index 0aea7ea279e80a2c6d16c4cda4e35a24e42ccf32..bd82389fb24accd930f5f62e0182ddbfa9074854 100644 --- a/chunked/d4-dock_044.log +++ b/chunked/d4-dock_044.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.35s/it] 2it [00:02, 1.34s/it] 3it [00:04, 1.35s/it] 4it [00:05, 1.35s/it] 5it [00:06, 1.34s/it] 6it [00:08, 1.34s/it] 7it [00:09, 1.34s/it] 8it [00:10, 1.33s/it] 9it [00:12, 1.34s/it] 10it [00:13, 1.35s/it] 11it [00:14, 1.34s/it] 12it [00:16, 1.34s/it] 13it [00:17, 1.34s/it] 14it [00:18, 1.33s/it] 15it [00:20, 1.33s/it] 16it [00:21, 1.32s/it] 17it [00:22, 1.32s/it] 18it [00:24, 1.32s/it] 19it [00:25, 1.32s/it] 20it [00:26, 1.33s/it] 21it [00:28, 1.34s/it] 22it [00:29, 1.36s/it] 23it [00:30, 1.37s/it] 24it [00:32, 1.37s/it] 25it [00:33, 1.36s/it] 26it [00:34, 1.35s/it] 27it [00:36, 1.35s/it] 28it [00:37, 1.35s/it] 29it [00:38, 1.34s/it] 30it [00:40, 1.34s/it] 31it [00:41, 1.33s/it] 32it [00:42, 1.33s/it] 33it [00:44, 1.34s/it] 34it [00:45, 1.34s/it] 35it [00:46, 1.34s/it] 36it [00:48, 1.34s/it] 37it [00:49, 1.34s/it] 38it [00:50, 1.34s/it] 39it [00:52, 1.34s/it] 40it [00:53, 1.35s/it] 41it [00:54, 1.35s/it] 42it [00:56, 1.35s/it] 43it [00:57, 1.35s/it] 44it [00:59, 1.35s/it] 45it [01:00, 1.35s/it] 46it [01:01, 1.35s/it] 47it [01:03, 1.35s/it] 48it [01:04, 1.35s/it] 49it [01:05, 1.36s/it] 50it [01:07, 1.36s/it] 51it [01:08, 1.36s/it] 52it [01:09, 1.35s/it] 53it [01:11, 1.35s/it] 54it [01:12, 1.34s/it] 55it [01:13, 1.34s/it] 56it [01:15, 1.34s/it] 57it [01:16, 1.33s/it] 58it [01:17, 1.33s/it] 59it [01:19, 1.32s/it] 60it [01:20, 1.31s/it] 61it [01:21, 1.31s/it] 62it [01:23, 1.31s/it] 63it [01:24, 1.33s/it] 64it [01:25, 1.33s/it] 65it [01:27, 1.34s/it] 66it [01:28, 1.34s/it] 67it [01:29, 1.34s/it] 68it [01:31, 1.34s/it] 69it [01:32, 1.34s/it] 70it [01:33, 1.34s/it] 71it [01:35, 1.34s/it] 72it [01:36, 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[20:42, 1.31s/it] 944it [20:44, 1.31s/it] 945it [20:45, 1.32s/it] 946it [20:46, 1.32s/it] 947it [20:48, 1.32s/it] 948it [20:49, 1.31s/it] 949it [20:50, 1.31s/it] 950it [20:52, 1.31s/it] 951it [20:53, 1.32s/it] 952it [20:54, 1.32s/it] 953it [20:56, 1.33s/it] 954it [20:57, 1.33s/it] 955it [20:58, 1.33s/it] 956it [21:00, 1.34s/it] 957it [21:01, 1.34s/it] 958it [21:02, 1.34s/it] 959it [21:04, 1.34s/it] 960it [21:05, 1.33s/it] 961it [21:06, 1.33s/it] 962it [21:08, 1.33s/it] 963it [21:09, 1.33s/it] 964it [21:10, 1.33s/it] 965it [21:12, 1.33s/it] 966it [21:13, 1.33s/it] 967it [21:14, 1.33s/it] 968it [21:16, 1.32s/it] 969it [21:17, 1.31s/it] 970it [21:18, 1.31s/it] 971it [21:20, 1.31s/it] 972it [21:21, 1.31s/it] 973it [21:22, 1.31s/it] 974it [21:24, 1.33s/it] 975it [21:25, 1.34s/it] 976it [21:26, 1.33s/it] 977it [21:28, 1.32s/it] 978it [21:29, 1.32s/it] 979it [21:30, 1.32s/it] 980it [21:31, 1.32s/it] 981it [21:33, 1.32s/it] 982it [21:34, 1.32s/it] 983it [21:35, 1.32s/it] 984it [21:37, 1.32s/it] 985it [21:38, 1.32s/it] 986it [21:39, 1.32s/it] 987it [21:41, 1.32s/it] 988it [21:42, 1.32s/it] 989it [21:43, 1.33s/it] 990it [21:45, 1.33s/it] 991it [21:46, 1.34s/it] 992it [21:47, 1.33s/it] 993it [21:49, 1.33s/it] 994it [21:50, 1.34s/it] 995it [21:51, 1.34s/it] 996it [21:53, 1.34s/it] 997it [21:54, 1.35s/it] 998it [21:55, 1.35s/it] 999it [21:57, 1.34s/it] 1000it [21:58, 1.34s/it] 1000it [21:58, 1.32s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:13.255550 +⏰ Completed process in 0:21:59.206794 diff --git a/chunked/d4-dock_045.csv.gz b/chunked/d4-dock_045.csv.gz index 836dced059e23a8fc851605e9d07b0c6dcded8b6..fc23548d760e9b436e978c513779c988ac1936ed 100644 --- a/chunked/d4-dock_045.csv.gz +++ b/chunked/d4-dock_045.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:409f32bae4502f6b3c2d81f5cdd9a7e647fe58a6dfd4cc8bc2502130f5c5dc3d -size 34744458 +oid sha256:ccd8e4c97e5f49df0ae0aea2036e2febf7fe35b272e909825a49d69ff05fb56c +size 34744435 diff --git a/chunked/d4-dock_045.log b/chunked/d4-dock_045.log index 67069dfd8cf8142e2c02cd8d07bd9be7d6af499c..7df6a0083bb63a5e61db08eaf8c000b8b1b13a57 100644 --- a/chunked/d4-dock_045.log +++ b/chunked/d4-dock_045.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.32s/it] 2it [00:02, 1.32s/it] 3it [00:03, 1.32s/it] 4it [00:05, 1.32s/it] 5it [00:06, 1.32s/it] 6it [00:07, 1.32s/it] 7it [00:09, 1.32s/it] 8it [00:10, 1.32s/it] 9it [00:11, 1.32s/it] 10it [00:13, 1.32s/it] 11it [00:14, 1.32s/it] 12it [00:15, 1.33s/it] 13it [00:17, 1.33s/it] 14it [00:18, 1.33s/it] 15it [00:19, 1.33s/it] 16it [00:21, 1.33s/it] 17it [00:22, 1.33s/it] 18it [00:23, 1.34s/it] 19it [00:25, 1.34s/it] 20it [00:26, 1.34s/it] 21it [00:27, 1.35s/it] 22it 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1.37s/it] 730it [16:35, 1.37s/it] 731it [16:36, 1.37s/it] 732it [16:37, 1.37s/it] 733it [16:39, 1.37s/it] 734it [16:40, 1.37s/it] 735it [16:41, 1.37s/it] 736it [16:43, 1.37s/it] 737it [16:44, 1.37s/it] 738it [16:46, 1.37s/it] 739it [16:47, 1.38s/it] 740it [16:48, 1.38s/it] 741it [16:50, 1.38s/it] 742it [16:51, 1.38s/it] 743it [16:52, 1.38s/it] 744it [16:54, 1.38s/it] 745it [16:55, 1.37s/it] 746it [16:57, 1.37s/it] 747it [16:58, 1.37s/it] 748it [16:59, 1.37s/it] 749it [17:01, 1.37s/it] 750it [17:02, 1.36s/it] 751it [17:03, 1.35s/it] 752it [17:05, 1.35s/it] 753it [17:06, 1.35s/it] 754it [17:07, 1.36s/it] 755it [17:09, 1.35s/it] 756it [17:10, 1.35s/it] 757it [17:11, 1.35s/it] 758it [17:13, 1.35s/it] 759it [17:14, 1.35s/it] 760it [17:15, 1.35s/it] 761it [17:17, 1.35s/it] 762it [17:18, 1.35s/it] 763it [17:20, 1.36s/it] 764it [17:21, 1.36s/it] 765it [17:22, 1.36s/it] 766it [17:24, 1.36s/it] 767it [17:25, 1.36s/it] 768it [17:26, 1.35s/it] 769it [17:28, 1.35s/it] 770it [17:29, 1.35s/it] 771it [17:30, 1.35s/it] 772it [17:32, 1.35s/it] 773it [17:33, 1.34s/it] 774it [17:34, 1.35s/it] 775it [17:36, 1.35s/it] 776it [17:37, 1.34s/it] 777it [17:38, 1.35s/it] 778it [17:40, 1.35s/it] 779it [17:41, 1.35s/it] 780it [17:42, 1.35s/it] 781it [17:44, 1.35s/it] 782it [17:45, 1.35s/it] 783it [17:47, 1.35s/it] 784it [17:48, 1.35s/it] 785it [17:49, 1.35s/it] 786it [17:51, 1.35s/it] 787it [17:52, 1.35s/it] 788it [17:53, 1.34s/it] 789it [17:55, 1.34s/it] 790it [17:56, 1.34s/it] 791it [17:57, 1.34s/it] 792it [17:59, 1.34s/it] 793it [18:00, 1.34s/it] 794it [18:01, 1.34s/it] 795it [18:03, 1.34s/it] 796it [18:04, 1.35s/it] 797it [18:05, 1.35s/it] 798it [18:07, 1.36s/it] 799it [18:08, 1.36s/it] 800it [18:09, 1.36s/it] 801it [18:11, 1.36s/it] 802it [18:12, 1.36s/it] 803it [18:14, 1.37s/it] 804it [18:15, 1.37s/it] 805it [18:16, 1.37s/it] 806it [18:18, 1.37s/it] 807it [18:19, 1.37s/it] 808it [18:20, 1.37s/it] 809it [18:22, 1.37s/it] 810it [18:23, 1.37s/it] 811it [18:25, 1.38s/it] 812it [18:26, 1.37s/it] 813it [18:27, 1.37s/it] 814it [18:29, 1.37s/it] 815it [18:30, 1.37s/it] 816it [18:31, 1.36s/it] 817it [18:33, 1.36s/it] 818it [18:34, 1.36s/it] 819it [18:35, 1.35s/it] 820it [18:37, 1.35s/it] 821it [18:38, 1.35s/it] 822it [18:39, 1.35s/it] 823it [18:41, 1.35s/it] 824it [18:42, 1.35s/it] 825it [18:44, 1.35s/it] 826it [18:45, 1.35s/it] 827it [18:46, 1.37s/it] 828it [18:48, 1.37s/it] 829it [18:49, 1.36s/it] 830it [18:50, 1.36s/it] 831it [18:52, 1.35s/it] 832it [18:53, 1.35s/it] 833it [18:54, 1.35s/it] 834it [18:56, 1.34s/it] 835it [18:57, 1.34s/it] 836it [18:58, 1.35s/it] 837it [19:00, 1.34s/it] 838it [19:01, 1.34s/it] 839it [19:02, 1.34s/it] 840it [19:04, 1.34s/it] 841it [19:05, 1.35s/it] 842it [19:06, 1.35s/it] 843it [19:08, 1.35s/it] 844it [19:09, 1.36s/it] 845it [19:11, 1.36s/it] 846it [19:12, 1.35s/it] 847it [19:13, 1.35s/it] 848it [19:15, 1.34s/it] 849it [19:16, 1.33s/it] 850it [19:17, 1.33s/it] 851it [19:19, 1.34s/it] 852it [19:20, 1.34s/it] 853it [19:21, 1.33s/it] 854it [19:23, 1.33s/it] 855it [19:24, 1.33s/it] 856it [19:25, 1.33s/it] 857it [19:27, 1.33s/it] 858it [19:28, 1.34s/it] 859it [19:29, 1.34s/it] 860it [19:31, 1.34s/it] 861it [19:32, 1.34s/it] 862it [19:33, 1.34s/it] 863it [19:35, 1.34s/it] 864it [19:36, 1.34s/it] 865it [19:37, 1.34s/it] 866it [19:39, 1.35s/it] 867it [19:40, 1.35s/it] 868it [19:41, 1.35s/it] 869it [19:43, 1.35s/it] 870it [19:44, 1.35s/it] 871it [19:45, 1.35s/it] 872it [19:47, 1.35s/it] 873it [19:48, 1.34s/it] 874it [19:49, 1.34s/it] 875it [19:51, 1.35s/it] 876it [19:52, 1.34s/it] 877it [19:53, 1.35s/it] 878it [19:55, 1.36s/it] 879it [19:56, 1.36s/it] 880it [19:58, 1.36s/it] 881it [19:59, 1.35s/it] 882it [20:00, 1.35s/it] 883it [20:02, 1.35s/it] 884it [20:03, 1.35s/it] 885it [20:04, 1.35s/it] 886it [20:06, 1.34s/it] 887it [20:07, 1.34s/it] 888it [20:08, 1.34s/it] 889it [20:10, 1.34s/it] 890it [20:11, 1.34s/it] 891it [20:12, 1.34s/it] 892it [20:14, 1.34s/it] 893it [20:15, 1.35s/it] 894it [20:16, 1.34s/it] 895it [20:18, 1.34s/it] 896it [20:19, 1.34s/it] 897it [20:20, 1.35s/it] 898it [20:22, 1.36s/it] 899it [20:23, 1.36s/it] 900it [20:25, 1.37s/it] 901it [20:26, 1.36s/it] 902it [20:27, 1.36s/it] 903it [20:29, 1.36s/it] 904it [20:30, 1.36s/it] 905it [20:31, 1.36s/it] 906it [20:33, 1.36s/it] 907it [20:34, 1.36s/it] 908it [20:35, 1.36s/it] 909it [20:37, 1.35s/it] 910it [20:38, 1.35s/it] 911it [20:39, 1.35s/it] 912it [20:41, 1.35s/it] 913it [20:42, 1.35s/it] 914it [20:43, 1.35s/it] 915it [20:45, 1.34s/it] 916it [20:46, 1.34s/it] 917it [20:48, 1.34s/it] 918it [20:49, 1.34s/it] 919it [20:50, 1.34s/it] 920it [20:52, 1.35s/it] 921it [20:53, 1.35s/it] 922it [20:54, 1.36s/it] 923it [20:56, 1.36s/it] 924it [20:57, 1.36s/it] 925it [20:58, 1.37s/it] 926it [21:00, 1.37s/it] 927it [21:01, 1.38s/it] 928it [21:03, 1.38s/it] 929it [21:04, 1.38s/it] 930it [21:05, 1.38s/it] 931it [21:07, 1.39s/it] 932it [21:08, 1.38s/it] 933it [21:09, 1.38s/it] 934it [21:11, 1.38s/it] 935it [21:12, 1.38s/it] 936it [21:14, 1.38s/it] 937it [21:15, 1.38s/it] 938it [21:16, 1.37s/it] 939it [21:18, 1.37s/it] 940it [21:19, 1.37s/it] 941it [21:20, 1.37s/it] 942it [21:22, 1.37s/it] 943it [21:23, 1.37s/it] 944it [21:25, 1.37s/it] 945it [21:26, 1.37s/it] 946it [21:27, 1.38s/it] 947it [21:29, 1.38s/it] 948it [21:30, 1.38s/it] 949it [21:31, 1.38s/it] 950it [21:33, 1.38s/it] 951it [21:34, 1.38s/it] 952it [21:36, 1.38s/it] 953it [21:37, 1.38s/it] 954it [21:38, 1.39s/it] 955it [21:40, 1.39s/it] 956it [21:41, 1.38s/it] 957it [21:43, 1.38s/it] 958it [21:44, 1.37s/it] 959it [21:45, 1.37s/it] 960it [21:47, 1.37s/it] 961it [21:48, 1.37s/it] 962it [21:49, 1.38s/it] 963it [21:51, 1.37s/it] 964it [21:52, 1.36s/it] 965it [21:53, 1.36s/it] 966it [21:55, 1.36s/it] 967it [21:56, 1.36s/it] 968it [21:58, 1.37s/it] 969it [21:59, 1.36s/it] 970it [22:00, 1.36s/it] 971it [22:02, 1.36s/it] 972it [22:03, 1.37s/it] 973it [22:04, 1.37s/it] 974it [22:06, 1.37s/it] 975it [22:07, 1.37s/it] 976it [22:08, 1.36s/it] 977it [22:10, 1.36s/it] 978it [22:11, 1.36s/it] 979it [22:13, 1.36s/it] 980it [22:14, 1.36s/it] 981it [22:15, 1.36s/it] 982it [22:17, 1.35s/it] 983it [22:18, 1.35s/it] 984it [22:19, 1.35s/it] 985it [22:21, 1.35s/it] 986it [22:22, 1.35s/it] 987it [22:23, 1.35s/it] 988it [22:25, 1.34s/it] 989it [22:26, 1.36s/it] 990it [22:27, 1.35s/it] 991it [22:29, 1.35s/it] 992it [22:30, 1.35s/it] 993it [22:31, 1.35s/it] 994it [22:33, 1.34s/it] 995it [22:34, 1.35s/it] 996it [22:35, 1.35s/it] 997it [22:37, 1.34s/it] 998it [22:38, 1.34s/it] 999it [22:39, 1.34s/it] 1000it [22:41, 1.34s/it] 1000it [22:41, 1.36s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:04.841284 +⏰ Completed process in 0:22:41.810472 diff --git a/chunked/d4-dock_046.csv.gz b/chunked/d4-dock_046.csv.gz index 73f5296fbd2196c856cbdd4f1b5a19a421239c0c..5a05287645f097bab2d4c30c2910de432fa07f16 100644 --- a/chunked/d4-dock_046.csv.gz +++ b/chunked/d4-dock_046.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:6bc656e021f366f46dde1872897a2c96447b5c7f84b028bfaf84707550f10d97 -size 34505923 +oid sha256:147601807f2066f2c8e3ffbe3f723792e061e5edd608c1cea7fd149198c6eeaf +size 34505928 diff --git a/chunked/d4-dock_046.log b/chunked/d4-dock_046.log index 3b6681d3f9b302432b35be903e1f5f786c620ff4..552e7ff065948e931a9fbb30e89dce44529f1ed4 100644 --- a/chunked/d4-dock_046.log +++ b/chunked/d4-dock_046.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.33s/it] 2it [00:02, 1.31s/it] 3it [00:03, 1.31s/it] 4it [00:05, 1.32s/it] 5it [00:06, 1.32s/it] 6it [00:07, 1.32s/it] 7it [00:09, 1.32s/it] 8it [00:10, 1.32s/it] 9it [00:11, 1.32s/it] 10it [00:13, 1.32s/it] 11it [00:14, 1.32s/it] 12it [00:15, 1.31s/it] 13it [00:17, 1.31s/it] 14it [00:18, 1.31s/it] 15it [00:19, 1.31s/it] 16it [00:21, 1.31s/it] 17it [00:22, 1.31s/it] 18it [00:23, 1.31s/it] 19it [00:24, 1.31s/it] 20it [00:26, 1.31s/it] 21it [00:27, 1.31s/it] 22it [00:28, 1.31s/it] 23it [00:30, 1.31s/it] 24it [00:31, 1.32s/it] 25it [00:32, 1.32s/it] 26it [00:34, 1.32s/it] 27it [00:35, 1.33s/it] 28it [00:36, 1.32s/it] 29it [00:38, 1.32s/it] 30it [00:39, 1.32s/it] 31it [00:40, 1.32s/it] 32it [00:42, 1.32s/it] 33it [00:43, 1.32s/it] 34it [00:44, 1.31s/it] 35it [00:46, 1.31s/it] 36it [00:47, 1.30s/it] 37it [00:48, 1.30s/it] 38it [00:49, 1.31s/it] 39it [00:51, 1.31s/it] 40it [00:52, 1.31s/it] 41it [00:53, 1.31s/it] 42it [00:55, 1.31s/it] 43it [00:56, 1.31s/it] 44it [00:57, 1.31s/it] 45it [00:59, 1.31s/it] 46it [01:00, 1.31s/it] 47it [01:01, 1.31s/it] 48it [01:03, 1.31s/it] 49it [01:04, 1.32s/it] 50it [01:05, 1.32s/it] 51it [01:07, 1.32s/it] 52it [01:08, 1.31s/it] 53it [01:09, 1.31s/it] 54it [01:10, 1.32s/it] 55it [01:12, 1.32s/it] 56it [01:13, 1.33s/it] 57it [01:15, 1.34s/it] 58it [01:16, 1.34s/it] 59it [01:17, 1.34s/it] 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1.38s/it] 973it [22:04, 1.38s/it] 974it [22:06, 1.38s/it] 975it [22:07, 1.39s/it] 976it [22:08, 1.38s/it] 977it [22:10, 1.38s/it] 978it [22:11, 1.38s/it] 979it [22:13, 1.39s/it] 980it [22:14, 1.39s/it] 981it [22:15, 1.38s/it] 982it [22:17, 1.38s/it] 983it [22:18, 1.39s/it] 984it [22:19, 1.39s/it] 985it [22:21, 1.38s/it] 986it [22:22, 1.37s/it] 987it [22:24, 1.37s/it] 988it [22:25, 1.37s/it] 989it [22:26, 1.38s/it] 990it [22:28, 1.38s/it] 991it [22:29, 1.38s/it] 992it [22:30, 1.37s/it] 993it [22:32, 1.37s/it] 994it [22:33, 1.37s/it] 995it [22:34, 1.36s/it] 996it [22:36, 1.36s/it] 997it [22:37, 1.35s/it] 998it [22:39, 1.35s/it] 999it [22:40, 1.35s/it] 1000it [22:41, 1.35s/it] 1000it [22:41, 1.36s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:16.826601 +⏰ Completed process in 0:22:42.357694 diff --git a/chunked/d4-dock_047.csv.gz b/chunked/d4-dock_047.csv.gz index 43040f1783876899e06988de8547cb080b3fbad1..283baa9963a5b5270719cb2e3fd3777fc71d4b75 100644 --- a/chunked/d4-dock_047.csv.gz +++ b/chunked/d4-dock_047.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:a7c4a96fd6319f4490f2fe246bfd8b97ea53be680268b964adc9cb454b77c1f2 +oid sha256:3ae43895a7110886963289157ce59089d95cefe97ecb67ee50bd1fb38fcb0019 size 35163631 diff --git a/chunked/d4-dock_047.log b/chunked/d4-dock_047.log index 94e0fd07206b9569c939f7d9a548d9fe81caf85b..1bdedd5af67382179f5792ef994b44473e640d5e 100644 --- a/chunked/d4-dock_047.log +++ b/chunked/d4-dock_047.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.34s/it] 2it [00:02, 1.34s/it] 3it [00:04, 1.35s/it] 4it [00:05, 1.35s/it] 5it [00:06, 1.34s/it] 6it [00:08, 1.34s/it] 7it [00:09, 1.34s/it] 8it [00:10, 1.34s/it] 9it [00:12, 1.34s/it] 10it [00:13, 1.34s/it] 11it [00:14, 1.34s/it] 12it [00:16, 1.34s/it] 13it [00:17, 1.34s/it] 14it [00:18, 1.33s/it] 15it [00:20, 1.33s/it] 16it [00:21, 1.33s/it] 17it [00:22, 1.33s/it] 18it [00:24, 1.33s/it] 19it [00:25, 1.33s/it] 20it [00:26, 1.33s/it] 21it [00:28, 1.33s/it] 22it [00:29, 1.33s/it] 23it [00:30, 1.33s/it] 24it [00:32, 1.33s/it] 25it [00:33, 1.33s/it] 26it [00:34, 1.34s/it] 27it [00:36, 1.33s/it] 28it [00:37, 1.34s/it] 29it [00:38, 1.34s/it] 30it [00:40, 1.33s/it] 31it [00:41, 1.34s/it] 32it [00:42, 1.33s/it] 33it [00:44, 1.33s/it] 34it [00:45, 1.33s/it] 35it [00:46, 1.33s/it] 36it [00:48, 1.34s/it] 37it [00:49, 1.33s/it] 38it [00:50, 1.32s/it] 39it [00:52, 1.32s/it] 40it [00:53, 1.32s/it] 41it [00:54, 1.32s/it] 42it [00:56, 1.33s/it] 43it [00:57, 1.33s/it] 44it [00:58, 1.33s/it] 45it [01:00, 1.33s/it] 46it [01:01, 1.33s/it] 47it [01:02, 1.34s/it] 48it [01:04, 1.34s/it] 49it [01:05, 1.34s/it] 50it [01:06, 1.35s/it] 51it [01:08, 1.35s/it] 52it [01:09, 1.35s/it] 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1.38s/it] 801it [18:27, 1.38s/it] 802it [18:28, 1.38s/it] 803it [18:30, 1.38s/it] 804it [18:31, 1.38s/it] 805it [18:32, 1.38s/it] 806it [18:34, 1.38s/it] 807it [18:35, 1.38s/it] 808it [18:36, 1.37s/it] 809it [18:38, 1.37s/it] 810it [18:39, 1.37s/it] 811it [18:41, 1.37s/it] 812it [18:42, 1.37s/it] 813it [18:43, 1.37s/it] 814it [18:45, 1.37s/it] 815it [18:46, 1.37s/it] 816it [18:47, 1.37s/it] 817it [18:49, 1.37s/it] 818it [18:50, 1.37s/it] 819it [18:52, 1.37s/it] 820it [18:53, 1.37s/it] 821it [18:54, 1.37s/it] 822it [18:56, 1.37s/it] 823it [18:57, 1.37s/it] 824it [18:58, 1.37s/it] 825it [19:00, 1.37s/it] 826it [19:01, 1.37s/it] 827it [19:03, 1.39s/it] 828it [19:04, 1.38s/it] 829it [19:05, 1.38s/it] 830it [19:07, 1.38s/it] 831it [19:08, 1.38s/it] 832it [19:09, 1.38s/it] 833it [19:11, 1.38s/it] 834it [19:12, 1.38s/it] 835it [19:14, 1.38s/it] 836it [19:15, 1.38s/it] 837it [19:16, 1.38s/it] 838it [19:18, 1.38s/it] 839it [19:19, 1.38s/it] 840it [19:20, 1.38s/it] 841it [19:22, 1.37s/it] 842it [19:23, 1.37s/it] 843it [19:25, 1.37s/it] 844it [19:26, 1.37s/it] 845it [19:27, 1.37s/it] 846it [19:29, 1.37s/it] 847it [19:30, 1.37s/it] 848it [19:31, 1.37s/it] 849it [19:33, 1.37s/it] 850it [19:34, 1.37s/it] 851it [19:36, 1.38s/it] 852it [19:37, 1.38s/it] 853it [19:38, 1.39s/it] 854it [19:40, 1.39s/it] 855it [19:41, 1.39s/it] 856it [19:43, 1.39s/it] 857it [19:44, 1.39s/it] 858it [19:45, 1.39s/it] 859it [19:47, 1.39s/it] 860it [19:48, 1.39s/it] 861it [19:49, 1.39s/it] 862it [19:51, 1.39s/it] 863it [19:52, 1.40s/it] 864it [19:54, 1.40s/it] 865it [19:55, 1.40s/it] 866it [19:56, 1.40s/it] 867it [19:58, 1.40s/it] 868it [19:59, 1.40s/it] 869it [20:01, 1.39s/it] 870it [20:02, 1.39s/it] 871it [20:03, 1.39s/it] 872it [20:05, 1.39s/it] 873it [20:06, 1.39s/it] 874it [20:08, 1.39s/it] 875it [20:09, 1.39s/it] 876it [20:10, 1.39s/it] 877it [20:12, 1.38s/it] 878it [20:13, 1.38s/it] 879it [20:14, 1.38s/it] 880it [20:16, 1.37s/it] 881it [20:17, 1.38s/it] 882it [20:19, 1.38s/it] 883it [20:20, 1.38s/it] 884it [20:21, 1.38s/it] 885it [20:23, 1.38s/it] 886it [20:24, 1.39s/it] 887it [20:26, 1.38s/it] 888it [20:27, 1.38s/it] 889it [20:28, 1.38s/it] 890it [20:30, 1.39s/it] 891it [20:31, 1.39s/it] 892it [20:32, 1.39s/it] 893it [20:34, 1.38s/it] 894it [20:35, 1.38s/it] 895it [20:37, 1.38s/it] 896it [20:38, 1.39s/it] 897it [20:39, 1.38s/it] 898it [20:41, 1.38s/it] 899it [20:42, 1.38s/it] 900it [20:43, 1.37s/it] 901it [20:45, 1.37s/it] 902it [20:46, 1.37s/it] 903it [20:48, 1.37s/it] 904it [20:49, 1.38s/it] 905it [20:50, 1.38s/it] 906it [20:52, 1.38s/it] 907it [20:53, 1.37s/it] 908it [20:54, 1.38s/it] 909it [20:56, 1.37s/it] 910it [20:57, 1.37s/it] 911it [20:59, 1.38s/it] 912it [21:00, 1.38s/it] 913it [21:01, 1.37s/it] 914it [21:03, 1.37s/it] 915it [21:04, 1.37s/it] 916it [21:05, 1.37s/it] 917it [21:07, 1.37s/it] 918it [21:08, 1.37s/it] 919it [21:10, 1.37s/it] 920it [21:11, 1.37s/it] 921it [21:12, 1.36s/it] 922it [21:14, 1.36s/it] 923it [21:15, 1.37s/it] 924it [21:16, 1.36s/it] 925it [21:18, 1.36s/it] 926it [21:19, 1.36s/it] 927it [21:20, 1.35s/it] 928it [21:22, 1.35s/it] 929it [21:23, 1.35s/it] 930it [21:24, 1.35s/it] 931it [21:26, 1.35s/it] 932it [21:27, 1.35s/it] 933it [21:29, 1.35s/it] 934it [21:30, 1.35s/it] 935it [21:31, 1.36s/it] 936it [21:33, 1.36s/it] 937it [21:34, 1.36s/it] 938it [21:35, 1.35s/it] 939it [21:37, 1.35s/it] 940it [21:38, 1.37s/it] 941it [21:39, 1.37s/it] 942it [21:41, 1.36s/it] 943it [21:42, 1.36s/it] 944it [21:43, 1.36s/it] 945it [21:45, 1.37s/it] 946it [21:46, 1.36s/it] 947it [21:48, 1.36s/it] 948it [21:49, 1.36s/it] 949it [21:50, 1.37s/it] 950it [21:52, 1.37s/it] 951it [21:53, 1.37s/it] 952it [21:54, 1.37s/it] 953it [21:56, 1.36s/it] 954it [21:57, 1.37s/it] 955it [21:59, 1.37s/it] 956it [22:00, 1.37s/it] 957it [22:01, 1.37s/it] 958it [22:03, 1.37s/it] 959it [22:04, 1.37s/it] 960it [22:05, 1.37s/it] 961it [22:07, 1.37s/it] 962it [22:08, 1.37s/it] 963it [22:09, 1.37s/it] 964it [22:11, 1.37s/it] 965it [22:12, 1.37s/it] 966it [22:14, 1.37s/it] 967it [22:15, 1.37s/it] 968it [22:16, 1.37s/it] 969it [22:18, 1.37s/it] 970it [22:19, 1.37s/it] 971it [22:20, 1.37s/it] 972it [22:22, 1.37s/it] 973it [22:23, 1.36s/it] 974it [22:24, 1.36s/it] 975it [22:26, 1.36s/it] 976it [22:27, 1.36s/it] 977it [22:29, 1.36s/it] 978it [22:30, 1.35s/it] 979it [22:31, 1.35s/it] 980it [22:33, 1.35s/it] 981it [22:34, 1.35s/it] 982it [22:35, 1.35s/it] 983it [22:37, 1.35s/it] 984it [22:38, 1.35s/it] 985it [22:39, 1.34s/it] 986it [22:41, 1.34s/it] 987it [22:42, 1.34s/it] 988it [22:43, 1.33s/it] 989it [22:45, 1.33s/it] 990it [22:46, 1.33s/it] 991it [22:47, 1.33s/it] 992it [22:49, 1.32s/it] 993it [22:50, 1.32s/it] 994it [22:51, 1.31s/it] 995it [22:52, 1.31s/it] 996it [22:54, 1.32s/it] 997it [22:55, 1.31s/it] 998it [22:56, 1.31s/it] 999it [22:58, 1.31s/it] 1000it [22:59, 1.31s/it] 1000it [22:59, 1.38s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:18.356896 +⏰ Completed process in 0:23:00.141231 diff --git a/chunked/d4-dock_048.csv.gz b/chunked/d4-dock_048.csv.gz index a37197b713f638191cdb0de5d48e053ac4e78b87..386b09175a6f40d8c3ded7a69f0987796e4a8161 100644 --- a/chunked/d4-dock_048.csv.gz +++ b/chunked/d4-dock_048.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:cec36c8c1360ebbaf23c7b88c7ec815acf34bc29648c9ce09184e47032f727fc -size 34298422 +oid sha256:96563896f7f75dfb79b8bc94b85c183e7ccfa2ec6aecb615f612db796b467f2a +size 34298447 diff --git a/chunked/d4-dock_048.log b/chunked/d4-dock_048.log index c0128b6892035c74cae0463fd5b9a38d39c4601c..f90e80af02f729c4d1782714cd539af91b7de1c6 100644 --- a/chunked/d4-dock_048.log +++ b/chunked/d4-dock_048.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.35s/it] 2it [00:02, 1.34s/it] 3it [00:03, 1.33s/it] 4it [00:05, 1.33s/it] 5it [00:06, 1.32s/it] 6it [00:07, 1.33s/it] 7it [00:09, 1.31s/it] 8it [00:10, 1.32s/it] 9it [00:11, 1.31s/it] 10it [00:13, 1.31s/it] 11it [00:14, 1.31s/it] 12it [00:15, 1.31s/it] 13it [00:17, 1.31s/it] 14it [00:18, 1.31s/it] 15it [00:19, 1.31s/it] 16it [00:21, 1.31s/it] 17it [00:22, 1.31s/it] 18it [00:23, 1.31s/it] 19it [00:24, 1.31s/it] 20it [00:26, 1.32s/it] 21it [00:27, 1.32s/it] 22it [00:28, 1.32s/it] 23it [00:30, 1.32s/it] 24it [00:31, 1.32s/it] 25it [00:32, 1.32s/it] 26it [00:34, 1.32s/it] 27it [00:35, 1.32s/it] 28it [00:36, 1.32s/it] 29it [00:38, 1.32s/it] 30it [00:39, 1.32s/it] 31it [00:40, 1.32s/it] 32it [00:42, 1.32s/it] 33it [00:43, 1.32s/it] 34it [00:44, 1.32s/it] 35it [00:46, 1.32s/it] 36it [00:47, 1.32s/it] 37it [00:48, 1.32s/it] 38it [00:50, 1.33s/it] 39it [00:51, 1.33s/it] 40it [00:52, 1.33s/it] 41it [00:54, 1.32s/it] 42it [00:55, 1.33s/it] 43it [00:56, 1.33s/it] 44it [00:58, 1.32s/it] 45it [00:59, 1.32s/it] 46it [01:00, 1.32s/it] 47it [01:01, 1.31s/it] 48it 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1.34s/it] 755it [16:57, 1.34s/it] 756it [16:58, 1.35s/it] 757it [16:59, 1.35s/it] 758it [17:01, 1.35s/it] 759it [17:02, 1.35s/it] 760it [17:03, 1.36s/it] 761it [17:05, 1.36s/it] 762it [17:06, 1.36s/it] 763it [17:07, 1.36s/it] 764it [17:09, 1.35s/it] 765it [17:10, 1.35s/it] 766it [17:12, 1.35s/it] 767it [17:13, 1.35s/it] 768it [17:14, 1.37s/it] 769it [17:16, 1.38s/it] 770it [17:17, 1.38s/it] 771it [17:18, 1.37s/it] 772it [17:20, 1.36s/it] 773it [17:21, 1.36s/it] 774it [17:22, 1.35s/it] 775it [17:24, 1.35s/it] 776it [17:25, 1.35s/it] 777it [17:27, 1.35s/it] 778it [17:28, 1.35s/it] 779it [17:29, 1.35s/it] 780it [17:31, 1.35s/it] 781it [17:32, 1.36s/it] 782it [17:33, 1.36s/it] 783it [17:35, 1.36s/it] 784it [17:36, 1.36s/it] 785it [17:37, 1.36s/it] 786it [17:39, 1.34s/it] 787it [17:40, 1.32s/it] 788it [17:41, 1.32s/it] 789it [17:43, 1.31s/it] 790it [17:44, 1.30s/it] 791it [17:45, 1.29s/it] 792it [17:46, 1.29s/it] 793it [17:48, 1.29s/it] 794it [17:49, 1.29s/it] 795it [17:50, 1.30s/it] 796it [17:52, 1.30s/it] 797it [17:53, 1.31s/it] 798it [17:54, 1.31s/it] 799it [17:56, 1.31s/it] 800it [17:57, 1.31s/it] 801it [17:58, 1.31s/it] 802it [17:59, 1.30s/it] 803it [18:01, 1.30s/it] 804it [18:02, 1.30s/it] 805it [18:03, 1.29s/it] 806it [18:05, 1.29s/it] 807it [18:06, 1.29s/it] 808it [18:07, 1.29s/it] 809it [18:08, 1.30s/it] 810it [18:10, 1.30s/it] 811it [18:11, 1.30s/it] 812it [18:12, 1.29s/it] 813it [18:14, 1.28s/it] 814it [18:15, 1.28s/it] 815it [18:16, 1.29s/it] 816it [18:18, 1.31s/it] 817it [18:19, 1.32s/it] 818it [18:20, 1.31s/it] 819it [18:22, 1.31s/it] 820it [18:23, 1.30s/it] 821it [18:24, 1.30s/it] 822it [18:25, 1.31s/it] 823it [18:27, 1.31s/it] 824it [18:28, 1.30s/it] 825it [18:29, 1.30s/it] 826it [18:31, 1.30s/it] 827it [18:32, 1.30s/it] 828it [18:33, 1.30s/it] 829it [18:35, 1.30s/it] 830it [18:36, 1.30s/it] 831it [18:37, 1.30s/it] 832it [18:38, 1.29s/it] 833it [18:40, 1.29s/it] 834it [18:41, 1.29s/it] 835it [18:42, 1.30s/it] 836it [18:44, 1.32s/it] 837it [18:45, 1.32s/it] 838it [18:46, 1.31s/it] 839it [18:48, 1.30s/it] 840it [18:49, 1.29s/it] 841it [18:50, 1.30s/it] 842it [18:51, 1.30s/it] 843it [18:53, 1.30s/it] 844it [18:54, 1.31s/it] 845it [18:55, 1.33s/it] 846it [18:57, 1.33s/it] 847it [18:58, 1.33s/it] 848it [18:59, 1.33s/it] 849it [19:01, 1.32s/it] 850it [19:02, 1.31s/it] 851it [19:03, 1.31s/it] 852it [19:05, 1.32s/it] 853it [19:06, 1.32s/it] 854it [19:07, 1.33s/it] 855it [19:09, 1.33s/it] 856it [19:10, 1.33s/it] 857it [19:11, 1.33s/it] 858it [19:13, 1.34s/it] 859it [19:14, 1.35s/it] 860it [19:15, 1.34s/it] 861it [19:17, 1.34s/it] 862it [19:18, 1.35s/it] 863it [19:19, 1.35s/it] 864it [19:21, 1.35s/it] 865it [19:22, 1.35s/it] 866it [19:23, 1.35s/it] 867it [19:25, 1.34s/it] 868it [19:26, 1.34s/it] 869it [19:27, 1.34s/it] 870it [19:29, 1.34s/it] 871it [19:30, 1.35s/it] 872it [19:32, 1.35s/it] 873it [19:33, 1.35s/it] 874it [19:34, 1.34s/it] 875it [19:36, 1.34s/it] 876it [19:37, 1.33s/it] 877it [19:38, 1.33s/it] 878it [19:40, 1.33s/it] 879it [19:41, 1.34s/it] 880it [19:42, 1.34s/it] 881it [19:44, 1.34s/it] 882it [19:45, 1.34s/it] 883it [19:46, 1.35s/it] 884it [19:48, 1.36s/it] 885it [19:49, 1.36s/it] 886it [19:50, 1.36s/it] 887it [19:52, 1.37s/it] 888it [19:53, 1.36s/it] 889it [19:54, 1.37s/it] 890it [19:56, 1.37s/it] 891it [19:57, 1.37s/it] 892it [19:59, 1.37s/it] 893it [20:00, 1.37s/it] 894it [20:01, 1.37s/it] 895it [20:03, 1.37s/it] 896it [20:04, 1.37s/it] 897it [20:05, 1.35s/it] 898it [20:07, 1.34s/it] 899it [20:08, 1.34s/it] 900it [20:09, 1.33s/it] 901it [20:11, 1.33s/it] 902it [20:12, 1.33s/it] 903it [20:13, 1.32s/it] 904it [20:15, 1.32s/it] 905it [20:16, 1.32s/it] 906it [20:17, 1.32s/it] 907it [20:19, 1.33s/it] 908it [20:20, 1.34s/it] 909it [20:21, 1.33s/it] 910it [20:23, 1.33s/it] 911it [20:24, 1.33s/it] 912it [20:25, 1.33s/it] 913it [20:27, 1.33s/it] 914it [20:28, 1.33s/it] 915it [20:29, 1.33s/it] 916it [20:31, 1.32s/it] 917it [20:32, 1.31s/it] 918it [20:33, 1.32s/it] 919it [20:35, 1.32s/it] 920it [20:36, 1.33s/it] 921it [20:37, 1.34s/it] 922it [20:39, 1.33s/it] 923it [20:40, 1.32s/it] 924it [20:41, 1.32s/it] 925it [20:42, 1.33s/it] 926it [20:44, 1.33s/it] 927it [20:45, 1.33s/it] 928it [20:47, 1.34s/it] 929it [20:48, 1.34s/it] 930it [20:49, 1.35s/it] 931it [20:51, 1.35s/it] 932it [20:52, 1.34s/it] 933it [20:53, 1.33s/it] 934it [20:55, 1.33s/it] 935it [20:56, 1.33s/it] 936it [20:57, 1.33s/it] 937it [20:59, 1.33s/it] 938it [21:00, 1.33s/it] 939it [21:01, 1.33s/it] 940it [21:03, 1.33s/it] 941it [21:04, 1.32s/it] 942it [21:05, 1.31s/it] 943it [21:06, 1.31s/it] 944it [21:08, 1.31s/it] 945it [21:09, 1.30s/it] 946it [21:10, 1.30s/it] 947it [21:12, 1.30s/it] 948it [21:13, 1.29s/it] 949it [21:14, 1.30s/it] 950it [21:16, 1.31s/it] 951it [21:17, 1.32s/it] 952it [21:18, 1.33s/it] 953it [21:20, 1.33s/it] 954it [21:21, 1.34s/it] 955it [21:22, 1.34s/it] 956it [21:24, 1.33s/it] 957it [21:25, 1.33s/it] 958it [21:26, 1.33s/it] 959it [21:28, 1.32s/it] 960it [21:29, 1.32s/it] 961it [21:30, 1.32s/it] 962it [21:31, 1.31s/it] 963it [21:33, 1.33s/it] 964it [21:34, 1.33s/it] 965it [21:35, 1.33s/it] 966it [21:37, 1.32s/it] 967it [21:38, 1.32s/it] 968it [21:39, 1.32s/it] 969it [21:41, 1.32s/it] 970it [21:42, 1.32s/it] 971it [21:43, 1.32s/it] 972it [21:45, 1.32s/it] 973it [21:46, 1.32s/it] 974it [21:47, 1.31s/it] 975it [21:49, 1.32s/it] 976it [21:50, 1.32s/it] 977it [21:51, 1.31s/it] 978it [21:53, 1.31s/it] 979it [21:54, 1.30s/it] 980it [21:55, 1.31s/it] 981it [21:56, 1.30s/it] 982it [21:58, 1.31s/it] 983it [21:59, 1.31s/it] 984it [22:00, 1.31s/it] 985it [22:02, 1.30s/it] 986it [22:03, 1.30s/it] 987it [22:04, 1.31s/it] 988it [22:06, 1.31s/it] 989it [22:07, 1.32s/it] 990it [22:08, 1.32s/it] 991it [22:10, 1.32s/it] 992it [22:11, 1.32s/it] 993it [22:12, 1.32s/it] 994it [22:14, 1.32s/it] 995it [22:15, 1.33s/it] 996it [22:16, 1.33s/it] 997it [22:18, 1.34s/it] 998it [22:19, 1.35s/it] 999it [22:20, 1.36s/it] 1000it [22:22, 1.36s/it] 1000it [22:22, 1.34s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:15.302204 +⏰ Completed process in 0:22:22.788572 diff --git a/chunked/d4-dock_049.csv.gz b/chunked/d4-dock_049.csv.gz index 6cb666a69b16af9fdd85b8dcd3157d1954c137cb..512c602016773a155dcdede57fac2fba2e74edf1 100644 --- a/chunked/d4-dock_049.csv.gz +++ b/chunked/d4-dock_049.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:38a6c07e64b689a0f5151dcca4e4f7083135d8a58c0e2c040102dcd9092e87e6 -size 34775279 +oid sha256:553af896cdb64a8ab8d52e2a9f929ba07669c6643f22734e8335c84df2bae8ea +size 34775283 diff --git a/chunked/d4-dock_049.log b/chunked/d4-dock_049.log index 5d0313ad573fad321371266a0207f4bb402e366e..099851914186e7535b44a6d9503fff04dad92241 100644 --- a/chunked/d4-dock_049.log +++ b/chunked/d4-dock_049.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.36s/it] 2it [00:02, 1.35s/it] 3it [00:04, 1.36s/it] 4it [00:05, 1.35s/it] 5it [00:06, 1.34s/it] 6it [00:08, 1.34s/it] 7it [00:09, 1.34s/it] 8it [00:10, 1.33s/it] 9it [00:12, 1.34s/it] 10it [00:13, 1.34s/it] 11it [00:14, 1.35s/it] 12it [00:16, 1.34s/it] 13it [00:17, 1.34s/it] 14it [00:18, 1.34s/it] 15it [00:20, 1.34s/it] 16it [00:21, 1.34s/it] 17it [00:22, 1.34s/it] 18it [00:24, 1.34s/it] 19it [00:25, 1.33s/it] 20it [00:26, 1.34s/it] 21it [00:28, 1.34s/it] 22it [00:29, 1.34s/it] 23it [00:30, 1.34s/it] 24it [00:32, 1.35s/it] 25it [00:33, 1.35s/it] 26it [00:34, 1.35s/it] 27it [00:36, 1.35s/it] 28it [00:37, 1.34s/it] 29it [00:38, 1.34s/it] 30it [00:40, 1.34s/it] 31it [00:41, 1.33s/it] 32it [00:42, 1.33s/it] 33it [00:44, 1.35s/it] 34it [00:45, 1.34s/it] 35it [00:46, 1.33s/it] 36it [00:48, 1.32s/it] 37it [00:49, 1.33s/it] 38it [00:50, 1.33s/it] 39it [00:52, 1.33s/it] 40it [00:53, 1.33s/it] 41it [00:54, 1.33s/it] 42it [00:56, 1.34s/it] 43it [00:57, 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[19:29, 1.34s/it] 875it [19:31, 1.34s/it] 876it [19:32, 1.33s/it] 877it [19:33, 1.34s/it] 878it [19:35, 1.35s/it] 879it [19:36, 1.35s/it] 880it [19:37, 1.35s/it] 881it [19:39, 1.34s/it] 882it [19:40, 1.34s/it] 883it [19:41, 1.35s/it] 884it [19:43, 1.35s/it] 885it [19:44, 1.34s/it] 886it [19:45, 1.33s/it] 887it [19:47, 1.33s/it] 888it [19:48, 1.32s/it] 889it [19:49, 1.33s/it] 890it [19:51, 1.34s/it] 891it [19:52, 1.34s/it] 892it [19:53, 1.34s/it] 893it [19:55, 1.34s/it] 894it [19:56, 1.34s/it] 895it [19:57, 1.33s/it] 896it [19:59, 1.34s/it] 897it [20:00, 1.35s/it] 898it [20:01, 1.34s/it] 899it [20:03, 1.33s/it] 900it [20:04, 1.34s/it] 901it [20:05, 1.32s/it] 902it [20:07, 1.32s/it] 903it [20:08, 1.32s/it] 904it [20:09, 1.33s/it] 905it [20:11, 1.32s/it] 906it [20:12, 1.31s/it] 907it [20:13, 1.31s/it] 908it [20:15, 1.32s/it] 909it [20:16, 1.32s/it] 910it [20:17, 1.31s/it] 911it [20:18, 1.30s/it] 912it [20:20, 1.31s/it] 913it [20:21, 1.33s/it] 914it [20:22, 1.32s/it] 915it [20:24, 1.32s/it] 916it [20:25, 1.32s/it] 917it [20:26, 1.31s/it] 918it [20:28, 1.32s/it] 919it [20:29, 1.33s/it] 920it [20:30, 1.33s/it] 921it [20:32, 1.32s/it] 922it [20:33, 1.31s/it] 923it [20:34, 1.31s/it] 924it [20:36, 1.32s/it] 925it [20:37, 1.32s/it] 926it [20:38, 1.31s/it] 927it [20:40, 1.32s/it] 928it [20:41, 1.32s/it] 929it [20:42, 1.32s/it] 930it [20:44, 1.32s/it] 931it [20:45, 1.32s/it] 932it [20:46, 1.31s/it] 933it [20:47, 1.31s/it] 934it [20:49, 1.32s/it] 935it [20:50, 1.31s/it] 936it [20:51, 1.30s/it] 937it [20:53, 1.30s/it] 938it [20:54, 1.31s/it] 939it [20:55, 1.32s/it] 940it [20:57, 1.32s/it] 941it [20:58, 1.32s/it] 942it [20:59, 1.33s/it] 943it [21:01, 1.33s/it] 944it [21:02, 1.32s/it] 945it [21:03, 1.32s/it] 946it [21:05, 1.33s/it] 947it [21:06, 1.33s/it] 948it [21:07, 1.33s/it] 949it [21:09, 1.33s/it] 950it [21:10, 1.32s/it] 951it [21:11, 1.33s/it] 952it [21:13, 1.32s/it] 953it [21:14, 1.31s/it] 954it [21:15, 1.31s/it] 955it [21:16, 1.31s/it] 956it [21:18, 1.30s/it] 957it [21:19, 1.31s/it] 958it [21:20, 1.34s/it] 959it [21:22, 1.34s/it] 960it [21:23, 1.34s/it] 961it [21:24, 1.33s/it] 962it [21:26, 1.32s/it] 963it [21:27, 1.30s/it] 964it [21:28, 1.31s/it] 965it [21:30, 1.31s/it] 966it [21:31, 1.30s/it] 967it [21:32, 1.31s/it] 968it [21:34, 1.32s/it] 969it [21:35, 1.32s/it] 970it [21:36, 1.30s/it] 971it [21:37, 1.30s/it] 972it [21:39, 1.29s/it] 973it [21:40, 1.29s/it] 974it [21:41, 1.28s/it] 975it [21:42, 1.25s/it] 976it [21:44, 1.26s/it] 977it [21:45, 1.27s/it] 978it [21:46, 1.28s/it] 979it [21:48, 1.27s/it] 980it [21:49, 1.27s/it] 981it [21:50, 1.28s/it] 982it [21:51, 1.27s/it] 983it [21:53, 1.28s/it] 984it [21:54, 1.27s/it] 985it [21:55, 1.27s/it] 986it [21:57, 1.27s/it] 987it [21:58, 1.28s/it] 988it [21:59, 1.26s/it] 989it [22:00, 1.27s/it] 990it [22:02, 1.27s/it] 991it [22:03, 1.28s/it] 992it [22:04, 1.28s/it] 993it [22:05, 1.28s/it] 994it [22:07, 1.29s/it] 995it [22:08, 1.30s/it] 996it [22:09, 1.30s/it] 997it [22:11, 1.30s/it] 998it [22:12, 1.30s/it] 999it [22:13, 1.30s/it] 1000it [22:15, 1.30s/it] 1000it [22:15, 1.34s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:09.099127 +⏰ Completed process in 0:22:15.660291 diff --git a/chunked/d4-dock_050.csv.gz b/chunked/d4-dock_050.csv.gz index 2de7399db328fec5c5882efabebe5a9ca3efe099..642fadc74bb11d227f1ea5f65a88ff86b64cfb4d 100644 --- a/chunked/d4-dock_050.csv.gz +++ b/chunked/d4-dock_050.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:fafec34c5532484b69967e907531696b9391ceddd114a7e0da5b4bf6ff130116 -size 34430640 +oid sha256:0ddb903bfaeee091a0ed7f5f1143776cdbe0ef2232d68c1b3bdf9f52d6147b18 +size 34430666 diff --git a/chunked/d4-dock_050.log b/chunked/d4-dock_050.log index 838236ac19ed62ac697e6f90bda8714141f9bec5..9882d984eac384d43141ced08ad01e724bdbd505 100644 --- a/chunked/d4-dock_050.log +++ b/chunked/d4-dock_050.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.34s/it] 2it [00:02, 1.32s/it] 3it [00:03, 1.32s/it] 4it [00:05, 1.33s/it] 5it [00:06, 1.33s/it] 6it [00:07, 1.34s/it] 7it [00:09, 1.33s/it] 8it [00:10, 1.33s/it] 9it [00:11, 1.33s/it] 10it [00:13, 1.32s/it] 11it [00:14, 1.32s/it] 12it [00:15, 1.32s/it] 13it [00:17, 1.34s/it] 14it [00:18, 1.35s/it] 15it [00:19, 1.34s/it] 16it [00:21, 1.33s/it] 17it [00:22, 1.33s/it] 18it [00:23, 1.32s/it] 19it [00:25, 1.33s/it] 20it [00:26, 1.32s/it] 21it [00:27, 1.34s/it] 22it [00:29, 1.34s/it] 23it [00:30, 1.32s/it] 24it [00:31, 1.32s/it] 25it [00:33, 1.31s/it] 26it [00:34, 1.32s/it] 27it [00:35, 1.32s/it] 28it [00:37, 1.32s/it] 29it [00:38, 1.30s/it] 30it [00:39, 1.31s/it] 31it [00:41, 1.32s/it] 32it [00:42, 1.34s/it] 33it [00:43, 1.34s/it] 34it [00:45, 1.35s/it] 35it [00:46, 1.34s/it] 36it [00:47, 1.36s/it] 37it [00:49, 1.35s/it] 38it 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1.30s/it] 662it [14:18, 1.31s/it] 663it [14:20, 1.31s/it] 664it [14:21, 1.31s/it] 665it [14:22, 1.31s/it] 666it [14:24, 1.31s/it] 667it [14:25, 1.31s/it] 668it [14:26, 1.32s/it] 669it [14:28, 1.32s/it] 670it [14:29, 1.32s/it] 671it [14:30, 1.32s/it] 672it [14:32, 1.32s/it] 673it [14:33, 1.32s/it] 674it [14:34, 1.32s/it] 675it [14:35, 1.31s/it] 676it [14:37, 1.31s/it] 677it [14:38, 1.31s/it] 678it [14:39, 1.31s/it] 679it [14:41, 1.31s/it] 680it [14:42, 1.31s/it] 681it [14:43, 1.31s/it] 682it [14:45, 1.31s/it] 683it [14:46, 1.31s/it] 684it [14:47, 1.31s/it] 685it [14:49, 1.30s/it] 686it [14:50, 1.30s/it] 687it [14:51, 1.30s/it] 688it [14:52, 1.30s/it] 689it [14:54, 1.30s/it] 690it [14:55, 1.31s/it] 691it [14:56, 1.31s/it] 692it [14:58, 1.31s/it] 693it [14:59, 1.31s/it] 694it [15:01, 1.42s/it] 695it [15:03, 1.58s/it] 696it [15:05, 1.68s/it] 697it [15:06, 1.75s/it] 698it [15:08, 1.79s/it] 699it [15:10, 1.83s/it] 700it [15:12, 1.87s/it] 701it [15:14, 1.86s/it] 702it [15:15, 1.70s/it] 703it [15:17, 1.58s/it] 704it [15:18, 1.50s/it] 705it [15:19, 1.44s/it] 706it [15:21, 1.40s/it] 707it [15:22, 1.37s/it] 708it [15:23, 1.35s/it] 709it [15:25, 1.34s/it] 710it [15:26, 1.33s/it] 711it [15:27, 1.32s/it] 712it [15:28, 1.31s/it] 713it [15:30, 1.31s/it] 714it [15:31, 1.31s/it] 715it [15:32, 1.31s/it] 716it [15:34, 1.32s/it] 717it [15:35, 1.32s/it] 718it [15:36, 1.31s/it] 719it [15:38, 1.31s/it] 720it [15:39, 1.32s/it] 721it [15:40, 1.32s/it] 722it [15:42, 1.32s/it] 723it [15:43, 1.32s/it] 724it [15:44, 1.32s/it] 725it [15:46, 1.32s/it] 726it [15:47, 1.31s/it] 727it [15:48, 1.31s/it] 728it [15:49, 1.30s/it] 729it [15:51, 1.31s/it] 730it [15:52, 1.31s/it] 731it [15:53, 1.32s/it] 732it [15:55, 1.32s/it] 733it [15:56, 1.32s/it] 734it [15:57, 1.33s/it] 735it [15:59, 1.33s/it] 736it [16:00, 1.33s/it] 737it [16:01, 1.33s/it] 738it [16:03, 1.33s/it] 739it [16:04, 1.33s/it] 740it [16:05, 1.34s/it] 741it [16:07, 1.34s/it] 742it [16:08, 1.34s/it] 743it [16:09, 1.34s/it] 744it [16:11, 1.33s/it] 745it [16:12, 1.32s/it] 746it [16:13, 1.31s/it] 747it [16:15, 1.31s/it] 748it [16:16, 1.31s/it] 749it [16:17, 1.31s/it] 750it [16:19, 1.32s/it] 751it [16:20, 1.31s/it] 752it [16:21, 1.31s/it] 753it [16:22, 1.31s/it] 754it [16:24, 1.31s/it] 755it [16:25, 1.31s/it] 756it [16:26, 1.31s/it] 757it [16:28, 1.31s/it] 758it [16:29, 1.31s/it] 759it [16:30, 1.32s/it] 760it [16:32, 1.32s/it] 761it [16:33, 1.32s/it] 762it [16:34, 1.31s/it] 763it [16:36, 1.32s/it] 764it [16:37, 1.32s/it] 765it [16:38, 1.32s/it] 766it [16:40, 1.32s/it] 767it [16:41, 1.32s/it] 768it [16:42, 1.32s/it] 769it [16:44, 1.32s/it] 770it [16:45, 1.32s/it] 771it [16:46, 1.32s/it] 772it [16:48, 1.32s/it] 773it [16:49, 1.32s/it] 774it [16:50, 1.31s/it] 775it [16:51, 1.31s/it] 776it [16:53, 1.30s/it] 777it [16:54, 1.31s/it] 778it [16:55, 1.31s/it] 779it [16:57, 1.31s/it] 780it [16:58, 1.32s/it] 781it [16:59, 1.32s/it] 782it [17:01, 1.32s/it] 783it [17:02, 1.32s/it] 784it [17:03, 1.32s/it] 785it [17:05, 1.32s/it] 786it [17:06, 1.32s/it] 787it [17:07, 1.32s/it] 788it [17:09, 1.32s/it] 789it [17:10, 1.32s/it] 790it [17:11, 1.32s/it] 791it [17:13, 1.32s/it] 792it [17:14, 1.32s/it] 793it [17:15, 1.32s/it] 794it [17:17, 1.33s/it] 795it [17:18, 1.33s/it] 796it [17:19, 1.32s/it] 797it [17:20, 1.32s/it] 798it [17:22, 1.32s/it] 799it [17:23, 1.32s/it] 800it [17:24, 1.31s/it] 801it [17:26, 1.31s/it] 802it [17:27, 1.32s/it] 803it [17:28, 1.32s/it] 804it [17:30, 1.33s/it] 805it [17:31, 1.33s/it] 806it [17:32, 1.33s/it] 807it [17:34, 1.33s/it] 808it [17:35, 1.33s/it] 809it [17:36, 1.33s/it] 810it [17:38, 1.33s/it] 811it [17:39, 1.33s/it] 812it [17:40, 1.32s/it] 813it [17:42, 1.32s/it] 814it [17:43, 1.32s/it] 815it [17:44, 1.32s/it] 816it [17:46, 1.32s/it] 817it [17:47, 1.32s/it] 818it [17:48, 1.32s/it] 819it [17:50, 1.31s/it] 820it [17:51, 1.31s/it] 821it [17:52, 1.31s/it] 822it [17:53, 1.31s/it] 823it [17:55, 1.31s/it] 824it [17:56, 1.31s/it] 825it [17:57, 1.32s/it] 826it [17:59, 1.32s/it] 827it [18:00, 1.33s/it] 828it [18:01, 1.33s/it] 829it [18:03, 1.32s/it] 830it [18:04, 1.32s/it] 831it [18:05, 1.32s/it] 832it [18:07, 1.32s/it] 833it [18:08, 1.31s/it] 834it [18:09, 1.31s/it] 835it [18:11, 1.31s/it] 836it [18:12, 1.31s/it] 837it [18:13, 1.31s/it] 838it [18:15, 1.31s/it] 839it [18:16, 1.30s/it] 840it [18:17, 1.30s/it] 841it [18:18, 1.31s/it] 842it [18:20, 1.32s/it] 843it [18:21, 1.32s/it] 844it [18:22, 1.33s/it] 845it [18:24, 1.33s/it] 846it [18:25, 1.33s/it] 847it [18:26, 1.33s/it] 848it [18:28, 1.33s/it] 849it [18:29, 1.33s/it] 850it [18:30, 1.33s/it] 851it [18:32, 1.33s/it] 852it [18:33, 1.33s/it] 853it [18:34, 1.33s/it] 854it [18:36, 1.33s/it] 855it [18:37, 1.33s/it] 856it [18:38, 1.33s/it] 857it [18:40, 1.32s/it] 858it [18:41, 1.32s/it] 859it [18:42, 1.32s/it] 860it [18:44, 1.32s/it] 861it [18:45, 1.31s/it] 862it [18:46, 1.32s/it] 863it [18:48, 1.32s/it] 864it [18:49, 1.32s/it] 865it [18:50, 1.32s/it] 866it [18:52, 1.32s/it] 867it [18:53, 1.32s/it] 868it [18:54, 1.32s/it] 869it [18:56, 1.32s/it] 870it [18:57, 1.32s/it] 871it [18:58, 1.38s/it] 872it [19:00, 1.53s/it] 873it [19:02, 1.63s/it] 874it [19:04, 1.70s/it] 875it [19:06, 1.74s/it] 876it [19:08, 1.77s/it] 877it [19:09, 1.79s/it] 878it [19:11, 1.81s/it] 879it [19:13, 1.80s/it] 880it [19:15, 1.80s/it] 881it [19:17, 1.80s/it] 882it [19:18, 1.72s/it] 883it [19:20, 1.59s/it] 884it [19:21, 1.50s/it] 885it [19:22, 1.44s/it] 886it [19:23, 1.41s/it] 887it [19:25, 1.38s/it] 888it [19:26, 1.36s/it] 889it [19:27, 1.35s/it] 890it [19:29, 1.34s/it] 891it [19:30, 1.33s/it] 892it [19:31, 1.33s/it] 893it [19:33, 1.33s/it] 894it [19:34, 1.32s/it] 895it [19:35, 1.31s/it] 896it [19:37, 1.31s/it] 897it [19:38, 1.31s/it] 898it [19:39, 1.31s/it] 899it [19:41, 1.32s/it] 900it [19:42, 1.32s/it] 901it [19:43, 1.33s/it] 902it [19:44, 1.31s/it] 903it [19:46, 1.31s/it] 904it [19:47, 1.31s/it] 905it [19:48, 1.32s/it] 906it [19:50, 1.32s/it] 907it [19:51, 1.31s/it] 908it [19:52, 1.31s/it] 909it [19:54, 1.31s/it] 910it [19:55, 1.32s/it] 911it [19:56, 1.32s/it] 912it [19:58, 1.32s/it] 913it [19:59, 1.32s/it] 914it [20:00, 1.32s/it] 915it [20:02, 1.32s/it] 916it [20:03, 1.33s/it] 917it [20:04, 1.33s/it] 918it [20:06, 1.33s/it] 919it [20:07, 1.31s/it] 920it [20:08, 1.30s/it] 921it [20:09, 1.30s/it] 922it [20:11, 1.31s/it] 923it [20:12, 1.31s/it] 924it [20:13, 1.30s/it] 925it [20:15, 1.30s/it] 926it [20:16, 1.31s/it] 927it [20:17, 1.31s/it] 928it [20:19, 1.31s/it] 929it [20:20, 1.31s/it] 930it [20:21, 1.30s/it] 931it [20:23, 1.30s/it] 932it [20:24, 1.30s/it] 933it [20:25, 1.31s/it] 934it [20:26, 1.31s/it] 935it [20:28, 1.30s/it] 936it [20:29, 1.31s/it] 937it [20:30, 1.31s/it] 938it [20:32, 1.31s/it] 939it [20:33, 1.31s/it] 940it [20:34, 1.31s/it] 941it [20:36, 1.31s/it] 942it [20:37, 1.30s/it] 943it [20:38, 1.29s/it] 944it [20:39, 1.30s/it] 945it [20:41, 1.30s/it] 946it [20:42, 1.31s/it] 947it [20:43, 1.31s/it] 948it [20:45, 1.30s/it] 949it [20:46, 1.31s/it] 950it [20:47, 1.31s/it] 951it [20:49, 1.31s/it] 952it [20:50, 1.31s/it] 953it [20:51, 1.31s/it] 954it [20:53, 1.31s/it] 955it [20:54, 1.32s/it] 956it [20:55, 1.32s/it] 957it [20:57, 1.31s/it] 958it [20:58, 1.30s/it] 959it [20:59, 1.31s/it] 960it [21:00, 1.31s/it] 961it [21:02, 1.32s/it] 962it [21:03, 1.32s/it] 963it [21:04, 1.32s/it] 964it [21:06, 1.32s/it] 965it [21:07, 1.33s/it] 966it [21:08, 1.32s/it] 967it [21:10, 1.33s/it] 968it [21:11, 1.32s/it] 969it [21:12, 1.33s/it] 970it [21:14, 1.33s/it] 971it [21:15, 1.33s/it] 972it [21:16, 1.33s/it] 973it [21:18, 1.34s/it] 974it [21:19, 1.33s/it] 975it [21:20, 1.33s/it] 976it [21:22, 1.33s/it] 977it [21:23, 1.33s/it] 978it [21:24, 1.33s/it] 979it [21:26, 1.33s/it] 980it [21:27, 1.32s/it] 981it [21:28, 1.32s/it] 982it [21:30, 1.32s/it] 983it [21:31, 1.33s/it] 984it [21:32, 1.33s/it] 985it [21:34, 1.33s/it] 986it [21:35, 1.32s/it] 987it [21:36, 1.31s/it] 988it [21:38, 1.32s/it] 989it [21:39, 1.32s/it] 990it [21:40, 1.32s/it] 991it [21:41, 1.31s/it] 992it [21:43, 1.31s/it] 993it [21:44, 1.30s/it] 994it [21:45, 1.31s/it] 995it [21:47, 1.31s/it] 996it [21:48, 1.31s/it] 997it [21:49, 1.31s/it] 998it [21:51, 1.30s/it] 999it [21:52, 1.29s/it] 1000it [21:53, 1.28s/it] 1000it [21:53, 1.31s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:15.044445 +⏰ Completed process in 0:21:54.099206 diff --git a/chunked/d4-dock_051.csv.gz b/chunked/d4-dock_051.csv.gz index 22ebb782df388174959ed431baa73e33eeed5ff7..3746a2ade3f122a7821d3e67922c58e02c809b08 100644 --- a/chunked/d4-dock_051.csv.gz +++ b/chunked/d4-dock_051.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:0d9fb461e4c9387c316f0a566456472631e8b4e95af9b7ebd657d05e14884d31 -size 35206635 +oid sha256:b1f619e8190a9d4c28629744c7143590d87e93fb1423c859fa9095b8e7113cb4 +size 35206647 diff --git a/chunked/d4-dock_051.log b/chunked/d4-dock_051.log index 6d0c92742a43088eeb173d162c8503d7492b776c..4eda67776d61ecc88a12071548be924979837664 100644 --- a/chunked/d4-dock_051.log +++ b/chunked/d4-dock_051.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.34s/it] 2it [00:02, 1.34s/it] 3it [00:04, 1.34s/it] 4it [00:05, 1.34s/it] 5it [00:06, 1.34s/it] 6it [00:08, 1.34s/it] 7it [00:09, 1.34s/it] 8it [00:10, 1.34s/it] 9it [00:12, 1.34s/it] 10it [00:13, 1.34s/it] 11it [00:14, 1.34s/it] 12it [00:16, 1.33s/it] 13it [00:17, 1.31s/it] 14it [00:18, 1.30s/it] 15it [00:19, 1.30s/it] 16it [00:21, 1.30s/it] 17it [00:22, 1.30s/it] 18it [00:23, 1.30s/it] 19it [00:25, 1.30s/it] 20it [00:26, 1.30s/it] 21it [00:27, 1.30s/it] 22it [00:29, 1.31s/it] 23it [00:30, 1.30s/it] 24it [00:31, 1.30s/it] 25it [00:32, 1.29s/it] 26it [00:34, 1.30s/it] 27it [00:35, 1.31s/it] 28it [00:36, 1.31s/it] 29it [00:38, 1.31s/it] 30it [00:39, 1.31s/it] 31it [00:40, 1.31s/it] 32it [00:42, 1.31s/it] 33it [00:43, 1.30s/it] 34it [00:44, 1.30s/it] 35it [00:46, 1.31s/it] 36it [00:47, 1.31s/it] 37it [00:48, 1.32s/it] 38it [00:50, 1.33s/it] 39it [00:51, 1.33s/it] 40it [00:52, 1.32s/it] 41it [00:53, 1.31s/it] 42it [00:55, 1.31s/it] 43it [00:56, 1.30s/it] 44it [00:57, 1.30s/it] 45it [00:59, 1.31s/it] 46it [01:00, 1.30s/it] 47it [01:01, 1.31s/it] 48it [01:03, 1.31s/it] 49it [01:04, 1.31s/it] 50it [01:05, 1.31s/it] 51it [01:07, 1.31s/it] 52it [01:08, 1.31s/it] 53it [01:09, 1.31s/it] 54it [01:10, 1.31s/it] 55it [01:12, 1.32s/it] 56it [01:13, 1.32s/it] 57it [01:14, 1.32s/it] 58it [01:16, 1.32s/it] 59it [01:17, 1.32s/it] 60it [01:18, 1.32s/it] 61it [01:20, 1.32s/it] 62it [01:21, 1.31s/it] 63it [01:22, 1.33s/it] 64it [01:24, 1.32s/it] 65it [01:25, 1.32s/it] 66it [01:26, 1.32s/it] 67it [01:28, 1.32s/it] 68it [01:29, 1.32s/it] 69it [01:30, 1.32s/it] 70it [01:32, 1.32s/it] 71it [01:33, 1.32s/it] 72it [01:34, 1.31s/it] 73it [01:36, 1.32s/it] 74it [01:37, 1.31s/it] 75it [01:38, 1.32s/it] 76it 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[21:00, 1.34s/it] 948it [21:01, 1.33s/it] 949it [21:02, 1.33s/it] 950it [21:04, 1.33s/it] 951it [21:05, 1.33s/it] 952it [21:06, 1.33s/it] 953it [21:08, 1.33s/it] 954it [21:09, 1.33s/it] 955it [21:10, 1.33s/it] 956it [21:12, 1.33s/it] 957it [21:13, 1.33s/it] 958it [21:14, 1.32s/it] 959it [21:16, 1.32s/it] 960it [21:17, 1.32s/it] 961it [21:18, 1.32s/it] 962it [21:20, 1.32s/it] 963it [21:21, 1.32s/it] 964it [21:22, 1.32s/it] 965it [21:24, 1.31s/it] 966it [21:25, 1.31s/it] 967it [21:26, 1.31s/it] 968it [21:27, 1.31s/it] 969it [21:29, 1.30s/it] 970it [21:30, 1.31s/it] 971it [21:31, 1.31s/it] 972it [21:33, 1.31s/it] 973it [21:34, 1.31s/it] 974it [21:35, 1.31s/it] 975it [21:37, 1.31s/it] 976it [21:38, 1.31s/it] 977it [21:39, 1.31s/it] 978it [21:41, 1.31s/it] 979it [21:42, 1.31s/it] 980it [21:43, 1.31s/it] 981it [21:45, 1.31s/it] 982it [21:46, 1.31s/it] 983it [21:47, 1.31s/it] 984it [21:48, 1.31s/it] 985it [21:50, 1.31s/it] 986it [21:51, 1.31s/it] 987it [21:52, 1.31s/it] 988it [21:54, 1.32s/it] 989it [21:55, 1.32s/it] 990it [21:56, 1.32s/it] 991it [21:58, 1.32s/it] 992it [21:59, 1.32s/it] 993it [22:00, 1.32s/it] 994it [22:02, 1.33s/it] 995it [22:03, 1.32s/it] 996it [22:04, 1.33s/it] 997it [22:06, 1.32s/it] 998it [22:07, 1.32s/it] 999it [22:08, 1.32s/it] 1000it [22:10, 1.32s/it] 1000it [22:10, 1.33s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:20.504522 +⏰ Completed process in 0:22:10.538195 diff --git a/chunked/d4-dock_052.csv.gz b/chunked/d4-dock_052.csv.gz index 0f1ef0936d7a1e92948747538408279f530fd7fd..e832ffdd440c96f2cf9ff47d276165def7a06f6a 100644 --- a/chunked/d4-dock_052.csv.gz +++ b/chunked/d4-dock_052.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:242e10a8a0ddad169e039d7259679faabcfd3842f6b44f899d001a528ccfd397 -size 35425094 +oid sha256:7843f7dca52c5d8255e4b6e01ff402f1062ea220d18fd6f349efca0e947e25d2 +size 35425038 diff --git a/chunked/d4-dock_052.log b/chunked/d4-dock_052.log index 72107c775281c2120caf8ced791323a7a23e4cf1..50724bef0be5425a2776be1a4b67cd809ed1ec76 100644 --- a/chunked/d4-dock_052.log +++ b/chunked/d4-dock_052.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.36s/it] 2it [00:02, 1.36s/it] 3it [00:04, 1.36s/it] 4it [00:05, 1.35s/it] 5it [00:06, 1.36s/it] 6it [00:08, 1.35s/it] 7it [00:09, 1.35s/it] 8it [00:10, 1.35s/it] 9it [00:12, 1.35s/it] 10it [00:13, 1.35s/it] 11it [00:14, 1.35s/it] 12it [00:16, 1.35s/it] 13it [00:17, 1.35s/it] 14it [00:18, 1.34s/it] 15it [00:20, 1.34s/it] 16it [00:21, 1.33s/it] 17it [00:22, 1.34s/it] 18it [00:24, 1.34s/it] 19it [00:25, 1.34s/it] 20it [00:26, 1.34s/it] 21it [00:28, 1.34s/it] 22it [00:29, 1.34s/it] 23it [00:30, 1.33s/it] 24it [00:32, 1.34s/it] 25it [00:33, 1.33s/it] 26it [00:34, 1.33s/it] 27it [00:36, 1.33s/it] 28it [00:37, 1.33s/it] 29it [00:38, 1.33s/it] 30it [00:40, 1.33s/it] 31it [00:41, 1.33s/it] 32it [00:42, 1.33s/it] 33it [00:44, 1.33s/it] 34it [00:45, 1.34s/it] 35it [00:46, 1.34s/it] 36it [00:48, 1.34s/it] 37it [00:49, 1.35s/it] 38it [00:50, 1.35s/it] 39it [00:52, 1.35s/it] 40it [00:53, 1.35s/it] 41it [00:55, 1.34s/it] 42it [00:56, 1.35s/it] 43it [00:57, 1.34s/it] 44it [00:59, 1.34s/it] 45it [01:00, 1.34s/it] 46it [01:01, 1.34s/it] 47it [01:03, 1.35s/it] 48it [01:04, 1.35s/it] 49it [01:05, 1.35s/it] 50it [01:07, 1.35s/it] 51it [01:08, 1.35s/it] 52it [01:09, 1.34s/it] 53it [01:11, 1.34s/it] 54it [01:12, 1.34s/it] 55it [01:13, 1.34s/it] 56it [01:15, 1.34s/it] 57it [01:16, 1.34s/it] 58it [01:17, 1.34s/it] 59it [01:19, 1.33s/it] 60it [01:20, 1.33s/it] 61it [01:21, 1.33s/it] 62it [01:23, 1.34s/it] 63it [01:24, 1.35s/it] 64it [01:25, 1.35s/it] 65it [01:27, 1.34s/it] 66it [01:28, 1.34s/it] 67it [01:29, 1.33s/it] 68it [01:31, 1.33s/it] 69it [01:32, 1.33s/it] 70it [01:33, 1.34s/it] 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[17:32, 1.34s/it] 777it [17:33, 1.33s/it] 778it [17:34, 1.33s/it] 779it [17:36, 1.34s/it] 780it [17:37, 1.34s/it] 781it [17:38, 1.34s/it] 782it [17:40, 1.34s/it] 783it [17:41, 1.34s/it] 784it [17:42, 1.34s/it] 785it [17:44, 1.35s/it] 786it [17:45, 1.34s/it] 787it [17:46, 1.34s/it] 788it [17:48, 1.34s/it] 789it [17:49, 1.33s/it] 790it [17:50, 1.33s/it] 791it [17:52, 1.33s/it] 792it [17:53, 1.33s/it] 793it [17:54, 1.34s/it] 794it [17:56, 1.34s/it] 795it [17:57, 1.34s/it] 796it [17:58, 1.34s/it] 797it [18:00, 1.34s/it] 798it [18:01, 1.34s/it] 799it [18:02, 1.33s/it] 800it [18:04, 1.32s/it] 801it [18:05, 1.33s/it] 802it [18:06, 1.33s/it] 803it [18:08, 1.32s/it] 804it [18:09, 1.33s/it] 805it [18:10, 1.33s/it] 806it [18:12, 1.33s/it] 807it [18:13, 1.33s/it] 808it [18:14, 1.33s/it] 809it [18:16, 1.33s/it] 810it [18:17, 1.34s/it] 811it [18:18, 1.34s/it] 812it [18:20, 1.34s/it] 813it [18:21, 1.34s/it] 814it [18:22, 1.35s/it] 815it [18:24, 1.34s/it] 816it [18:25, 1.35s/it] 817it [18:26, 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1.36s/it] 901it [20:20, 1.36s/it] 902it [20:21, 1.36s/it] 903it [20:22, 1.36s/it] 904it [20:24, 1.36s/it] 905it [20:25, 1.36s/it] 906it [20:26, 1.37s/it] 907it [20:28, 1.37s/it] 908it [20:29, 1.36s/it] 909it [20:31, 1.36s/it] 910it [20:32, 1.36s/it] 911it [20:33, 1.37s/it] 912it [20:35, 1.37s/it] 913it [20:36, 1.37s/it] 914it [20:37, 1.37s/it] 915it [20:39, 1.37s/it] 916it [20:40, 1.37s/it] 917it [20:42, 1.36s/it] 918it [20:43, 1.37s/it] 919it [20:44, 1.37s/it] 920it [20:46, 1.37s/it] 921it [20:47, 1.37s/it] 922it [20:48, 1.37s/it] 923it [20:50, 1.37s/it] 924it [20:51, 1.37s/it] 925it [20:52, 1.37s/it] 926it [20:54, 1.37s/it] 927it [20:55, 1.37s/it] 928it [20:57, 1.38s/it] 929it [20:58, 1.38s/it] 930it [20:59, 1.37s/it] 931it [21:01, 1.37s/it] 932it [21:02, 1.37s/it] 933it [21:03, 1.37s/it] 934it [21:05, 1.36s/it] 935it [21:06, 1.37s/it] 936it [21:08, 1.37s/it] 937it [21:09, 1.36s/it] 938it [21:10, 1.36s/it] 939it [21:12, 1.35s/it] 940it [21:13, 1.35s/it] 941it [21:14, 1.35s/it] 942it [21:16, 1.35s/it] 943it [21:17, 1.35s/it] 944it [21:18, 1.35s/it] 945it [21:20, 1.36s/it] 946it [21:21, 1.35s/it] 947it [21:22, 1.35s/it] 948it [21:24, 1.35s/it] 949it [21:25, 1.34s/it] 950it [21:26, 1.35s/it] 951it [21:28, 1.34s/it] 952it [21:29, 1.34s/it] 953it [21:30, 1.34s/it] 954it [21:32, 1.34s/it] 955it [21:33, 1.33s/it] 956it [21:34, 1.33s/it] 957it [21:36, 1.33s/it] 958it [21:37, 1.33s/it] 959it [21:38, 1.33s/it] 960it [21:40, 1.33s/it] 961it [21:41, 1.33s/it] 962it [21:42, 1.33s/it] 963it [21:44, 1.33s/it] 964it [21:45, 1.36s/it] 965it [21:46, 1.35s/it] 966it [21:48, 1.35s/it] 967it [21:49, 1.35s/it] 968it [21:51, 1.35s/it] 969it [21:52, 1.34s/it] 970it [21:53, 1.33s/it] 971it [21:55, 1.34s/it] 972it [21:56, 1.33s/it] 973it [21:57, 1.34s/it] 974it [21:59, 1.34s/it] 975it [22:00, 1.34s/it] 976it [22:01, 1.34s/it] 977it [22:03, 1.35s/it] 978it [22:04, 1.34s/it] 979it [22:05, 1.35s/it] 980it [22:07, 1.36s/it] 981it [22:08, 1.36s/it] 982it [22:09, 1.37s/it] 983it [22:11, 1.38s/it] 984it [22:12, 1.37s/it] 985it [22:14, 1.37s/it] 986it [22:15, 1.37s/it] 987it [22:16, 1.36s/it] 988it [22:18, 1.35s/it] 989it [22:19, 1.34s/it] 990it [22:20, 1.34s/it] 991it [22:22, 1.33s/it] 992it [22:23, 1.34s/it] 993it [22:24, 1.33s/it] 994it [22:26, 1.34s/it] 995it [22:27, 1.34s/it] 996it [22:28, 1.34s/it] 997it [22:30, 1.34s/it] 998it [22:31, 1.34s/it] 999it [22:32, 1.35s/it] 1000it [22:34, 1.35s/it] 1000it [22:34, 1.35s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:19.243482 +⏰ Completed process in 0:22:34.650173 diff --git a/chunked/d4-dock_053.csv.gz b/chunked/d4-dock_053.csv.gz index 5378af2dd8f20038856d7900761f1f21ede9b512..5ec83cf0165b2612f3c9c01b06617752ca325bee 100644 --- a/chunked/d4-dock_053.csv.gz +++ b/chunked/d4-dock_053.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:9f1ae9738c1208d77ab03598ee2ec11561e2995ed23f3ab16143cd6237880425 -size 34897149 +oid sha256:936939c84f8ec80e63904af068454d8a8612bbb8937fc81951b18c6652d8efbb +size 34897178 diff --git a/chunked/d4-dock_053.log b/chunked/d4-dock_053.log index 647ec291f9ee88b1b8b7e619aa6ee0b6920a6a7d..3a5226c8db26eaf80973230d411e18653efc5db6 100644 --- a/chunked/d4-dock_053.log +++ b/chunked/d4-dock_053.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.37s/it] 2it [00:02, 1.36s/it] 3it [00:04, 1.35s/it] 4it [00:05, 1.34s/it] 5it [00:06, 1.34s/it] 6it [00:08, 1.34s/it] 7it [00:09, 1.34s/it] 8it [00:10, 1.34s/it] 9it [00:12, 1.34s/it] 10it [00:13, 1.34s/it] 11it [00:14, 1.34s/it] 12it [00:16, 1.34s/it] 13it [00:17, 1.34s/it] 14it [00:18, 1.33s/it] 15it [00:20, 1.33s/it] 16it [00:21, 1.33s/it] 17it [00:22, 1.33s/it] 18it [00:24, 1.33s/it] 19it [00:25, 1.33s/it] 20it [00:26, 1.33s/it] 21it [00:28, 1.34s/it] 22it 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1.33s/it] 979it [21:27, 1.33s/it] 980it [21:28, 1.33s/it] 981it [21:30, 1.33s/it] 982it [21:31, 1.32s/it] 983it [21:32, 1.32s/it] 984it [21:34, 1.32s/it] 985it [21:35, 1.32s/it] 986it [21:36, 1.32s/it] 987it [21:38, 1.32s/it] 988it [21:39, 1.33s/it] 989it [21:40, 1.33s/it] 990it [21:42, 1.33s/it] 991it [21:43, 1.34s/it] 992it [21:44, 1.33s/it] 993it [21:46, 1.34s/it] 994it [21:47, 1.33s/it] 995it [21:48, 1.32s/it] 996it [21:50, 1.32s/it] 997it [21:51, 1.32s/it] 998it [21:52, 1.32s/it] 999it [21:54, 1.32s/it] 1000it [21:55, 1.32s/it] 1000it [21:55, 1.32s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:10.951162 +⏰ Completed process in 0:21:55.885648 diff --git a/chunked/d4-dock_054.csv.gz b/chunked/d4-dock_054.csv.gz index bfd155e358f72d4a11a343824c26e77e772c2949..3c78cf78e2783cbbc21cd7c249d7477e4f397785 100644 --- a/chunked/d4-dock_054.csv.gz +++ b/chunked/d4-dock_054.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:c5c051ad9657ede8868034b2aad4e56fa7096a18763a6de3ad4bd6537e465c49 -size 34149546 +oid sha256:dce94def4463150b672b37ab2bd4e82d805553bc6190b208823468070adb3ddc +size 34149567 diff --git a/chunked/d4-dock_054.log b/chunked/d4-dock_054.log index 1ec6f9c39531f2ec2b2d5133dad0ac46c9a7dbae..5ec262045752b9da7682c8d00aa9023f1c92ea33 100644 --- a/chunked/d4-dock_054.log +++ b/chunked/d4-dock_054.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.33s/it] 2it [00:02, 1.33s/it] 3it [00:03, 1.33s/it] 4it [00:05, 1.32s/it] 5it [00:06, 1.32s/it] 6it [00:07, 1.32s/it] 7it [00:09, 1.32s/it] 8it [00:10, 1.31s/it] 9it [00:11, 1.31s/it] 10it [00:13, 1.31s/it] 11it [00:14, 1.30s/it] 12it [00:15, 1.30s/it] 13it [00:17, 1.31s/it] 14it [00:18, 1.31s/it] 15it [00:19, 1.31s/it] 16it [00:21, 1.32s/it] 17it [00:22, 1.31s/it] 18it [00:23, 1.32s/it] 19it [00:24, 1.31s/it] 20it [00:26, 1.31s/it] 21it [00:27, 1.31s/it] 22it [00:28, 1.31s/it] 23it [00:30, 1.30s/it] 24it [00:31, 1.30s/it] 25it [00:32, 1.30s/it] 26it [00:34, 1.30s/it] 27it [00:35, 1.29s/it] 28it [00:36, 1.29s/it] 29it [00:37, 1.29s/it] 30it [00:39, 1.29s/it] 31it [00:40, 1.28s/it] 32it [00:41, 1.28s/it] 33it [00:43, 1.28s/it] 34it [00:44, 1.28s/it] 35it [00:45, 1.28s/it] 36it [00:46, 1.28s/it] 37it [00:48, 1.28s/it] 38it [00:49, 1.28s/it] 39it [00:50, 1.28s/it] 40it [00:52, 1.29s/it] 41it [00:53, 1.30s/it] 42it [00:54, 1.31s/it] 43it [00:55, 1.31s/it] 44it [00:57, 1.31s/it] 45it [00:58, 1.32s/it] 46it [00:59, 1.32s/it] 47it [01:01, 1.33s/it] 48it [01:02, 1.34s/it] 49it [01:04, 1.34s/it] 50it [01:05, 1.34s/it] 51it [01:06, 1.33s/it] 52it [01:07, 1.33s/it] 53it [01:09, 1.32s/it] 54it [01:10, 1.32s/it] 55it [01:11, 1.32s/it] 56it [01:13, 1.33s/it] 57it [01:14, 1.32s/it] 58it [01:15, 1.32s/it] 59it [01:17, 1.32s/it] 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1.34s/it] 807it [17:44, 1.32s/it] 808it [17:46, 1.30s/it] 809it [17:47, 1.31s/it] 810it [17:48, 1.30s/it] 811it [17:49, 1.29s/it] 812it [17:51, 1.30s/it] 813it [17:52, 1.30s/it] 814it [17:53, 1.30s/it] 815it [17:55, 1.30s/it] 816it [17:56, 1.29s/it] 817it [17:57, 1.31s/it] 818it [17:59, 1.31s/it] 819it [18:00, 1.31s/it] 820it [18:01, 1.32s/it] 821it [18:03, 1.31s/it] 822it [18:04, 1.31s/it] 823it [18:05, 1.30s/it] 824it [18:06, 1.31s/it] 825it [18:08, 1.32s/it] 826it [18:09, 1.32s/it] 827it [18:10, 1.32s/it] 828it [18:12, 1.32s/it] 829it [18:13, 1.33s/it] 830it [18:14, 1.32s/it] 831it [18:16, 1.32s/it] 832it [18:17, 1.31s/it] 833it [18:18, 1.31s/it] 834it [18:20, 1.30s/it] 835it [18:21, 1.30s/it] 836it [18:22, 1.31s/it] 837it [18:24, 1.30s/it] 838it [18:25, 1.30s/it] 839it [18:26, 1.30s/it] 840it [18:27, 1.31s/it] 841it [18:29, 1.31s/it] 842it [18:30, 1.32s/it] 843it [18:31, 1.31s/it] 844it [18:33, 1.31s/it] 845it [18:34, 1.31s/it] 846it [18:35, 1.31s/it] 847it [18:37, 1.32s/it] 848it [18:38, 1.31s/it] 849it [18:39, 1.32s/it] 850it [18:41, 1.33s/it] 851it [18:42, 1.32s/it] 852it [18:43, 1.33s/it] 853it [18:45, 1.32s/it] 854it [18:46, 1.33s/it] 855it [18:47, 1.33s/it] 856it [18:49, 1.33s/it] 857it [18:50, 1.33s/it] 858it [18:51, 1.32s/it] 859it [18:53, 1.32s/it] 860it [18:54, 1.32s/it] 861it [18:55, 1.32s/it] 862it [18:56, 1.31s/it] 863it [18:58, 1.31s/it] 864it [18:59, 1.31s/it] 865it [19:00, 1.31s/it] 866it [19:02, 1.31s/it] 867it [19:03, 1.32s/it] 868it [19:04, 1.31s/it] 869it [19:06, 1.30s/it] 870it [19:07, 1.31s/it] 871it [19:08, 1.32s/it] 872it [19:10, 1.31s/it] 873it [19:11, 1.30s/it] 874it [19:12, 1.29s/it] 875it [19:13, 1.29s/it] 876it [19:15, 1.29s/it] 877it [19:16, 1.30s/it] 878it [19:17, 1.29s/it] 879it [19:19, 1.29s/it] 880it [19:20, 1.29s/it] 881it [19:21, 1.31s/it] 882it [19:23, 1.31s/it] 883it [19:24, 1.30s/it] 884it [19:25, 1.30s/it] 885it [19:26, 1.30s/it] 886it [19:28, 1.31s/it] 887it [19:29, 1.32s/it] 888it [19:30, 1.31s/it] 889it [19:32, 1.30s/it] 890it [19:33, 1.30s/it] 891it [19:34, 1.30s/it] 892it [19:36, 1.30s/it] 893it [19:37, 1.31s/it] 894it [19:38, 1.30s/it] 895it [19:39, 1.29s/it] 896it [19:41, 1.29s/it] 897it [19:42, 1.29s/it] 898it [19:43, 1.29s/it] 899it [19:45, 1.32s/it] 900it [19:46, 1.32s/it] 901it [19:47, 1.31s/it] 902it [19:49, 1.31s/it] 903it [19:50, 1.31s/it] 904it [19:51, 1.32s/it] 905it [19:53, 1.33s/it] 906it [19:54, 1.33s/it] 907it [19:55, 1.33s/it] 908it [19:57, 1.32s/it] 909it [19:58, 1.33s/it] 910it [19:59, 1.34s/it] 911it [20:01, 1.33s/it] 912it [20:02, 1.32s/it] 913it [20:03, 1.32s/it] 914it [20:05, 1.32s/it] 915it [20:06, 1.32s/it] 916it [20:07, 1.32s/it] 917it [20:08, 1.31s/it] 918it [20:10, 1.32s/it] 919it [20:11, 1.31s/it] 920it [20:12, 1.32s/it] 921it [20:14, 1.33s/it] 922it [20:15, 1.34s/it] 923it [20:16, 1.33s/it] 924it [20:18, 1.32s/it] 925it [20:19, 1.32s/it] 926it [20:20, 1.33s/it] 927it [20:22, 1.34s/it] 928it [20:23, 1.35s/it] 929it [20:24, 1.33s/it] 930it [20:26, 1.32s/it] 931it [20:27, 1.31s/it] 932it [20:28, 1.30s/it] 933it [20:30, 1.30s/it] 934it [20:31, 1.33s/it] 935it [20:32, 1.32s/it] 936it [20:34, 1.31s/it] 937it [20:35, 1.31s/it] 938it [20:36, 1.30s/it] 939it [20:38, 1.32s/it] 940it [20:39, 1.33s/it] 941it [20:40, 1.33s/it] 942it [20:42, 1.34s/it] 943it [20:43, 1.34s/it] 944it [20:44, 1.34s/it] 945it [20:46, 1.33s/it] 946it [20:47, 1.32s/it] 947it [20:48, 1.31s/it] 948it [20:49, 1.30s/it] 949it [20:51, 1.30s/it] 950it [20:52, 1.30s/it] 951it [20:53, 1.30s/it] 952it [20:55, 1.30s/it] 953it [20:56, 1.30s/it] 954it [20:57, 1.30s/it] 955it [20:59, 1.29s/it] 956it [21:00, 1.29s/it] 957it [21:01, 1.29s/it] 958it [21:02, 1.29s/it] 959it [21:04, 1.29s/it] 960it [21:05, 1.29s/it] 961it [21:06, 1.28s/it] 962it [21:07, 1.28s/it] 963it [21:09, 1.28s/it] 964it [21:10, 1.27s/it] 965it [21:11, 1.27s/it] 966it [21:13, 1.27s/it] 967it [21:14, 1.27s/it] 968it [21:15, 1.27s/it] 969it [21:16, 1.27s/it] 970it [21:18, 1.27s/it] 971it [21:19, 1.29s/it] 972it [21:20, 1.29s/it] 973it [21:22, 1.29s/it] 974it [21:23, 1.28s/it] 975it [21:24, 1.28s/it] 976it [21:25, 1.29s/it] 977it [21:27, 1.29s/it] 978it [21:28, 1.29s/it] 979it [21:29, 1.30s/it] 980it [21:31, 1.30s/it] 981it [21:32, 1.30s/it] 982it [21:33, 1.30s/it] 983it [21:34, 1.29s/it] 984it [21:36, 1.30s/it] 985it [21:37, 1.30s/it] 986it [21:38, 1.30s/it] 987it [21:40, 1.30s/it] 988it [21:41, 1.31s/it] 989it [21:42, 1.31s/it] 990it [21:44, 1.31s/it] 991it [21:45, 1.31s/it] 992it [21:46, 1.31s/it] 993it [21:48, 1.32s/it] 994it [21:49, 1.32s/it] 995it [21:50, 1.32s/it] 996it [21:52, 1.32s/it] 997it [21:53, 1.32s/it] 998it [21:54, 1.31s/it] 999it [21:55, 1.31s/it] 1000it [21:57, 1.31s/it] 1000it [21:57, 1.32s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:21:58.309856 +⏰ Completed process in 0:21:57.769347 diff --git a/chunked/d4-dock_055.csv.gz b/chunked/d4-dock_055.csv.gz index 448c27a7ec2b9d7351a5cb0b741d8610e97ec359..fc248a623bde1034db368b38b9923bae59a8fc4c 100644 --- a/chunked/d4-dock_055.csv.gz +++ b/chunked/d4-dock_055.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:3f772be69188099aca09d5f7359b32ac51e895f80dc3593ec8eebca7b9caa632 -size 34242984 +oid sha256:82042c1a930b31b87c92425bab1276738be936e00391b5a089af49c8e5d1de55 +size 34242976 diff --git a/chunked/d4-dock_055.log b/chunked/d4-dock_055.log index bc299fce80272a250d1de2a9c0ca8b8afad24fef..f0e908b7dc782c79664c3ae90ec3e0b8e9c5375d 100644 --- a/chunked/d4-dock_055.log +++ b/chunked/d4-dock_055.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.28s/it] 2it [00:02, 1.27s/it] 3it [00:03, 1.27s/it] 4it [00:05, 1.27s/it] 5it [00:06, 1.26s/it] 6it [00:07, 1.27s/it] 7it [00:08, 1.29s/it] 8it [00:10, 1.30s/it] 9it [00:11, 1.30s/it] 10it [00:12, 1.31s/it] 11it [00:14, 1.31s/it] 12it [00:15, 1.31s/it] 13it [00:16, 1.31s/it] 14it [00:18, 1.31s/it] 15it [00:19, 1.31s/it] 16it [00:20, 1.31s/it] 17it [00:22, 1.31s/it] 18it [00:23, 1.31s/it] 19it [00:24, 1.31s/it] 20it [00:26, 1.31s/it] 21it [00:27, 1.32s/it] 22it [00:28, 1.33s/it] 23it [00:30, 1.33s/it] 24it [00:31, 1.34s/it] 25it [00:32, 1.33s/it] 26it [00:34, 1.33s/it] 27it [00:35, 1.33s/it] 28it [00:36, 1.33s/it] 29it [00:38, 1.34s/it] 30it [00:39, 1.34s/it] 31it [00:40, 1.33s/it] 32it [00:42, 1.34s/it] 33it [00:43, 1.34s/it] 34it [00:44, 1.34s/it] 35it [00:46, 1.34s/it] 36it [00:47, 1.34s/it] 37it [00:48, 1.35s/it] 38it [00:50, 1.35s/it] 39it [00:51, 1.34s/it] 40it [00:52, 1.32s/it] 41it [00:54, 1.31s/it] 42it [00:55, 1.32s/it] 43it [00:56, 1.31s/it] 44it [00:57, 1.31s/it] 45it [00:59, 1.31s/it] 46it [01:00, 1.31s/it] 47it [01:01, 1.30s/it] 48it [01:03, 1.31s/it] 49it [01:04, 1.32s/it] 50it [01:05, 1.32s/it] 51it [01:07, 1.32s/it] 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1.36s/it] 551it [12:28, 1.37s/it] 552it [12:30, 1.37s/it] 553it [12:31, 1.37s/it] 554it [12:32, 1.36s/it] 555it [12:34, 1.36s/it] 556it [12:35, 1.37s/it] 557it [12:37, 1.37s/it] 558it [12:38, 1.36s/it] 559it [12:39, 1.37s/it] 560it [12:41, 1.37s/it] 561it [12:42, 1.38s/it] 562it [12:43, 1.38s/it] 563it [12:45, 1.38s/it] 564it [12:46, 1.38s/it] 565it [12:48, 1.38s/it] 566it [12:49, 1.38s/it] 567it [12:50, 1.38s/it] 568it [12:52, 1.38s/it] 569it [12:53, 1.38s/it] 570it [12:54, 1.38s/it] 571it [12:56, 1.38s/it] 572it [12:57, 1.37s/it] 573it [12:59, 1.38s/it] 574it [13:00, 1.38s/it] 575it [13:01, 1.38s/it] 576it [13:03, 1.38s/it] 577it [13:04, 1.37s/it] 578it [13:05, 1.37s/it] 579it [13:07, 1.37s/it] 580it [13:08, 1.36s/it] 581it [13:10, 1.37s/it] 582it [13:11, 1.37s/it] 583it [13:12, 1.38s/it] 584it [13:14, 1.38s/it] 585it [13:15, 1.38s/it] 586it [13:16, 1.38s/it] 587it [13:18, 1.38s/it] 588it [13:19, 1.37s/it] 589it [13:21, 1.37s/it] 590it [13:22, 1.37s/it] 591it [13:23, 1.37s/it] 592it [13:25, 1.37s/it] 593it [13:26, 1.37s/it] 594it [13:27, 1.37s/it] 595it [13:29, 1.38s/it] 596it [13:30, 1.38s/it] 597it [13:32, 1.38s/it] 598it [13:33, 1.38s/it] 599it [13:34, 1.38s/it] 600it [13:36, 1.38s/it] 601it [13:37, 1.37s/it] 602it [13:38, 1.36s/it] 603it [13:40, 1.36s/it] 604it [13:41, 1.37s/it] 605it [13:42, 1.37s/it] 606it [13:44, 1.37s/it] 607it [13:45, 1.37s/it] 608it [13:47, 1.37s/it] 609it [13:48, 1.39s/it] 610it [13:49, 1.38s/it] 611it [13:51, 1.37s/it] 612it [13:52, 1.37s/it] 613it [13:53, 1.37s/it] 614it [13:55, 1.36s/it] 615it [13:56, 1.38s/it] 616it [13:58, 1.38s/it] 617it [13:59, 1.37s/it] 618it [14:00, 1.37s/it] 619it [14:02, 1.36s/it] 620it [14:03, 1.37s/it] 621it [14:04, 1.38s/it] 622it [14:06, 1.39s/it] 623it [14:07, 1.38s/it] 624it [14:09, 1.38s/it] 625it [14:10, 1.37s/it] 626it [14:11, 1.38s/it] 627it [14:13, 1.38s/it] 628it [14:14, 1.38s/it] 629it [14:15, 1.38s/it] 630it [14:17, 1.38s/it] 631it [14:18, 1.37s/it] 632it [14:20, 1.37s/it] 633it [14:21, 1.37s/it] 634it [14:22, 1.38s/it] 635it [14:24, 1.36s/it] 636it [14:25, 1.35s/it] 637it [14:26, 1.36s/it] 638it [14:28, 1.36s/it] 639it [14:29, 1.36s/it] 640it [14:30, 1.36s/it] 641it [14:32, 1.37s/it] 642it [14:33, 1.37s/it] 643it [14:35, 1.37s/it] 644it [14:36, 1.37s/it] 645it [14:37, 1.36s/it] 646it [14:39, 1.36s/it] 647it [14:40, 1.36s/it] 648it [14:41, 1.36s/it] 649it [14:43, 1.35s/it] 650it [14:44, 1.35s/it] 651it [14:45, 1.34s/it] 652it [14:47, 1.34s/it] 653it [14:48, 1.35s/it] 654it [14:49, 1.36s/it] 655it [14:51, 1.36s/it] 656it [14:52, 1.36s/it] 657it [14:54, 1.35s/it] 658it [14:55, 1.36s/it] 659it [14:56, 1.36s/it] 660it [14:58, 1.37s/it] 661it [14:59, 1.37s/it] 662it [15:00, 1.36s/it] 663it [15:02, 1.36s/it] 664it [15:03, 1.35s/it] 665it [15:04, 1.35s/it] 666it [15:06, 1.34s/it] 667it [15:07, 1.34s/it] 668it [15:08, 1.34s/it] 669it [15:10, 1.34s/it] 670it [15:11, 1.34s/it] 671it [15:12, 1.34s/it] 672it [15:14, 1.34s/it] 673it [15:15, 1.33s/it] 674it [15:16, 1.29s/it] 675it [15:18, 1.31s/it] 676it [15:19, 1.31s/it] 677it [15:20, 1.32s/it] 678it [15:22, 1.32s/it] 679it [15:23, 1.33s/it] 680it [15:24, 1.33s/it] 681it [15:26, 1.35s/it] 682it [15:27, 1.36s/it] 683it [15:28, 1.37s/it] 684it [15:30, 1.37s/it] 685it [15:31, 1.38s/it] 686it [15:33, 1.39s/it] 687it [15:34, 1.41s/it] 688it [15:35, 1.41s/it] 689it [15:37, 1.42s/it] 690it [15:38, 1.42s/it] 691it [15:40, 1.43s/it] 692it [15:41, 1.43s/it] 693it [15:43, 1.43s/it] 694it [15:44, 1.43s/it] 695it [15:45, 1.43s/it] 696it [15:47, 1.44s/it] 697it [15:48, 1.43s/it] 698it [15:50, 1.44s/it] 699it [15:51, 1.44s/it] 700it [15:53, 1.44s/it] 701it [15:54, 1.44s/it] 702it [15:56, 1.44s/it] 703it [15:57, 1.44s/it] 704it [15:58, 1.44s/it] 705it [16:00, 1.44s/it] 706it [16:01, 1.44s/it] 707it [16:03, 1.44s/it] 708it [16:04, 1.44s/it] 709it [16:06, 1.44s/it] 710it [16:07, 1.44s/it] 711it [16:09, 1.44s/it] 712it [16:10, 1.43s/it] 713it [16:11, 1.43s/it] 714it [16:13, 1.44s/it] 715it [16:14, 1.43s/it] 716it [16:16, 1.43s/it] 717it [16:17, 1.43s/it] 718it [16:19, 1.43s/it] 719it [16:20, 1.42s/it] 720it [16:21, 1.43s/it] 721it [16:23, 1.42s/it] 722it [16:24, 1.42s/it] 723it [16:26, 1.42s/it] 724it [16:27, 1.42s/it] 725it [16:28, 1.42s/it] 726it [16:30, 1.41s/it] 727it [16:31, 1.42s/it] 728it [16:33, 1.42s/it] 729it [16:34, 1.42s/it] 730it [16:36, 1.42s/it] 731it [16:37, 1.43s/it] 732it [16:38, 1.43s/it] 733it [16:40, 1.43s/it] 734it [16:41, 1.42s/it] 735it [16:43, 1.43s/it] 736it [16:44, 1.43s/it] 737it [16:46, 1.43s/it] 738it [16:47, 1.43s/it] 739it [16:48, 1.42s/it] 740it [16:50, 1.42s/it] 741it [16:51, 1.42s/it] 742it [16:53, 1.42s/it] 743it [16:54, 1.42s/it] 744it [16:56, 1.42s/it] 745it [16:57, 1.43s/it] 746it [16:58, 1.43s/it] 747it [17:00, 1.44s/it] 748it [17:01, 1.43s/it] 749it [17:03, 1.43s/it] 750it [17:04, 1.44s/it] 751it [17:06, 1.44s/it] 752it [17:07, 1.44s/it] 753it [17:08, 1.44s/it] 754it [17:10, 1.44s/it] 755it [17:11, 1.43s/it] 756it [17:13, 1.42s/it] 757it [17:14, 1.43s/it] 758it [17:16, 1.43s/it] 759it [17:17, 1.44s/it] 760it [17:18, 1.43s/it] 761it [17:20, 1.43s/it] 762it [17:21, 1.42s/it] 763it [17:23, 1.42s/it] 764it [17:24, 1.43s/it] 765it [17:26, 1.43s/it] 766it [17:27, 1.43s/it] 767it [17:28, 1.43s/it] 768it [17:30, 1.44s/it] 769it [17:31, 1.43s/it] 770it [17:33, 1.43s/it] 771it [17:34, 1.43s/it] 772it [17:36, 1.43s/it] 773it [17:37, 1.43s/it] 774it [17:38, 1.43s/it] 775it [17:40, 1.43s/it] 776it [17:41, 1.44s/it] 777it [17:43, 1.43s/it] 778it [17:44, 1.43s/it] 779it [17:46, 1.43s/it] 780it [17:47, 1.44s/it] 781it [17:49, 1.44s/it] 782it [17:50, 1.44s/it] 783it [17:51, 1.44s/it] 784it [17:53, 1.43s/it] 785it [17:54, 1.42s/it] 786it [17:56, 1.41s/it] 787it [17:57, 1.42s/it] 788it [17:58, 1.41s/it] 789it [18:00, 1.42s/it] 790it [18:01, 1.43s/it] 791it [18:03, 1.43s/it] 792it [18:04, 1.43s/it] 793it [18:06, 1.43s/it] 794it [18:07, 1.42s/it] 795it [18:08, 1.42s/it] 796it [18:10, 1.42s/it] 797it [18:11, 1.42s/it] 798it [18:13, 1.42s/it] 799it [18:14, 1.43s/it] 800it [18:16, 1.43s/it] 801it [18:17, 1.43s/it] 802it [18:18, 1.43s/it] 803it [18:20, 1.41s/it] 804it [18:21, 1.41s/it] 805it [18:23, 1.41s/it] 806it [18:24, 1.41s/it] 807it [18:25, 1.41s/it] 808it [18:27, 1.40s/it] 809it [18:28, 1.41s/it] 810it [18:30, 1.39s/it] 811it [18:31, 1.40s/it] 812it [18:32, 1.41s/it] 813it [18:34, 1.41s/it] 814it [18:35, 1.40s/it] 815it [18:37, 1.41s/it] 816it [18:38, 1.41s/it] 817it [18:40, 1.41s/it] 818it [18:41, 1.41s/it] 819it [18:42, 1.41s/it] 820it [18:44, 1.41s/it] 821it [18:45, 1.41s/it] 822it [18:47, 1.41s/it] 823it [18:48, 1.41s/it] 824it [18:49, 1.41s/it] 825it [18:51, 1.41s/it] 826it [18:52, 1.41s/it] 827it [18:54, 1.44s/it] 828it [18:55, 1.44s/it] 829it [18:57, 1.43s/it] 830it [18:58, 1.43s/it] 831it [18:59, 1.43s/it] 832it [19:01, 1.42s/it] 833it [19:02, 1.42s/it] 834it [19:04, 1.43s/it] 835it [19:05, 1.43s/it] 836it [19:07, 1.43s/it] 837it [19:08, 1.43s/it] 838it [19:09, 1.44s/it] 839it [19:11, 1.44s/it] 840it [19:12, 1.43s/it] 841it [19:14, 1.43s/it] 842it [19:15, 1.43s/it] 843it [19:17, 1.43s/it] 844it [19:18, 1.43s/it] 845it [19:19, 1.43s/it] 846it [19:21, 1.43s/it] 847it [19:22, 1.43s/it] 848it [19:24, 1.43s/it] 849it [19:25, 1.44s/it] 850it [19:27, 1.44s/it] 851it [19:28, 1.44s/it] 852it [19:29, 1.44s/it] 853it [19:31, 1.43s/it] 854it [19:32, 1.43s/it] 855it [19:34, 1.43s/it] 856it [19:35, 1.43s/it] 857it [19:37, 1.43s/it] 858it [19:38, 1.43s/it] 859it [19:39, 1.42s/it] 860it [19:41, 1.41s/it] 861it [19:42, 1.42s/it] 862it [19:44, 1.42s/it] 863it [19:45, 1.42s/it] 864it [19:47, 1.42s/it] 865it [19:48, 1.43s/it] 866it [19:49, 1.43s/it] 867it [19:51, 1.44s/it] 868it [19:52, 1.44s/it] 869it [19:54, 1.43s/it] 870it [19:55, 1.42s/it] 871it [19:57, 1.42s/it] 872it [19:58, 1.42s/it] 873it [19:59, 1.42s/it] 874it [20:01, 1.42s/it] 875it [20:02, 1.42s/it] 876it [20:04, 1.42s/it] 877it [20:05, 1.42s/it] 878it [20:06, 1.42s/it] 879it [20:08, 1.42s/it] 880it [20:09, 1.42s/it] 881it [20:11, 1.41s/it] 882it [20:12, 1.41s/it] 883it [20:14, 1.41s/it] 884it [20:15, 1.42s/it] 885it [20:16, 1.42s/it] 886it [20:18, 1.42s/it] 887it [20:19, 1.43s/it] 888it [20:21, 1.43s/it] 889it [20:22, 1.43s/it] 890it [20:24, 1.43s/it] 891it [20:25, 1.43s/it] 892it [20:26, 1.43s/it] 893it [20:28, 1.43s/it] 894it [20:29, 1.44s/it] 895it [20:31, 1.44s/it] 896it [20:32, 1.44s/it] 897it [20:34, 1.44s/it] 898it [20:35, 1.44s/it] 899it [20:37, 1.44s/it] 900it [20:38, 1.44s/it] 901it [20:39, 1.43s/it] 902it [20:41, 1.42s/it] 903it [20:42, 1.42s/it] 904it [20:44, 1.42s/it] 905it [20:45, 1.42s/it] 906it [20:46, 1.41s/it] 907it [20:48, 1.42s/it] 908it [20:49, 1.42s/it] 909it [20:51, 1.43s/it] 910it [20:52, 1.43s/it] 911it [20:54, 1.42s/it] 912it [20:55, 1.42s/it] 913it [20:56, 1.43s/it] 914it [20:58, 1.43s/it] 915it [20:59, 1.42s/it] 916it [21:01, 1.42s/it] 917it [21:02, 1.42s/it] 918it [21:04, 1.43s/it] 919it [21:05, 1.43s/it] 920it [21:06, 1.42s/it] 921it [21:08, 1.42s/it] 922it [21:09, 1.42s/it] 923it [21:11, 1.43s/it] 924it [21:12, 1.43s/it] 925it [21:14, 1.44s/it] 926it [21:15, 1.44s/it] 927it [21:16, 1.44s/it] 928it [21:18, 1.44s/it] 929it [21:19, 1.44s/it] 930it [21:21, 1.44s/it] 931it [21:22, 1.44s/it] 932it [21:24, 1.43s/it] 933it [21:25, 1.43s/it] 934it [21:26, 1.43s/it] 935it [21:28, 1.43s/it] 936it [21:29, 1.43s/it] 937it [21:31, 1.44s/it] 938it [21:32, 1.43s/it] 939it [21:34, 1.43s/it] 940it [21:35, 1.43s/it] 941it [21:36, 1.43s/it] 942it [21:38, 1.42s/it] 943it [21:39, 1.42s/it] 944it [21:41, 1.42s/it] 945it [21:42, 1.42s/it] 946it [21:44, 1.42s/it] 947it [21:45, 1.42s/it] 948it [21:46, 1.42s/it] 949it [21:48, 1.43s/it] 950it [21:49, 1.43s/it] 951it [21:51, 1.43s/it] 952it [21:52, 1.42s/it] 953it [21:54, 1.42s/it] 954it [21:55, 1.43s/it] 955it [21:56, 1.43s/it] 956it [21:58, 1.43s/it] 957it [21:59, 1.43s/it] 958it [22:01, 1.43s/it] 959it [22:02, 1.42s/it] 960it [22:04, 1.42s/it] 961it [22:05, 1.41s/it] 962it [22:06, 1.42s/it] 963it [22:08, 1.42s/it] 964it [22:09, 1.41s/it] 965it [22:11, 1.41s/it] 966it [22:12, 1.41s/it] 967it [22:13, 1.42s/it] 968it [22:15, 1.42s/it] 969it [22:16, 1.42s/it] 970it [22:18, 1.43s/it] 971it [22:19, 1.43s/it] 972it [22:21, 1.43s/it] 973it [22:22, 1.43s/it] 974it [22:23, 1.42s/it] 975it [22:25, 1.41s/it] 976it [22:26, 1.41s/it] 977it [22:28, 1.41s/it] 978it [22:29, 1.41s/it] 979it [22:30, 1.41s/it] 980it [22:32, 1.41s/it] 981it [22:33, 1.42s/it] 982it [22:35, 1.41s/it] 983it [22:36, 1.41s/it] 984it [22:37, 1.41s/it] 985it [22:39, 1.41s/it] 986it [22:40, 1.40s/it] 987it [22:42, 1.41s/it] 988it [22:43, 1.41s/it] 989it [22:45, 1.41s/it] 990it [22:46, 1.41s/it] 991it [22:47, 1.41s/it] 992it [22:49, 1.41s/it] 993it [22:50, 1.42s/it] 994it [22:52, 1.41s/it] 995it [22:53, 1.41s/it] 996it [22:54, 1.41s/it] 997it [22:56, 1.41s/it] 998it [22:57, 1.41s/it] 999it [22:59, 1.41s/it] 1000it [23:00, 1.41s/it] 1000it [23:00, 1.38s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:59.791002 +⏰ Completed process in 0:23:01.115240 diff --git a/chunked/d4-dock_056.csv.gz b/chunked/d4-dock_056.csv.gz index 210d4d5862b6318ddda45a5522cd9703a5bcd6e7..84e7cfc186ff1334c0b7b28815b68e78fa206d84 100644 --- a/chunked/d4-dock_056.csv.gz +++ b/chunked/d4-dock_056.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:7d6dadacad0e6d21fd2ff7a27d4298fb710f444bb67115cddcf8b94975278da1 -size 35379133 +oid sha256:6cdef1e1fe51eaef2da909d2afd3be71aa9c78d9e150125f1430112c53873813 +size 35379136 diff --git a/chunked/d4-dock_056.log b/chunked/d4-dock_056.log index e326124e8987d97fce1f88f00312c8b1ae784d5a..5a176d6cfa8dd655f41437ce0e0280e61be6be02 100644 --- a/chunked/d4-dock_056.log +++ b/chunked/d4-dock_056.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.40s/it] 2it [00:02, 1.39s/it] 3it [00:04, 1.39s/it] 4it [00:05, 1.39s/it] 5it [00:06, 1.40s/it] 6it [00:08, 1.40s/it] 7it [00:09, 1.40s/it] 8it [00:11, 1.39s/it] 9it [00:12, 1.39s/it] 10it [00:13, 1.39s/it] 11it [00:15, 1.39s/it] 12it [00:16, 1.38s/it] 13it [00:18, 1.39s/it] 14it [00:19, 1.39s/it] 15it [00:20, 1.39s/it] 16it [00:22, 1.40s/it] 17it [00:23, 1.39s/it] 18it [00:25, 1.39s/it] 19it [00:26, 1.40s/it] 20it [00:27, 1.40s/it] 21it [00:29, 1.40s/it] 22it [00:30, 1.40s/it] 23it [00:32, 1.41s/it] 24it [00:33, 1.40s/it] 25it [00:34, 1.39s/it] 26it [00:36, 1.40s/it] 27it [00:37, 1.40s/it] 28it [00:39, 1.39s/it] 29it [00:40, 1.39s/it] 30it [00:41, 1.40s/it] 31it [00:43, 1.39s/it] 32it [00:44, 1.39s/it] 33it [00:46, 1.39s/it] 34it [00:47, 1.39s/it] 35it [00:48, 1.39s/it] 36it [00:50, 1.39s/it] 37it [00:51, 1.39s/it] 38it [00:52, 1.39s/it] 39it [00:54, 1.40s/it] 40it [00:55, 1.40s/it] 41it [00:57, 1.39s/it] 42it [00:58, 1.39s/it] 43it [00:59, 1.39s/it] 44it [01:01, 1.39s/it] 45it [01:02, 1.40s/it] 46it [01:04, 1.40s/it] 47it 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1.40s/it] 837it [19:26, 1.40s/it] 838it [19:28, 1.40s/it] 839it [19:29, 1.40s/it] 840it [19:31, 1.41s/it] 841it [19:32, 1.41s/it] 842it [19:33, 1.41s/it] 843it [19:35, 1.41s/it] 844it [19:36, 1.41s/it] 845it [19:38, 1.41s/it] 846it [19:39, 1.41s/it] 847it [19:40, 1.42s/it] 848it [19:42, 1.42s/it] 849it [19:43, 1.42s/it] 850it [19:45, 1.42s/it] 851it [19:46, 1.42s/it] 852it [19:48, 1.41s/it] 853it [19:49, 1.42s/it] 854it [19:50, 1.42s/it] 855it [19:52, 1.41s/it] 856it [19:53, 1.41s/it] 857it [19:55, 1.40s/it] 858it [19:56, 1.40s/it] 859it [19:57, 1.40s/it] 860it [19:59, 1.40s/it] 861it [20:00, 1.39s/it] 862it [20:02, 1.39s/it] 863it [20:03, 1.39s/it] 864it [20:04, 1.39s/it] 865it [20:06, 1.38s/it] 866it [20:07, 1.38s/it] 867it [20:08, 1.39s/it] 868it [20:10, 1.39s/it] 869it [20:11, 1.39s/it] 870it [20:13, 1.39s/it] 871it [20:14, 1.39s/it] 872it [20:15, 1.39s/it] 873it [20:17, 1.39s/it] 874it [20:18, 1.39s/it] 875it [20:20, 1.39s/it] 876it [20:21, 1.39s/it] 877it [20:22, 1.39s/it] 878it [20:24, 1.40s/it] 879it [20:25, 1.40s/it] 880it [20:27, 1.41s/it] 881it [20:28, 1.41s/it] 882it [20:29, 1.41s/it] 883it [20:31, 1.41s/it] 884it [20:32, 1.41s/it] 885it [20:34, 1.41s/it] 886it [20:35, 1.41s/it] 887it [20:37, 1.41s/it] 888it [20:38, 1.41s/it] 889it [20:39, 1.40s/it] 890it [20:41, 1.40s/it] 891it [20:42, 1.41s/it] 892it [20:44, 1.41s/it] 893it [20:45, 1.41s/it] 894it [20:46, 1.40s/it] 895it [20:48, 1.40s/it] 896it [20:49, 1.40s/it] 897it [20:51, 1.41s/it] 898it [20:52, 1.41s/it] 899it [20:53, 1.40s/it] 900it [20:55, 1.40s/it] 901it [20:56, 1.40s/it] 902it [20:58, 1.40s/it] 903it [20:59, 1.40s/it] 904it [21:00, 1.40s/it] 905it [21:02, 1.40s/it] 906it [21:03, 1.39s/it] 907it [21:04, 1.39s/it] 908it [21:06, 1.39s/it] 909it [21:07, 1.39s/it] 910it [21:09, 1.39s/it] 911it [21:10, 1.39s/it] 912it [21:11, 1.39s/it] 913it [21:13, 1.39s/it] 914it [21:14, 1.39s/it] 915it [21:16, 1.38s/it] 916it [21:17, 1.37s/it] 917it [21:18, 1.37s/it] 918it [21:20, 1.38s/it] 919it [21:21, 1.38s/it] 920it [21:22, 1.38s/it] 921it [21:24, 1.37s/it] 922it [21:25, 1.37s/it] 923it [21:27, 1.38s/it] 924it [21:28, 1.38s/it] 925it [21:29, 1.38s/it] 926it [21:31, 1.38s/it] 927it [21:32, 1.38s/it] 928it [21:33, 1.38s/it] 929it [21:35, 1.39s/it] 930it [21:36, 1.38s/it] 931it [21:38, 1.39s/it] 932it [21:39, 1.38s/it] 933it [21:40, 1.38s/it] 934it [21:42, 1.39s/it] 935it [21:43, 1.39s/it] 936it [21:45, 1.38s/it] 937it [21:46, 1.39s/it] 938it [21:47, 1.39s/it] 939it [21:49, 1.39s/it] 940it [21:50, 1.39s/it] 941it [21:52, 1.39s/it] 942it [21:53, 1.40s/it] 943it [21:54, 1.40s/it] 944it [21:56, 1.39s/it] 945it [21:57, 1.39s/it] 946it [21:58, 1.38s/it] 947it [22:00, 1.37s/it] 948it [22:01, 1.37s/it] 949it [22:03, 1.37s/it] 950it [22:04, 1.38s/it] 951it [22:05, 1.37s/it] 952it [22:07, 1.37s/it] 953it [22:08, 1.37s/it] 954it [22:09, 1.37s/it] 955it [22:11, 1.37s/it] 956it [22:12, 1.37s/it] 957it [22:14, 1.37s/it] 958it [22:15, 1.37s/it] 959it [22:16, 1.37s/it] 960it [22:18, 1.37s/it] 961it [22:19, 1.37s/it] 962it [22:20, 1.37s/it] 963it [22:22, 1.37s/it] 964it [22:23, 1.37s/it] 965it [22:25, 1.37s/it] 966it [22:26, 1.38s/it] 967it [22:27, 1.38s/it] 968it [22:29, 1.38s/it] 969it [22:30, 1.38s/it] 970it [22:31, 1.37s/it] 971it [22:33, 1.36s/it] 972it [22:34, 1.36s/it] 973it [22:35, 1.35s/it] 974it [22:37, 1.35s/it] 975it [22:38, 1.34s/it] 976it [22:39, 1.34s/it] 977it [22:41, 1.34s/it] 978it [22:42, 1.34s/it] 979it [22:43, 1.34s/it] 980it [22:45, 1.34s/it] 981it [22:46, 1.34s/it] 982it [22:47, 1.34s/it] 983it [22:49, 1.34s/it] 984it [22:50, 1.34s/it] 985it [22:51, 1.34s/it] 986it [22:53, 1.34s/it] 987it [22:54, 1.34s/it] 988it [22:55, 1.34s/it] 989it [22:57, 1.34s/it] 990it [22:58, 1.34s/it] 991it [22:59, 1.34s/it] 992it [23:01, 1.35s/it] 993it [23:02, 1.35s/it] 994it [23:04, 1.35s/it] 995it [23:05, 1.35s/it] 996it [23:06, 1.35s/it] 997it [23:08, 1.34s/it] 998it [23:09, 1.34s/it] 999it [23:10, 1.33s/it] 1000it [23:12, 1.33s/it] 1000it [23:12, 1.39s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:23:20.910538 +⏰ Completed process in 0:23:12.642756 diff --git a/chunked/d4-dock_057.csv.gz b/chunked/d4-dock_057.csv.gz index 24280e9569fea4dcc56df85b3722519bec6fb3f2..bef86fc5006d6c10fcd0974f88ea5a28fc5bc52f 100644 --- a/chunked/d4-dock_057.csv.gz +++ b/chunked/d4-dock_057.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:051f4e54b37f0f2da66caf39ae8eec30529e67e9f926d208aa61eead4085cd7a -size 34714680 +oid sha256:7371d002b8c3316b6099c1156fb5f733521c5e460b13221ea11a9abef9b9ff90 +size 34714682 diff --git a/chunked/d4-dock_057.log b/chunked/d4-dock_057.log index 233cb9b05708579762538bf126c98152ba61360f..2a584ca5251b21731aa9e8899bb5af0b65ab06ad 100644 --- a/chunked/d4-dock_057.log +++ b/chunked/d4-dock_057.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.40s/it] 2it [00:02, 1.40s/it] 3it [00:04, 1.40s/it] 4it [00:05, 1.40s/it] 5it [00:06, 1.40s/it] 6it [00:08, 1.39s/it] 7it [00:09, 1.40s/it] 8it [00:11, 1.40s/it] 9it [00:12, 1.40s/it] 10it [00:13, 1.39s/it] 11it [00:15, 1.39s/it] 12it [00:16, 1.39s/it] 13it [00:18, 1.39s/it] 14it [00:19, 1.39s/it] 15it [00:20, 1.39s/it] 16it [00:22, 1.39s/it] 17it [00:23, 1.39s/it] 18it [00:25, 1.40s/it] 19it [00:26, 1.39s/it] 20it [00:27, 1.39s/it] 21it [00:29, 1.40s/it] 22it [00:30, 1.39s/it] 23it [00:32, 1.38s/it] 24it [00:33, 1.38s/it] 25it [00:34, 1.39s/it] 26it [00:36, 1.39s/it] 27it [00:37, 1.39s/it] 28it [00:38, 1.39s/it] 29it [00:40, 1.38s/it] 30it [00:41, 1.37s/it] 31it [00:43, 1.37s/it] 32it [00:44, 1.37s/it] 33it [00:45, 1.38s/it] 34it [00:47, 1.38s/it] 35it [00:48, 1.39s/it] 36it [00:50, 1.39s/it] 37it [00:51, 1.39s/it] 38it [00:52, 1.39s/it] 39it [00:54, 1.39s/it] 40it [00:55, 1.40s/it] 41it [00:56, 1.39s/it] 42it [00:58, 1.40s/it] 43it [00:59, 1.40s/it] 44it [01:01, 1.40s/it] 45it [01:02, 1.40s/it] 46it [01:03, 1.40s/it] 47it [01:05, 1.40s/it] 48it [01:06, 1.40s/it] 49it [01:08, 1.40s/it] 50it [01:09, 1.39s/it] 51it [01:10, 1.38s/it] 52it [01:12, 1.39s/it] 53it [01:13, 1.38s/it] 54it [01:15, 1.38s/it] 55it [01:16, 1.38s/it] 56it [01:17, 1.38s/it] 57it [01:19, 1.38s/it] 58it [01:20, 1.38s/it] 59it [01:21, 1.37s/it] 60it [01:23, 1.37s/it] 61it [01:24, 1.37s/it] 62it [01:26, 1.37s/it] 63it [01:27, 1.39s/it] 64it [01:28, 1.39s/it] 65it [01:30, 1.39s/it] 66it [01:31, 1.39s/it] 67it [01:33, 1.39s/it] 68it [01:34, 1.39s/it] 69it [01:35, 1.40s/it] 70it [01:37, 1.40s/it] 71it [01:38, 1.40s/it] 72it [01:40, 1.40s/it] 73it [01:41, 1.39s/it] 74it [01:42, 1.40s/it] 75it [01:44, 1.39s/it] 76it [01:45, 1.39s/it] 77it [01:47, 1.40s/it] 78it [01:48, 1.40s/it] 79it [01:49, 1.40s/it] 80it [01:51, 1.39s/it] 81it [01:52, 1.39s/it] 82it [01:53, 1.38s/it] 83it [01:55, 1.38s/it] 84it [01:56, 1.37s/it] 85it [01:58, 1.36s/it] 86it [01:59, 1.35s/it] 87it [02:00, 1.36s/it] 88it [02:02, 1.37s/it] 89it [02:03, 1.36s/it] 90it [02:04, 1.37s/it] 91it [02:06, 1.36s/it] 92it [02:07, 1.37s/it] 93it [02:08, 1.38s/it] 94it [02:10, 1.38s/it] 95it [02:11, 1.37s/it] 96it [02:13, 1.36s/it] 97it [02:14, 1.36s/it] 98it [02:15, 1.36s/it] 99it [02:17, 1.36s/it] 100it [02:18, 1.36s/it] 101it [02:19, 1.37s/it] 102it [02:21, 1.38s/it] 103it [02:22, 1.38s/it] 104it [02:24, 1.37s/it] 105it [02:25, 1.36s/it] 106it [02:26, 1.36s/it] 107it [02:28, 1.36s/it] 108it [02:29, 1.38s/it] 109it [02:30, 1.38s/it] 110it [02:32, 1.37s/it] 111it [02:33, 1.37s/it] 112it [02:34, 1.37s/it] 113it [02:36, 1.38s/it] 114it [02:37, 1.37s/it] 115it [02:39, 1.38s/it] 116it [02:40, 1.38s/it] 117it [02:41, 1.38s/it] 118it [02:43, 1.38s/it] 119it [02:44, 1.38s/it] 120it [02:45, 1.37s/it] 121it [02:47, 1.37s/it] 122it [02:48, 1.37s/it] 123it [02:50, 1.37s/it] 124it [02:51, 1.38s/it] 125it [02:52, 1.37s/it] 126it [02:54, 1.37s/it] 127it [02:55, 1.38s/it] 128it [02:56, 1.37s/it] 129it [02:58, 1.37s/it] 130it [02:59, 1.38s/it] 131it [03:01, 1.39s/it] 132it [03:02, 1.39s/it] 133it [03:03, 1.39s/it] 134it [03:05, 1.39s/it] 135it [03:06, 1.38s/it] 136it [03:08, 1.39s/it] 137it [03:09, 1.39s/it] 138it [03:10, 1.38s/it] 139it [03:12, 1.38s/it] 140it [03:13, 1.38s/it] 141it [03:14, 1.38s/it] 142it [03:16, 1.37s/it] 143it [03:17, 1.37s/it] 144it [03:19, 1.37s/it] 145it [03:20, 1.37s/it] 146it [03:21, 1.37s/it] 147it [03:23, 1.37s/it] 148it [03:24, 1.37s/it] 149it [03:25, 1.37s/it] 150it [03:27, 1.37s/it] 151it [03:28, 1.38s/it] 152it [03:30, 1.37s/it] 153it [03:31, 1.37s/it] 154it [03:32, 1.38s/it] 155it [03:34, 1.38s/it] 156it [03:35, 1.38s/it] 157it [03:36, 1.38s/it] 158it [03:38, 1.38s/it] 159it [03:39, 1.39s/it] 160it [03:41, 1.39s/it] 161it [03:42, 1.39s/it] 162it [03:43, 1.39s/it] 163it [03:45, 1.38s/it] 164it [03:46, 1.37s/it] 165it [03:47, 1.37s/it] 166it [03:49, 1.36s/it] 167it [03:50, 1.37s/it] 168it [03:52, 1.37s/it] 169it [03:53, 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1.41s/it] 791it [18:24, 1.42s/it] 792it [18:26, 1.42s/it] 793it [18:27, 1.42s/it] 794it [18:29, 1.42s/it] 795it [18:30, 1.42s/it] 796it [18:31, 1.42s/it] 797it [18:33, 1.41s/it] 798it [18:34, 1.41s/it] 799it [18:36, 1.41s/it] 800it [18:37, 1.41s/it] 801it [18:38, 1.41s/it] 802it [18:40, 1.41s/it] 803it [18:41, 1.41s/it] 804it [18:43, 1.41s/it] 805it [18:44, 1.42s/it] 806it [18:46, 1.42s/it] 807it [18:47, 1.42s/it] 808it [18:48, 1.42s/it] 809it [18:50, 1.42s/it] 810it [18:51, 1.43s/it] 811it [18:53, 1.42s/it] 812it [18:54, 1.42s/it] 813it [18:56, 1.42s/it] 814it [18:57, 1.42s/it] 815it [18:58, 1.42s/it] 816it [19:00, 1.43s/it] 817it [19:01, 1.42s/it] 818it [19:03, 1.42s/it] 819it [19:04, 1.42s/it] 820it [19:05, 1.41s/it] 821it [19:07, 1.40s/it] 822it [19:08, 1.41s/it] 823it [19:10, 1.41s/it] 824it [19:11, 1.41s/it] 825it [19:12, 1.40s/it] 826it [19:14, 1.40s/it] 827it [19:15, 1.42s/it] 828it [19:17, 1.42s/it] 829it [19:18, 1.42s/it] 830it [19:20, 1.42s/it] 831it [19:21, 1.42s/it] 832it [19:22, 1.42s/it] 833it [19:24, 1.42s/it] 834it [19:25, 1.42s/it] 835it [19:27, 1.42s/it] 836it [19:28, 1.42s/it] 837it [19:29, 1.42s/it] 838it [19:31, 1.42s/it] 839it [19:32, 1.42s/it] 840it [19:34, 1.42s/it] 841it [19:35, 1.43s/it] 842it [19:37, 1.43s/it] 843it [19:38, 1.43s/it] 844it [19:39, 1.43s/it] 845it [19:41, 1.42s/it] 846it [19:42, 1.42s/it] 847it [19:44, 1.42s/it] 848it [19:45, 1.42s/it] 849it [19:47, 1.42s/it] 850it [19:48, 1.42s/it] 851it [19:49, 1.41s/it] 852it [19:51, 1.42s/it] 853it [19:52, 1.41s/it] 854it [19:54, 1.41s/it] 855it [19:55, 1.41s/it] 856it [19:56, 1.41s/it] 857it [19:58, 1.41s/it] 858it [19:59, 1.41s/it] 859it [20:01, 1.42s/it] 860it [20:02, 1.42s/it] 861it [20:04, 1.42s/it] 862it [20:05, 1.42s/it] 863it [20:06, 1.41s/it] 864it [20:08, 1.41s/it] 865it [20:09, 1.41s/it] 866it [20:11, 1.40s/it] 867it [20:12, 1.40s/it] 868it [20:13, 1.39s/it] 869it [20:15, 1.40s/it] 870it [20:16, 1.40s/it] 871it [20:18, 1.40s/it] 872it [20:19, 1.40s/it] 873it [20:20, 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[21:19, 1.41s/it] 916it [21:21, 1.41s/it] 917it [21:22, 1.41s/it] 918it [21:23, 1.40s/it] 919it [21:25, 1.40s/it] 920it [21:26, 1.40s/it] 921it [21:28, 1.41s/it] 922it [21:29, 1.41s/it] 923it [21:31, 1.41s/it] 924it [21:32, 1.39s/it] 925it [21:33, 1.39s/it] 926it [21:35, 1.40s/it] 927it [21:36, 1.40s/it] 928it [21:37, 1.40s/it] 929it [21:39, 1.40s/it] 930it [21:40, 1.39s/it] 931it [21:42, 1.39s/it] 932it [21:43, 1.39s/it] 933it [21:44, 1.39s/it] 934it [21:46, 1.39s/it] 935it [21:47, 1.39s/it] 936it [21:49, 1.39s/it] 937it [21:50, 1.40s/it] 938it [21:51, 1.40s/it] 939it [21:53, 1.40s/it] 940it [21:54, 1.40s/it] 941it [21:56, 1.40s/it] 942it [21:57, 1.40s/it] 943it [21:58, 1.39s/it] 944it [22:00, 1.39s/it] 945it [22:01, 1.40s/it] 946it [22:03, 1.40s/it] 947it [22:04, 1.39s/it] 948it [22:05, 1.38s/it] 949it [22:07, 1.38s/it] 950it [22:08, 1.39s/it] 951it [22:10, 1.39s/it] 952it [22:11, 1.40s/it] 953it [22:12, 1.40s/it] 954it [22:14, 1.40s/it] 955it [22:15, 1.41s/it] 956it [22:17, 1.41s/it] 957it [22:18, 1.40s/it] 958it [22:19, 1.40s/it] 959it [22:21, 1.40s/it] 960it [22:22, 1.40s/it] 961it [22:24, 1.40s/it] 962it [22:25, 1.40s/it] 963it [22:26, 1.40s/it] 964it [22:28, 1.40s/it] 965it [22:29, 1.40s/it] 966it [22:30, 1.39s/it] 967it [22:32, 1.38s/it] 968it [22:33, 1.38s/it] 969it [22:35, 1.38s/it] 970it [22:36, 1.38s/it] 971it [22:37, 1.38s/it] 972it [22:39, 1.38s/it] 973it [22:40, 1.38s/it] 974it [22:42, 1.38s/it] 975it [22:43, 1.37s/it] 976it [22:44, 1.36s/it] 977it [22:46, 1.36s/it] 978it [22:47, 1.36s/it] 979it [22:48, 1.36s/it] 980it [22:50, 1.36s/it] 981it [22:51, 1.36s/it] 982it [22:52, 1.35s/it] 983it [22:54, 1.36s/it] 984it [22:55, 1.36s/it] 985it [22:56, 1.36s/it] 986it [22:58, 1.36s/it] 987it [22:59, 1.36s/it] 988it [23:01, 1.36s/it] 989it [23:02, 1.35s/it] 990it [23:03, 1.35s/it] 991it [23:05, 1.35s/it] 992it [23:06, 1.35s/it] 993it [23:07, 1.35s/it] 994it [23:09, 1.35s/it] 995it [23:10, 1.35s/it] 996it [23:11, 1.35s/it] 997it [23:13, 1.35s/it] 998it [23:14, 1.35s/it] 999it [23:15, 1.35s/it] 1000it [23:17, 1.36s/it] 1000it [23:17, 1.40s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:23:08.298021 +⏰ Completed process in 0:23:17.794621 diff --git a/chunked/d4-dock_058.csv.gz b/chunked/d4-dock_058.csv.gz index fd794a1ecf34ac48e117c9761977d0ebc616eb81..6ffa9593356d5a82b421b8d20cc387a89fe144d8 100644 --- a/chunked/d4-dock_058.csv.gz +++ b/chunked/d4-dock_058.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:0d0035d1425b7cbdadc353f167f458c6acf75c5062136f67f9d9510d4ca933f9 -size 34076444 +oid sha256:4911f4b72744c030379983bd80c6d7860d076698faceae6bb40d542bc8845e17 +size 34076460 diff --git a/chunked/d4-dock_058.log b/chunked/d4-dock_058.log index 75cb7419271e2b61df8b714df1d5d999f080fb33..8246f44b69f8b6fba9d3cd5e0a06651f6bdada35 100644 --- a/chunked/d4-dock_058.log +++ b/chunked/d4-dock_058.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.38s/it] 2it [00:02, 1.40s/it] 3it [00:04, 1.42s/it] 4it [00:05, 1.41s/it] 5it [00:07, 1.42s/it] 6it [00:08, 1.42s/it] 7it [00:09, 1.41s/it] 8it [00:11, 1.41s/it] 9it [00:12, 1.41s/it] 10it [00:14, 1.41s/it] 11it [00:15, 1.41s/it] 12it [00:16, 1.41s/it] 13it [00:18, 1.41s/it] 14it [00:19, 1.41s/it] 15it [00:21, 1.42s/it] 16it [00:22, 1.42s/it] 17it [00:24, 1.42s/it] 18it [00:25, 1.42s/it] 19it [00:26, 1.42s/it] 20it [00:28, 1.42s/it] 21it [00:29, 1.42s/it] 22it [00:31, 1.41s/it] 23it [00:32, 1.41s/it] 24it [00:33, 1.41s/it] 25it [00:35, 1.40s/it] 26it [00:36, 1.41s/it] 27it [00:38, 1.41s/it] 28it [00:39, 1.41s/it] 29it [00:40, 1.41s/it] 30it [00:42, 1.41s/it] 31it [00:43, 1.42s/it] 32it [00:45, 1.41s/it] 33it [00:46, 1.41s/it] 34it [00:48, 1.41s/it] 35it [00:49, 1.41s/it] 36it [00:50, 1.41s/it] 37it [00:52, 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[20:54, 1.37s/it] 911it [20:55, 1.36s/it] 912it [20:56, 1.36s/it] 913it [20:58, 1.36s/it] 914it [20:59, 1.36s/it] 915it [21:00, 1.36s/it] 916it [21:02, 1.36s/it] 917it [21:03, 1.37s/it] 918it [21:05, 1.38s/it] 919it [21:06, 1.38s/it] 920it [21:07, 1.39s/it] 921it [21:09, 1.39s/it] 922it [21:10, 1.39s/it] 923it [21:12, 1.39s/it] 924it [21:13, 1.39s/it] 925it [21:14, 1.39s/it] 926it [21:16, 1.38s/it] 927it [21:17, 1.38s/it] 928it [21:18, 1.38s/it] 929it [21:20, 1.38s/it] 930it [21:21, 1.39s/it] 931it [21:23, 1.39s/it] 932it [21:24, 1.40s/it] 933it [21:25, 1.40s/it] 934it [21:27, 1.40s/it] 935it [21:28, 1.39s/it] 936it [21:30, 1.40s/it] 937it [21:31, 1.40s/it] 938it [21:32, 1.39s/it] 939it [21:34, 1.39s/it] 940it [21:35, 1.38s/it] 941it [21:37, 1.39s/it] 942it [21:38, 1.39s/it] 943it [21:39, 1.39s/it] 944it [21:41, 1.40s/it] 945it [21:42, 1.39s/it] 946it [21:44, 1.39s/it] 947it [21:45, 1.40s/it] 948it [21:46, 1.40s/it] 949it [21:48, 1.41s/it] 950it [21:49, 1.40s/it] 951it [21:51, 1.39s/it] 952it [21:52, 1.38s/it] 953it [21:53, 1.38s/it] 954it [21:55, 1.38s/it] 955it [21:56, 1.37s/it] 956it [21:57, 1.36s/it] 957it [21:59, 1.37s/it] 958it [22:00, 1.37s/it] 959it [22:01, 1.37s/it] 960it [22:03, 1.37s/it] 961it [22:04, 1.36s/it] 962it [22:06, 1.36s/it] 963it [22:07, 1.36s/it] 964it [22:08, 1.36s/it] 965it [22:10, 1.36s/it] 966it [22:11, 1.36s/it] 967it [22:12, 1.36s/it] 968it [22:14, 1.37s/it] 969it [22:15, 1.37s/it] 970it [22:16, 1.37s/it] 971it [22:18, 1.37s/it] 972it [22:19, 1.36s/it] 973it [22:21, 1.35s/it] 974it [22:22, 1.35s/it] 975it [22:23, 1.34s/it] 976it [22:25, 1.33s/it] 977it [22:26, 1.33s/it] 978it [22:27, 1.33s/it] 979it [22:29, 1.34s/it] 980it [22:30, 1.34s/it] 981it [22:31, 1.34s/it] 982it [22:33, 1.34s/it] 983it [22:34, 1.34s/it] 984it [22:35, 1.34s/it] 985it [22:37, 1.35s/it] 986it [22:38, 1.35s/it] 987it [22:39, 1.36s/it] 988it [22:41, 1.36s/it] 989it [22:42, 1.36s/it] 990it [22:43, 1.35s/it] 991it [22:45, 1.36s/it] 992it [22:46, 1.36s/it] 993it [22:47, 1.36s/it] 994it [22:49, 1.36s/it] 995it [22:50, 1.37s/it] 996it [22:52, 1.36s/it] 997it [22:53, 1.36s/it] 998it [22:54, 1.36s/it] 999it [22:56, 1.36s/it] 1000it [22:57, 1.36s/it] 1000it [22:57, 1.38s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:23:31.656410 +⏰ Completed process in 0:22:58.029925 diff --git a/chunked/d4-dock_059.csv.gz b/chunked/d4-dock_059.csv.gz index 7b70b4c5e67b9be44f74b0686888683beb8b7e68..daef010690466f4e8314abc2be46f46385ffc2bd 100644 --- a/chunked/d4-dock_059.csv.gz +++ b/chunked/d4-dock_059.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:750f9c31a0e04e4be93d6f17f0ae3e793a8983360bd5f1997df91edecf0ac16f -size 34748380 +oid sha256:77567b134a1cb45aa4f8cf087280461ad919116921adbe5e1ab48f410fdb90ce +size 34748379 diff --git a/chunked/d4-dock_059.log b/chunked/d4-dock_059.log index ca92232c54b04d79b91acc0b613b0ce52dd4668a..966c54f5ad61398aa98ebbfe97a33026d1a93d6e 100644 --- a/chunked/d4-dock_059.log +++ b/chunked/d4-dock_059.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.45s/it] 2it [00:02, 1.45s/it] 3it [00:04, 1.43s/it] 4it [00:05, 1.43s/it] 5it [00:07, 1.43s/it] 6it [00:08, 1.43s/it] 7it [00:10, 1.42s/it] 8it [00:11, 1.42s/it] 9it [00:12, 1.41s/it] 10it [00:14, 1.40s/it] 11it [00:15, 1.40s/it] 12it [00:16, 1.40s/it] 13it [00:18, 1.40s/it] 14it [00:19, 1.40s/it] 15it [00:21, 1.41s/it] 16it [00:22, 1.41s/it] 17it [00:24, 1.42s/it] 18it [00:25, 1.43s/it] 19it [00:26, 1.43s/it] 20it [00:28, 1.43s/it] 21it [00:29, 1.43s/it] 22it [00:31, 1.44s/it] 23it [00:32, 1.44s/it] 24it [00:34, 1.44s/it] 25it [00:35, 1.44s/it] 26it [00:37, 1.43s/it] 27it [00:38, 1.43s/it] 28it [00:39, 1.43s/it] 29it 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[16:04, 1.40s/it] 695it [16:06, 1.40s/it] 696it [16:07, 1.40s/it] 697it [16:09, 1.40s/it] 698it [16:10, 1.40s/it] 699it [16:11, 1.40s/it] 700it [16:13, 1.40s/it] 701it [16:14, 1.40s/it] 702it [16:16, 1.40s/it] 703it [16:17, 1.39s/it] 704it [16:18, 1.39s/it] 705it [16:20, 1.40s/it] 706it [16:21, 1.40s/it] 707it [16:23, 1.40s/it] 708it [16:24, 1.40s/it] 709it [16:25, 1.39s/it] 710it [16:27, 1.39s/it] 711it [16:28, 1.38s/it] 712it [16:29, 1.39s/it] 713it [16:31, 1.39s/it] 714it [16:32, 1.39s/it] 715it [16:34, 1.39s/it] 716it [16:35, 1.39s/it] 717it [16:36, 1.39s/it] 718it [16:38, 1.39s/it] 719it [16:39, 1.40s/it] 720it [16:41, 1.39s/it] 721it [16:42, 1.40s/it] 722it [16:43, 1.39s/it] 723it [16:45, 1.40s/it] 724it [16:46, 1.40s/it] 725it [16:48, 1.40s/it] 726it [16:49, 1.40s/it] 727it [16:50, 1.41s/it] 728it [16:52, 1.40s/it] 729it [16:53, 1.40s/it] 730it [16:55, 1.40s/it] 731it [16:56, 1.39s/it] 732it [16:57, 1.39s/it] 733it [16:59, 1.39s/it] 734it [17:00, 1.39s/it] 735it [17:02, 1.39s/it] 736it [17:03, 1.39s/it] 737it [17:04, 1.39s/it] 738it [17:06, 1.39s/it] 739it [17:07, 1.39s/it] 740it [17:08, 1.39s/it] 741it [17:10, 1.38s/it] 742it [17:11, 1.38s/it] 743it [17:13, 1.38s/it] 744it [17:14, 1.39s/it] 745it [17:15, 1.40s/it] 746it [17:17, 1.40s/it] 747it [17:18, 1.40s/it] 748it [17:20, 1.40s/it] 749it [17:21, 1.40s/it] 750it [17:22, 1.40s/it] 751it [17:24, 1.40s/it] 752it [17:25, 1.40s/it] 753it [17:27, 1.40s/it] 754it [17:28, 1.40s/it] 755it [17:29, 1.40s/it] 756it [17:31, 1.40s/it] 757it [17:32, 1.39s/it] 758it [17:34, 1.39s/it] 759it [17:35, 1.39s/it] 760it [17:36, 1.38s/it] 761it [17:38, 1.39s/it] 762it [17:39, 1.39s/it] 763it [17:41, 1.39s/it] 764it [17:42, 1.39s/it] 765it [17:43, 1.39s/it] 766it [17:45, 1.39s/it] 767it [17:46, 1.39s/it] 768it [17:47, 1.39s/it] 769it [17:49, 1.39s/it] 770it [17:50, 1.40s/it] 771it [17:52, 1.40s/it] 772it [17:53, 1.39s/it] 773it [17:54, 1.39s/it] 774it [17:56, 1.39s/it] 775it [17:57, 1.38s/it] 776it [17:59, 1.38s/it] 777it [18:00, 1.38s/it] 778it [18:01, 1.38s/it] 779it [18:03, 1.38s/it] 780it [18:04, 1.39s/it] 781it [18:06, 1.39s/it] 782it [18:07, 1.40s/it] 783it [18:08, 1.40s/it] 784it [18:10, 1.40s/it] 785it [18:11, 1.40s/it] 786it [18:13, 1.41s/it] 787it [18:14, 1.41s/it] 788it [18:15, 1.40s/it] 789it [18:17, 1.39s/it] 790it [18:18, 1.39s/it] 791it [18:19, 1.39s/it] 792it [18:21, 1.39s/it] 793it [18:22, 1.39s/it] 794it [18:24, 1.39s/it] 795it [18:25, 1.39s/it] 796it [18:26, 1.39s/it] 797it [18:28, 1.39s/it] 798it [18:29, 1.39s/it] 799it [18:31, 1.39s/it] 800it [18:32, 1.39s/it] 801it [18:33, 1.40s/it] 802it [18:35, 1.40s/it] 803it [18:36, 1.40s/it] 804it [18:38, 1.40s/it] 805it [18:39, 1.37s/it] 806it [18:40, 1.36s/it] 807it [18:42, 1.36s/it] 808it [18:43, 1.36s/it] 809it [18:44, 1.35s/it] 810it [18:46, 1.36s/it] 811it [18:47, 1.37s/it] 812it [18:48, 1.38s/it] 813it [18:50, 1.38s/it] 814it [18:51, 1.38s/it] 815it [18:53, 1.36s/it] 816it [18:54, 1.36s/it] 817it [18:55, 1.36s/it] 818it [18:57, 1.36s/it] 819it [18:58, 1.36s/it] 820it [18:59, 1.36s/it] 821it [19:01, 1.37s/it] 822it [19:02, 1.37s/it] 823it [19:04, 1.38s/it] 824it [19:05, 1.38s/it] 825it [19:06, 1.39s/it] 826it [19:08, 1.39s/it] 827it [19:09, 1.39s/it] 828it [19:10, 1.39s/it] 829it [19:12, 1.39s/it] 830it [19:13, 1.38s/it] 831it [19:15, 1.37s/it] 832it [19:16, 1.37s/it] 833it [19:17, 1.37s/it] 834it [19:19, 1.37s/it] 835it [19:20, 1.38s/it] 836it [19:21, 1.39s/it] 837it [19:23, 1.39s/it] 838it [19:24, 1.39s/it] 839it [19:26, 1.38s/it] 840it [19:27, 1.38s/it] 841it [19:28, 1.39s/it] 842it [19:30, 1.39s/it] 843it [19:31, 1.39s/it] 844it [19:33, 1.39s/it] 845it [19:34, 1.39s/it] 846it [19:35, 1.39s/it] 847it [19:37, 1.39s/it] 848it [19:38, 1.39s/it] 849it [19:40, 1.39s/it] 850it [19:41, 1.39s/it] 851it [19:42, 1.39s/it] 852it [19:44, 1.39s/it] 853it [19:45, 1.39s/it] 854it [19:46, 1.39s/it] 855it [19:48, 1.39s/it] 856it [19:49, 1.39s/it] 857it [19:51, 1.39s/it] 858it [19:52, 1.38s/it] 859it [19:53, 1.39s/it] 860it [19:55, 1.39s/it] 861it [19:56, 1.39s/it] 862it [19:58, 1.40s/it] 863it [19:59, 1.39s/it] 864it [20:00, 1.40s/it] 865it [20:02, 1.39s/it] 866it [20:03, 1.39s/it] 867it [20:05, 1.39s/it] 868it [20:06, 1.38s/it] 869it [20:07, 1.38s/it] 870it [20:09, 1.39s/it] 871it [20:10, 1.39s/it] 872it [20:11, 1.38s/it] 873it [20:13, 1.38s/it] 874it [20:14, 1.38s/it] 875it [20:16, 1.38s/it] 876it [20:17, 1.38s/it] 877it [20:18, 1.38s/it] 878it [20:20, 1.38s/it] 879it [20:21, 1.38s/it] 880it [20:22, 1.38s/it] 881it [20:24, 1.38s/it] 882it [20:25, 1.39s/it] 883it [20:27, 1.39s/it] 884it [20:28, 1.38s/it] 885it [20:29, 1.39s/it] 886it [20:31, 1.39s/it] 887it [20:32, 1.39s/it] 888it [20:34, 1.39s/it] 889it [20:35, 1.38s/it] 890it [20:36, 1.38s/it] 891it [20:38, 1.39s/it] 892it [20:39, 1.39s/it] 893it [20:41, 1.39s/it] 894it [20:42, 1.40s/it] 895it [20:43, 1.40s/it] 896it [20:45, 1.40s/it] 897it [20:46, 1.40s/it] 898it [20:48, 1.40s/it] 899it [20:49, 1.41s/it] 900it [20:50, 1.41s/it] 901it [20:52, 1.41s/it] 902it [20:53, 1.41s/it] 903it [20:55, 1.41s/it] 904it [20:56, 1.41s/it] 905it [20:57, 1.41s/it] 906it [20:59, 1.42s/it] 907it [21:00, 1.42s/it] 908it [21:02, 1.41s/it] 909it [21:03, 1.41s/it] 910it [21:05, 1.41s/it] 911it [21:06, 1.41s/it] 912it [21:07, 1.40s/it] 913it [21:09, 1.40s/it] 914it [21:10, 1.40s/it] 915it [21:12, 1.41s/it] 916it [21:13, 1.40s/it] 917it [21:14, 1.40s/it] 918it [21:16, 1.39s/it] 919it [21:17, 1.39s/it] 920it [21:18, 1.40s/it] 921it [21:20, 1.41s/it] 922it [21:21, 1.41s/it] 923it [21:23, 1.42s/it] 924it [21:24, 1.41s/it] 925it [21:26, 1.41s/it] 926it [21:27, 1.41s/it] 927it [21:28, 1.40s/it] 928it [21:30, 1.41s/it] 929it [21:31, 1.41s/it] 930it [21:33, 1.41s/it] 931it [21:34, 1.40s/it] 932it [21:35, 1.40s/it] 933it [21:37, 1.40s/it] 934it [21:38, 1.40s/it] 935it [21:40, 1.41s/it] 936it [21:41, 1.40s/it] 937it [21:42, 1.40s/it] 938it [21:44, 1.39s/it] 939it [21:45, 1.39s/it] 940it [21:47, 1.38s/it] 941it [21:48, 1.38s/it] 942it [21:49, 1.38s/it] 943it [21:51, 1.38s/it] 944it [21:52, 1.38s/it] 945it [21:53, 1.38s/it] 946it [21:55, 1.37s/it] 947it [21:56, 1.37s/it] 948it [21:58, 1.38s/it] 949it [21:59, 1.37s/it] 950it [22:00, 1.37s/it] 951it [22:02, 1.38s/it] 952it [22:03, 1.37s/it] 953it [22:04, 1.37s/it] 954it [22:06, 1.36s/it] 955it [22:07, 1.36s/it] 956it [22:08, 1.36s/it] 957it [22:10, 1.36s/it] 958it [22:11, 1.37s/it] 959it [22:13, 1.38s/it] 960it [22:14, 1.38s/it] 961it [22:15, 1.38s/it] 962it [22:17, 1.38s/it] 963it [22:18, 1.38s/it] 964it [22:19, 1.38s/it] 965it [22:21, 1.38s/it] 966it [22:22, 1.38s/it] 967it [22:24, 1.38s/it] 968it [22:25, 1.38s/it] 969it [22:26, 1.38s/it] 970it [22:28, 1.38s/it] 971it [22:29, 1.38s/it] 972it [22:31, 1.38s/it] 973it [22:32, 1.38s/it] 974it [22:33, 1.37s/it] 975it [22:35, 1.37s/it] 976it [22:36, 1.38s/it] 977it [22:37, 1.38s/it] 978it [22:39, 1.37s/it] 979it [22:40, 1.36s/it] 980it [22:41, 1.37s/it] 981it [22:43, 1.38s/it] 982it [22:44, 1.37s/it] 983it [22:46, 1.38s/it] 984it [22:47, 1.38s/it] 985it [22:48, 1.38s/it] 986it [22:50, 1.38s/it] 987it [22:51, 1.37s/it] 988it [22:53, 1.38s/it] 989it [22:54, 1.38s/it] 990it [22:55, 1.38s/it] 991it [22:57, 1.37s/it] 992it [22:58, 1.38s/it] 993it [22:59, 1.38s/it] 994it [23:01, 1.38s/it] 995it [23:02, 1.37s/it] 996it [23:03, 1.36s/it] 997it [23:05, 1.37s/it] 998it [23:06, 1.37s/it] 999it [23:08, 1.37s/it] 1000it [23:09, 1.37s/it] 1000it [23:09, 1.39s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:23:46.257668 +⏰ Completed process in 0:23:09.998392 diff --git a/chunked/d4-dock_060.csv.gz b/chunked/d4-dock_060.csv.gz index 3a44dbc007b36e5ff891aaad06847127be04b498..c76c0a6f2c17bce7c09916ad0f6113e0679d4385 100644 --- a/chunked/d4-dock_060.csv.gz +++ b/chunked/d4-dock_060.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:baa314f7ca56eafccf0b1b10468bc8dae0118197fcc8bbc25d06624d6427d3e0 -size 33131110 +oid sha256:f2f52cc2e5829a1c334bbc1084c64176ee9b4b206c05515a987845001ffcacc5 +size 33131117 diff --git a/chunked/d4-dock_060.log b/chunked/d4-dock_060.log index 337bcfe8ac2e1ae591a2a1f884f5cd64e37b155d..e8c868ca90401aaf3f9a5a5b8cbc1f4f93b43d77 100644 --- a/chunked/d4-dock_060.log +++ b/chunked/d4-dock_060.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.40s/it] 2it [00:02, 1.42s/it] 3it [00:04, 1.42s/it] 4it [00:05, 1.41s/it] 5it [00:07, 1.41s/it] 6it [00:08, 1.42s/it] 7it [00:09, 1.42s/it] 8it [00:11, 1.41s/it] 9it [00:12, 1.41s/it] 10it [00:14, 1.40s/it] 11it [00:15, 1.41s/it] 12it [00:16, 1.40s/it] 13it [00:18, 1.40s/it] 14it [00:19, 1.40s/it] 15it [00:21, 1.40s/it] 16it [00:22, 1.40s/it] 17it [00:23, 1.40s/it] 18it [00:25, 1.39s/it] 19it [00:26, 1.39s/it] 20it [00:28, 1.38s/it] 21it [00:29, 1.38s/it] 22it 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[20:51, 1.30s/it] 938it [20:53, 1.31s/it] 939it [20:54, 1.31s/it] 940it [20:55, 1.31s/it] 941it [20:57, 1.30s/it] 942it [20:58, 1.30s/it] 943it [20:59, 1.29s/it] 944it [21:00, 1.28s/it] 945it [21:02, 1.29s/it] 946it [21:03, 1.28s/it] 947it [21:04, 1.29s/it] 948it [21:06, 1.29s/it] 949it [21:07, 1.30s/it] 950it [21:08, 1.30s/it] 951it [21:10, 1.30s/it] 952it [21:11, 1.30s/it] 953it [21:12, 1.30s/it] 954it [21:13, 1.31s/it] 955it [21:15, 1.31s/it] 956it [21:16, 1.31s/it] 957it [21:17, 1.30s/it] 958it [21:19, 1.30s/it] 959it [21:20, 1.29s/it] 960it [21:21, 1.29s/it] 961it [21:23, 1.29s/it] 962it [21:24, 1.29s/it] 963it [21:25, 1.30s/it] 964it [21:26, 1.30s/it] 965it [21:28, 1.30s/it] 966it [21:29, 1.29s/it] 967it [21:30, 1.29s/it] 968it [21:32, 1.30s/it] 969it [21:33, 1.29s/it] 970it [21:34, 1.30s/it] 971it [21:35, 1.29s/it] 972it [21:37, 1.29s/it] 973it [21:38, 1.29s/it] 974it [21:39, 1.29s/it] 975it [21:41, 1.29s/it] 976it [21:42, 1.29s/it] 977it [21:43, 1.29s/it] 978it [21:45, 1.29s/it] 979it [21:46, 1.29s/it] 980it [21:47, 1.29s/it] 981it [21:48, 1.29s/it] 982it [21:50, 1.30s/it] 983it [21:51, 1.30s/it] 984it [21:52, 1.30s/it] 985it [21:54, 1.30s/it] 986it [21:55, 1.29s/it] 987it [21:56, 1.29s/it] 988it [21:57, 1.29s/it] 989it [21:59, 1.29s/it] 990it [22:00, 1.29s/it] 991it [22:01, 1.29s/it] 992it [22:03, 1.30s/it] 993it [22:04, 1.31s/it] 994it [22:05, 1.31s/it] 995it [22:07, 1.31s/it] 996it [22:08, 1.31s/it] 997it [22:09, 1.30s/it] 998it [22:10, 1.29s/it] 999it [22:12, 1.30s/it] 1000it [22:13, 1.31s/it] 1000it [22:13, 1.33s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:00.884246 +⏰ Completed process in 0:22:14.186513 diff --git a/chunked/d4-dock_061.csv.gz b/chunked/d4-dock_061.csv.gz index 82ce0f693d919f89ccac7702ec9068380fd9421a..e919097627b320e2f4f39b9eece59d6e846e0d9e 100644 --- a/chunked/d4-dock_061.csv.gz +++ b/chunked/d4-dock_061.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:149daaa393b59e945c7c78ae2c1d0598f2306ecc96c311cee2b2476b51d0480c -size 31686098 +oid sha256:ec628f70e4f1d5a3f8fd5a819727b44ea4410a42b040d55ab074c77ba62fb394 +size 31686100 diff --git a/chunked/d4-dock_061.log b/chunked/d4-dock_061.log index 3f8eab1282c13044de0595c6e3c7d415921947a3..acb7b0c6497ac798d62552b5eacf9ad59c7a600c 100644 --- a/chunked/d4-dock_061.log +++ b/chunked/d4-dock_061.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.32s/it] 2it [00:02, 1.29s/it] 3it [00:03, 1.28s/it] 4it [00:05, 1.28s/it] 5it [00:06, 1.28s/it] 6it [00:07, 1.28s/it] 7it [00:08, 1.28s/it] 8it [00:10, 1.28s/it] 9it [00:11, 1.27s/it] 10it [00:12, 1.28s/it] 11it [00:14, 1.29s/it] 12it [00:15, 1.30s/it] 13it [00:16, 1.29s/it] 14it [00:17, 1.29s/it] 15it [00:19, 1.30s/it] 16it [00:20, 1.30s/it] 17it [00:21, 1.29s/it] 18it [00:23, 1.29s/it] 19it [00:24, 1.29s/it] 20it [00:25, 1.30s/it] 21it [00:27, 1.30s/it] 22it [00:28, 1.30s/it] 23it [00:29, 1.30s/it] 24it [00:30, 1.30s/it] 25it [00:32, 1.28s/it] 26it [00:33, 1.27s/it] 27it [00:34, 1.26s/it] 28it [00:35, 1.27s/it] 29it [00:37, 1.27s/it] 30it [00:38, 1.27s/it] 31it [00:39, 1.26s/it] 32it [00:41, 1.26s/it] 33it [00:42, 1.26s/it] 34it [00:43, 1.27s/it] 35it [00:44, 1.27s/it] 36it [00:46, 1.28s/it] 37it [00:47, 1.28s/it] 38it [00:48, 1.28s/it] 39it [00:49, 1.28s/it] 40it [00:51, 1.29s/it] 41it [00:52, 1.28s/it] 42it [00:53, 1.28s/it] 43it [00:55, 1.27s/it] 44it [00:56, 1.28s/it] 45it [00:57, 1.29s/it] 46it [00:59, 1.29s/it] 47it [01:00, 1.30s/it] 48it [01:01, 1.31s/it] 49it [01:02, 1.30s/it] 50it [01:04, 1.30s/it] 51it [01:05, 1.30s/it] 52it [01:06, 1.29s/it] 53it [01:08, 1.28s/it] 54it [01:09, 1.28s/it] 55it [01:10, 1.28s/it] 56it [01:11, 1.27s/it] 57it [01:13, 1.27s/it] 58it [01:14, 1.29s/it] 59it [01:15, 1.29s/it] 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1.34s/it] 724it [15:56, 1.34s/it] 725it [15:57, 1.34s/it] 726it [15:59, 1.34s/it] 727it [16:00, 1.34s/it] 728it [16:01, 1.34s/it] 729it [16:03, 1.34s/it] 730it [16:04, 1.34s/it] 731it [16:05, 1.35s/it] 732it [16:07, 1.34s/it] 733it [16:08, 1.35s/it] 734it [16:09, 1.34s/it] 735it [16:11, 1.35s/it] 736it [16:12, 1.35s/it] 737it [16:13, 1.34s/it] 738it [16:15, 1.34s/it] 739it [16:16, 1.34s/it] 740it [16:17, 1.35s/it] 741it [16:19, 1.35s/it] 742it [16:20, 1.35s/it] 743it [16:22, 1.35s/it] 744it [16:23, 1.35s/it] 745it [16:24, 1.36s/it] 746it [16:26, 1.36s/it] 747it [16:27, 1.36s/it] 748it [16:28, 1.36s/it] 749it [16:30, 1.36s/it] 750it [16:31, 1.37s/it] 751it [16:32, 1.37s/it] 752it [16:34, 1.37s/it] 753it [16:35, 1.36s/it] 754it [16:37, 1.36s/it] 755it [16:38, 1.35s/it] 756it [16:39, 1.35s/it] 757it [16:41, 1.35s/it] 758it [16:42, 1.35s/it] 759it [16:43, 1.35s/it] 760it [16:45, 1.35s/it] 761it [16:46, 1.34s/it] 762it [16:47, 1.34s/it] 763it [16:49, 1.34s/it] 764it [16:50, 1.34s/it] 765it [16:51, 1.35s/it] 766it [16:53, 1.34s/it] 767it [16:54, 1.35s/it] 768it [16:55, 1.35s/it] 769it [16:57, 1.35s/it] 770it [16:58, 1.35s/it] 771it [16:59, 1.35s/it] 772it [17:01, 1.35s/it] 773it [17:02, 1.35s/it] 774it [17:03, 1.35s/it] 775it [17:05, 1.34s/it] 776it [17:06, 1.35s/it] 777it [17:07, 1.35s/it] 778it [17:09, 1.35s/it] 779it [17:10, 1.35s/it] 780it [17:12, 1.35s/it] 781it [17:13, 1.35s/it] 782it [17:14, 1.35s/it] 783it [17:16, 1.35s/it] 784it [17:17, 1.35s/it] 785it [17:18, 1.35s/it] 786it [17:20, 1.36s/it] 787it [17:21, 1.36s/it] 788it [17:22, 1.35s/it] 789it [17:24, 1.35s/it] 790it [17:25, 1.34s/it] 791it [17:26, 1.33s/it] 792it [17:28, 1.34s/it] 793it [17:29, 1.34s/it] 794it [17:30, 1.34s/it] 795it [17:32, 1.35s/it] 796it [17:33, 1.35s/it] 797it [17:34, 1.35s/it] 798it [17:36, 1.35s/it] 799it [17:37, 1.34s/it] 800it [17:38, 1.34s/it] 801it [17:40, 1.35s/it] 802it [17:41, 1.35s/it] 803it [17:43, 1.34s/it] 804it [17:44, 1.35s/it] 805it [17:45, 1.35s/it] 806it [17:47, 1.35s/it] 807it [17:48, 1.35s/it] 808it [17:49, 1.35s/it] 809it [17:51, 1.34s/it] 810it [17:52, 1.33s/it] 811it [17:53, 1.33s/it] 812it [17:55, 1.33s/it] 813it [17:56, 1.34s/it] 814it [17:57, 1.33s/it] 815it [17:59, 1.34s/it] 816it [18:00, 1.34s/it] 817it [18:01, 1.34s/it] 818it [18:03, 1.35s/it] 819it [18:04, 1.35s/it] 820it [18:05, 1.36s/it] 821it [18:07, 1.36s/it] 822it [18:08, 1.36s/it] 823it [18:09, 1.36s/it] 824it [18:11, 1.35s/it] 825it [18:12, 1.35s/it] 826it [18:13, 1.35s/it] 827it [18:15, 1.36s/it] 828it [18:16, 1.35s/it] 829it [18:18, 1.34s/it] 830it [18:19, 1.34s/it] 831it [18:20, 1.33s/it] 832it [18:21, 1.32s/it] 833it [18:23, 1.32s/it] 834it [18:24, 1.32s/it] 835it [18:25, 1.32s/it] 836it [18:27, 1.33s/it] 837it [18:28, 1.33s/it] 838it [18:29, 1.34s/it] 839it [18:31, 1.34s/it] 840it [18:32, 1.33s/it] 841it [18:33, 1.34s/it] 842it [18:35, 1.34s/it] 843it [18:36, 1.35s/it] 844it [18:38, 1.34s/it] 845it [18:39, 1.33s/it] 846it [18:40, 1.33s/it] 847it [18:41, 1.31s/it] 848it 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1.32s/it] 890it [19:37, 1.33s/it] 891it [19:39, 1.34s/it] 892it [19:40, 1.34s/it] 893it [19:41, 1.34s/it] 894it [19:43, 1.34s/it] 895it [19:44, 1.33s/it] 896it [19:45, 1.33s/it] 897it [19:47, 1.33s/it] 898it [19:48, 1.34s/it] 899it [19:49, 1.34s/it] 900it [19:51, 1.34s/it] 901it [19:52, 1.33s/it] 902it [19:53, 1.32s/it] 903it [19:55, 1.32s/it] 904it [19:56, 1.32s/it] 905it [19:57, 1.32s/it] 906it [19:58, 1.31s/it] 907it [20:00, 1.30s/it] 908it [20:01, 1.30s/it] 909it [20:02, 1.30s/it] 910it [20:04, 1.29s/it] 911it [20:05, 1.27s/it] 912it [20:06, 1.28s/it] 913it [20:07, 1.28s/it] 914it [20:09, 1.28s/it] 915it [20:10, 1.28s/it] 916it [20:11, 1.28s/it] 917it [20:13, 1.30s/it] 918it [20:14, 1.30s/it] 919it [20:15, 1.29s/it] 920it [20:16, 1.29s/it] 921it [20:18, 1.29s/it] 922it [20:19, 1.30s/it] 923it [20:20, 1.31s/it] 924it [20:22, 1.31s/it] 925it [20:23, 1.31s/it] 926it [20:24, 1.32s/it] 927it [20:26, 1.31s/it] 928it [20:27, 1.31s/it] 929it [20:28, 1.32s/it] 930it [20:30, 1.33s/it] 931it [20:31, 1.34s/it] 932it [20:32, 1.34s/it] 933it [20:34, 1.35s/it] 934it [20:35, 1.35s/it] 935it [20:36, 1.36s/it] 936it [20:38, 1.36s/it] 937it [20:39, 1.35s/it] 938it [20:41, 1.34s/it] 939it [20:42, 1.33s/it] 940it [20:43, 1.33s/it] 941it [20:44, 1.32s/it] 942it [20:46, 1.32s/it] 943it [20:47, 1.32s/it] 944it [20:48, 1.32s/it] 945it [20:50, 1.33s/it] 946it [20:51, 1.33s/it] 947it [20:52, 1.32s/it] 948it [20:54, 1.32s/it] 949it [20:55, 1.33s/it] 950it [20:56, 1.33s/it] 951it [20:58, 1.33s/it] 952it [20:59, 1.33s/it] 953it [21:00, 1.34s/it] 954it [21:02, 1.35s/it] 955it [21:03, 1.34s/it] 956it [21:04, 1.34s/it] 957it [21:06, 1.34s/it] 958it [21:07, 1.34s/it] 959it [21:08, 1.34s/it] 960it [21:10, 1.34s/it] 961it [21:11, 1.34s/it] 962it [21:12, 1.35s/it] 963it [21:14, 1.35s/it] 964it [21:15, 1.35s/it] 965it [21:17, 1.36s/it] 966it [21:18, 1.35s/it] 967it [21:19, 1.33s/it] 968it [21:20, 1.31s/it] 969it [21:22, 1.30s/it] 970it [21:23, 1.30s/it] 971it [21:24, 1.30s/it] 972it [21:26, 1.31s/it] 973it [21:27, 1.32s/it] 974it [21:28, 1.32s/it] 975it [21:30, 1.33s/it] 976it [21:31, 1.35s/it] 977it [21:32, 1.36s/it] 978it [21:34, 1.37s/it] 979it [21:35, 1.38s/it] 980it [21:37, 1.38s/it] 981it [21:38, 1.37s/it] 982it [21:39, 1.37s/it] 983it [21:41, 1.37s/it] 984it [21:42, 1.37s/it] 985it [21:43, 1.37s/it] 986it [21:45, 1.38s/it] 987it [21:46, 1.37s/it] 988it [21:48, 1.36s/it] 989it [21:49, 1.36s/it] 990it [21:50, 1.35s/it] 991it [21:52, 1.34s/it] 992it [21:53, 1.32s/it] 993it [21:54, 1.31s/it] 994it [21:55, 1.30s/it] 995it [21:57, 1.30s/it] 996it [21:58, 1.31s/it] 997it [21:59, 1.31s/it] 998it [22:01, 1.31s/it] 999it [22:02, 1.31s/it] 1000it [22:03, 1.32s/it] 1000it [22:03, 1.32s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:16.349258 +⏰ Completed process in 0:22:04.349847 diff --git a/chunked/d4-dock_062.csv.gz b/chunked/d4-dock_062.csv.gz index 57495fbbbaec3439499c8671dcc3cb0c07afdf04..d610403ea3dc3d328b8d17997d988f209a62e841 100644 --- a/chunked/d4-dock_062.csv.gz +++ b/chunked/d4-dock_062.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:56ca0f5d9e019099088541d3dd3c12a1b4842d31ebdbb14469dfe136ac0e6faf +oid sha256:e07f1d163ca493948b339a455546f3b1da8ce009fa38f9ee65a90cefcc658517 size 31562547 diff --git a/chunked/d4-dock_062.log b/chunked/d4-dock_062.log index d22e5fee26f4c0284bdd375b11a07025c1a1d7d9..e4cb9ed6d753e6363aec6483bcc7a0fb57a3f705 100644 --- a/chunked/d4-dock_062.log +++ b/chunked/d4-dock_062.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.36s/it] 2it [00:02, 1.36s/it] 3it [00:04, 1.35s/it] 4it [00:05, 1.34s/it] 5it [00:06, 1.34s/it] 6it [00:08, 1.34s/it] 7it [00:09, 1.33s/it] 8it [00:10, 1.33s/it] 9it [00:12, 1.33s/it] 10it [00:13, 1.33s/it] 11it [00:14, 1.33s/it] 12it [00:16, 1.33s/it] 13it [00:17, 1.34s/it] 14it [00:18, 1.34s/it] 15it [00:20, 1.34s/it] 16it [00:21, 1.34s/it] 17it [00:22, 1.33s/it] 18it [00:24, 1.33s/it] 19it [00:25, 1.33s/it] 20it [00:26, 1.33s/it] 21it [00:28, 1.34s/it] 22it [00:29, 1.35s/it] 23it [00:30, 1.35s/it] 24it [00:32, 1.36s/it] 25it [00:33, 1.36s/it] 26it [00:34, 1.36s/it] 27it [00:36, 1.37s/it] 28it [00:37, 1.37s/it] 29it [00:38, 1.36s/it] 30it [00:40, 1.34s/it] 31it [00:41, 1.34s/it] 32it [00:42, 1.34s/it] 33it [00:44, 1.33s/it] 34it [00:45, 1.30s/it] 35it [00:46, 1.28s/it] 36it [00:48, 1.28s/it] 37it [00:49, 1.28s/it] 38it [00:50, 1.28s/it] 39it [00:51, 1.28s/it] 40it [00:53, 1.27s/it] 41it [00:54, 1.27s/it] 42it [00:55, 1.26s/it] 43it [00:56, 1.25s/it] 44it [00:58, 1.24s/it] 45it [00:59, 1.23s/it] 46it [01:00, 1.22s/it] 47it [01:01, 1.21s/it] 48it [01:02, 1.19s/it] 49it [01:03, 1.18s/it] 50it [01:05, 1.17s/it] 51it [01:06, 1.17s/it] 52it [01:07, 1.17s/it] 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1.36s/it] 967it [21:01, 1.37s/it] 968it [21:03, 1.37s/it] 969it [21:04, 1.36s/it] 970it [21:05, 1.36s/it] 971it [21:07, 1.35s/it] 972it [21:08, 1.34s/it] 973it [21:09, 1.34s/it] 974it [21:11, 1.34s/it] 975it [21:12, 1.35s/it] 976it [21:14, 1.35s/it] 977it [21:15, 1.35s/it] 978it [21:16, 1.35s/it] 979it [21:18, 1.36s/it] 980it [21:19, 1.36s/it] 981it [21:20, 1.37s/it] 982it [21:22, 1.37s/it] 983it [21:23, 1.37s/it] 984it [21:25, 1.38s/it] 985it [21:26, 1.37s/it] 986it [21:27, 1.37s/it] 987it [21:29, 1.37s/it] 988it [21:30, 1.36s/it] 989it [21:31, 1.36s/it] 990it [21:33, 1.35s/it] 991it [21:34, 1.35s/it] 992it [21:35, 1.35s/it] 993it [21:37, 1.35s/it] 994it [21:38, 1.36s/it] 995it [21:39, 1.37s/it] 996it [21:41, 1.37s/it] 997it [21:42, 1.37s/it] 998it [21:44, 1.37s/it] 999it [21:45, 1.36s/it] 1000it [21:46, 1.36s/it] 1000it [21:46, 1.31s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:21:49.662810 +⏰ Completed process in 0:21:47.223538 diff --git a/chunked/d4-dock_063.csv.gz b/chunked/d4-dock_063.csv.gz index 4d69987cbcdd95154f2b567ebfe7daaec9be3038..1a9dd1f0b2c211c292d5d586db27be1b590a09d9 100644 --- a/chunked/d4-dock_063.csv.gz +++ b/chunked/d4-dock_063.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:b0bad7f9d6e567f8dd4e9072cd50df1c97acd23145810e01e73706bce3baa8d4 -size 29956484 +oid sha256:57fc6d1220f577450d2112f3183deb8e27d9e46dec10ce933967356e2c02a46e +size 29956441 diff --git a/chunked/d4-dock_063.log b/chunked/d4-dock_063.log index 3a471f5a920f264770b1711eb2fcd9bf4093dd28..bde421677bdb12b32d1bad5b0570d5f1e2ffb31a 100644 --- a/chunked/d4-dock_063.log +++ b/chunked/d4-dock_063.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.38s/it] 2it [00:02, 1.37s/it] 3it [00:04, 1.36s/it] 4it [00:05, 1.37s/it] 5it [00:06, 1.36s/it] 6it [00:08, 1.37s/it] 7it [00:09, 1.36s/it] 8it [00:10, 1.37s/it] 9it [00:12, 1.37s/it] 10it [00:13, 1.38s/it] 11it [00:15, 1.38s/it] 12it [00:16, 1.38s/it] 13it [00:17, 1.38s/it] 14it [00:19, 1.38s/it] 15it [00:20, 1.38s/it] 16it [00:21, 1.37s/it] 17it [00:23, 1.38s/it] 18it [00:24, 1.37s/it] 19it [00:26, 1.37s/it] 20it [00:27, 1.37s/it] 21it [00:28, 1.38s/it] 22it [00:30, 1.38s/it] 23it [00:31, 1.39s/it] 24it [00:33, 1.39s/it] 25it [00:34, 1.39s/it] 26it [00:35, 1.38s/it] 27it [00:37, 1.37s/it] 28it [00:38, 1.36s/it] 29it [00:39, 1.35s/it] 30it [00:41, 1.35s/it] 31it [00:42, 1.34s/it] 32it [00:43, 1.35s/it] 33it [00:45, 1.35s/it] 34it [00:46, 1.35s/it] 35it [00:47, 1.35s/it] 36it [00:49, 1.35s/it] 37it [00:50, 1.35s/it] 38it [00:51, 1.35s/it] 39it [00:53, 1.35s/it] 40it [00:54, 1.36s/it] 41it [00:56, 1.37s/it] 42it [00:57, 1.38s/it] 43it [00:58, 1.39s/it] 44it [01:00, 1.39s/it] 45it [01:01, 1.39s/it] 46it [01:03, 1.40s/it] 47it [01:04, 1.40s/it] 48it 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1.33s/it] 755it [16:37, 1.33s/it] 756it [16:39, 1.33s/it] 757it [16:40, 1.32s/it] 758it [16:41, 1.33s/it] 759it [16:43, 1.32s/it] 760it [16:44, 1.32s/it] 761it [16:45, 1.32s/it] 762it [16:46, 1.31s/it] 763it [16:48, 1.32s/it] 764it [16:49, 1.32s/it] 765it [16:50, 1.32s/it] 766it [16:52, 1.32s/it] 767it [16:53, 1.31s/it] 768it [16:54, 1.32s/it] 769it [16:56, 1.31s/it] 770it [16:57, 1.31s/it] 771it [16:58, 1.32s/it] 772it [17:00, 1.32s/it] 773it [17:01, 1.32s/it] 774it [17:02, 1.31s/it] 775it [17:04, 1.31s/it] 776it [17:05, 1.31s/it] 777it [17:06, 1.31s/it] 778it [17:07, 1.31s/it] 779it [17:09, 1.30s/it] 780it [17:10, 1.31s/it] 781it [17:11, 1.31s/it] 782it [17:13, 1.31s/it] 783it [17:14, 1.31s/it] 784it [17:15, 1.32s/it] 785it [17:17, 1.32s/it] 786it [17:18, 1.32s/it] 787it [17:19, 1.32s/it] 788it [17:21, 1.32s/it] 789it [17:22, 1.31s/it] 790it [17:23, 1.31s/it] 791it [17:25, 1.31s/it] 792it [17:26, 1.31s/it] 793it [17:27, 1.32s/it] 794it [17:28, 1.31s/it] 795it [17:30, 1.30s/it] 796it [17:31, 1.30s/it] 797it [17:32, 1.29s/it] 798it [17:34, 1.30s/it] 799it [17:35, 1.31s/it] 800it [17:36, 1.30s/it] 801it [17:38, 1.31s/it] 802it [17:39, 1.31s/it] 803it [17:40, 1.31s/it] 804it [17:42, 1.31s/it] 805it [17:43, 1.31s/it] 806it [17:44, 1.31s/it] 807it [17:45, 1.29s/it] 808it [17:47, 1.29s/it] 809it [17:48, 1.29s/it] 810it [17:49, 1.29s/it] 811it [17:51, 1.29s/it] 812it [17:52, 1.30s/it] 813it [17:53, 1.29s/it] 814it [17:54, 1.28s/it] 815it [17:56, 1.28s/it] 816it [17:57, 1.28s/it] 817it [17:58, 1.28s/it] 818it [18:00, 1.28s/it] 819it [18:01, 1.28s/it] 820it [18:02, 1.28s/it] 821it [18:03, 1.28s/it] 822it [18:05, 1.29s/it] 823it [18:06, 1.30s/it] 824it [18:07, 1.30s/it] 825it [18:09, 1.30s/it] 826it [18:10, 1.29s/it] 827it [18:11, 1.31s/it] 828it [18:13, 1.31s/it] 829it [18:14, 1.31s/it] 830it [18:15, 1.31s/it] 831it [18:16, 1.30s/it] 832it [18:18, 1.30s/it] 833it [18:19, 1.30s/it] 834it [18:20, 1.30s/it] 835it [18:22, 1.29s/it] 836it [18:23, 1.29s/it] 837it [18:24, 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[19:19, 1.31s/it] 880it [19:21, 1.30s/it] 881it [19:22, 1.30s/it] 882it [19:23, 1.29s/it] 883it [19:24, 1.29s/it] 884it [19:26, 1.28s/it] 885it [19:27, 1.28s/it] 886it [19:28, 1.27s/it] 887it [19:29, 1.27s/it] 888it [19:31, 1.27s/it] 889it [19:32, 1.27s/it] 890it [19:33, 1.28s/it] 891it [19:35, 1.27s/it] 892it [19:36, 1.27s/it] 893it [19:37, 1.27s/it] 894it [19:38, 1.28s/it] 895it [19:40, 1.28s/it] 896it [19:41, 1.28s/it] 897it [19:42, 1.27s/it] 898it [19:43, 1.27s/it] 899it [19:45, 1.26s/it] 900it [19:46, 1.26s/it] 901it [19:47, 1.25s/it] 902it [19:48, 1.26s/it] 903it [19:50, 1.26s/it] 904it [19:51, 1.27s/it] 905it [19:52, 1.28s/it] 906it [19:54, 1.28s/it] 907it [19:55, 1.28s/it] 908it [19:56, 1.28s/it] 909it [19:57, 1.28s/it] 910it [19:59, 1.29s/it] 911it [20:00, 1.29s/it] 912it [20:01, 1.28s/it] 913it [20:03, 1.28s/it] 914it [20:04, 1.28s/it] 915it [20:05, 1.28s/it] 916it [20:06, 1.27s/it] 917it [20:08, 1.27s/it] 918it [20:09, 1.27s/it] 919it [20:10, 1.28s/it] 920it [20:12, 1.28s/it] 921it [20:13, 1.29s/it] 922it [20:14, 1.29s/it] 923it [20:15, 1.30s/it] 924it [20:17, 1.31s/it] 925it [20:18, 1.31s/it] 926it [20:19, 1.31s/it] 927it [20:21, 1.31s/it] 928it [20:22, 1.31s/it] 929it [20:23, 1.31s/it] 930it [20:25, 1.30s/it] 931it [20:26, 1.30s/it] 932it [20:27, 1.30s/it] 933it [20:29, 1.29s/it] 934it [20:30, 1.29s/it] 935it [20:31, 1.29s/it] 936it [20:32, 1.28s/it] 937it [20:34, 1.29s/it] 938it [20:35, 1.28s/it] 939it [20:36, 1.28s/it] 940it [20:37, 1.28s/it] 941it [20:39, 1.28s/it] 942it [20:40, 1.28s/it] 943it [20:41, 1.28s/it] 944it [20:43, 1.29s/it] 945it [20:44, 1.29s/it] 946it [20:45, 1.29s/it] 947it [20:46, 1.29s/it] 948it [20:48, 1.28s/it] 949it [20:49, 1.29s/it] 950it [20:50, 1.29s/it] 951it [20:52, 1.28s/it] 952it [20:53, 1.29s/it] 953it [20:54, 1.29s/it] 954it [20:55, 1.28s/it] 955it [20:57, 1.30s/it] 956it [20:58, 1.30s/it] 957it [20:59, 1.30s/it] 958it [21:01, 1.29s/it] 959it [21:02, 1.28s/it] 960it [21:03, 1.29s/it] 961it [21:05, 1.29s/it] 962it [21:06, 1.29s/it] 963it [21:07, 1.29s/it] 964it [21:08, 1.29s/it] 965it [21:10, 1.29s/it] 966it [21:11, 1.28s/it] 967it [21:12, 1.27s/it] 968it [21:13, 1.27s/it] 969it [21:15, 1.27s/it] 970it [21:16, 1.27s/it] 971it [21:17, 1.28s/it] 972it [21:19, 1.29s/it] 973it [21:20, 1.30s/it] 974it [21:21, 1.30s/it] 975it [21:23, 1.32s/it] 976it [21:24, 1.33s/it] 977it [21:25, 1.34s/it] 978it [21:27, 1.33s/it] 979it [21:28, 1.30s/it] 980it [21:29, 1.29s/it] 981it [21:30, 1.28s/it] 982it [21:32, 1.27s/it] 983it [21:33, 1.26s/it] 984it [21:34, 1.27s/it] 985it [21:35, 1.27s/it] 986it [21:37, 1.27s/it] 987it [21:38, 1.28s/it] 988it [21:39, 1.28s/it] 989it [21:41, 1.29s/it] 990it [21:42, 1.29s/it] 991it [21:43, 1.29s/it] 992it [21:44, 1.30s/it] 993it [21:46, 1.30s/it] 994it [21:47, 1.31s/it] 995it [21:48, 1.31s/it] 996it [21:50, 1.32s/it] 997it [21:51, 1.32s/it] 998it [21:52, 1.32s/it] 999it [21:54, 1.32s/it] 1000it [21:55, 1.32s/it] 1000it [21:55, 1.32s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:17.663515 +⏰ Completed process in 0:21:56.012175 diff --git a/chunked/d4-dock_064.csv.gz b/chunked/d4-dock_064.csv.gz index 6401a40ae791f07bdcb03e66d6f39faf4c526e3c..e08d4178fac34aaf997309a49aff6c7edf693d26 100644 --- a/chunked/d4-dock_064.csv.gz +++ b/chunked/d4-dock_064.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:ce07d528f8b2ba738fa30a30d1925c95b06c611805e6891151cdf41b3943c769 -size 30310026 +oid sha256:8948b44bd640476ce36dc48005d99688f9a7655fd30a7d3f0bf467d40410a8f7 +size 30310037 diff --git a/chunked/d4-dock_064.log b/chunked/d4-dock_064.log index e8c9d04e40a8a794f83ba066836949d265d6bc2a..5a0b957bf013f2a79fc915102309add422e5f984 100644 --- a/chunked/d4-dock_064.log +++ b/chunked/d4-dock_064.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.34s/it] 2it [00:02, 1.31s/it] 3it [00:03, 1.30s/it] 4it [00:05, 1.30s/it] 5it [00:06, 1.30s/it] 6it [00:07, 1.30s/it] 7it [00:09, 1.30s/it] 8it [00:10, 1.30s/it] 9it [00:11, 1.30s/it] 10it [00:13, 1.30s/it] 11it [00:14, 1.30s/it] 12it [00:15, 1.31s/it] 13it [00:16, 1.31s/it] 14it [00:18, 1.31s/it] 15it [00:19, 1.31s/it] 16it [00:20, 1.31s/it] 17it [00:22, 1.31s/it] 18it [00:23, 1.31s/it] 19it [00:24, 1.31s/it] 20it [00:26, 1.31s/it] 21it [00:27, 1.30s/it] 22it [00:28, 1.30s/it] 23it [00:30, 1.30s/it] 24it [00:31, 1.30s/it] 25it [00:32, 1.31s/it] 26it [00:33, 1.31s/it] 27it [00:35, 1.32s/it] 28it [00:36, 1.33s/it] 29it [00:37, 1.33s/it] 30it [00:39, 1.34s/it] 31it [00:40, 1.34s/it] 32it [00:42, 1.35s/it] 33it [00:43, 1.37s/it] 34it [00:44, 1.38s/it] 35it [00:46, 1.39s/it] 36it [00:47, 1.39s/it] 37it [00:49, 1.39s/it] 38it [00:50, 1.37s/it] 39it [00:51, 1.36s/it] 40it [00:53, 1.34s/it] 41it [00:54, 1.32s/it] 42it [00:55, 1.31s/it] 43it [00:56, 1.30s/it] 44it [00:58, 1.28s/it] 45it [00:59, 1.28s/it] 46it [01:00, 1.28s/it] 47it [01:01, 1.29s/it] 48it [01:03, 1.29s/it] 49it [01:04, 1.30s/it] 50it [01:05, 1.30s/it] 51it [01:07, 1.30s/it] 52it [01:08, 1.30s/it] 53it [01:09, 1.30s/it] 54it [01:11, 1.30s/it] 55it [01:12, 1.31s/it] 56it [01:13, 1.31s/it] 57it [01:15, 1.32s/it] 58it [01:16, 1.32s/it] 59it [01:17, 1.33s/it] 60it [01:19, 1.33s/it] 61it [01:20, 1.32s/it] 62it [01:21, 1.32s/it] 63it [01:23, 1.34s/it] 64it [01:24, 1.34s/it] 65it [01:25, 1.33s/it] 66it [01:27, 1.33s/it] 67it [01:28, 1.33s/it] 68it [01:29, 1.33s/it] 69it [01:31, 1.33s/it] 70it [01:32, 1.33s/it] 71it [01:33, 1.33s/it] 72it [01:35, 1.34s/it] 73it [01:36, 1.34s/it] 74it [01:37, 1.34s/it] 75it [01:39, 1.35s/it] 76it [01:40, 1.35s/it] 77it [01:41, 1.34s/it] 78it [01:43, 1.34s/it] 79it [01:44, 1.34s/it] 80it [01:45, 1.34s/it] 81it [01:47, 1.35s/it] 82it [01:48, 1.34s/it] 83it [01:49, 1.35s/it] 84it [01:51, 1.35s/it] 85it [01:52, 1.36s/it] 86it [01:53, 1.37s/it] 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1.39s/it] 999it [22:24, 1.39s/it] 1000it [22:25, 1.39s/it] 1000it [22:25, 1.35s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:21:52.648820 +⏰ Completed process in 0:22:26.292066 diff --git a/chunked/d4-dock_065.csv.gz b/chunked/d4-dock_065.csv.gz index 4a24a1db716491e4953c775aa56eeb4ae228a0f8..3ef841894f9ec572c70786fab27371e0ff8e2e7f 100644 --- a/chunked/d4-dock_065.csv.gz +++ b/chunked/d4-dock_065.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:3877db324063e1dc757ee4eb1b6c9f96ae57c11e338c1929205b1ea839977311 -size 30294451 +oid sha256:5caf5a0cf426505afc8a14823a606bd76beaa5b2da691e5e03c46f25e8399efd +size 30294462 diff --git a/chunked/d4-dock_065.log b/chunked/d4-dock_065.log index 0511986fb4ed55b622e24effdc5a238f650053a4..5a662e26979f7bb35e954740bef69ed278ec2be1 100644 --- a/chunked/d4-dock_065.log +++ b/chunked/d4-dock_065.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.37s/it] 2it [00:02, 1.37s/it] 3it [00:04, 1.37s/it] 4it [00:05, 1.37s/it] 5it [00:06, 1.37s/it] 6it [00:08, 1.36s/it] 7it [00:09, 1.37s/it] 8it [00:10, 1.37s/it] 9it [00:12, 1.37s/it] 10it [00:13, 1.36s/it] 11it [00:15, 1.36s/it] 12it [00:16, 1.36s/it] 13it [00:17, 1.36s/it] 14it [00:19, 1.35s/it] 15it [00:20, 1.36s/it] 16it [00:21, 1.35s/it] 17it [00:23, 1.35s/it] 18it [00:24, 1.35s/it] 19it [00:25, 1.35s/it] 20it [00:27, 1.34s/it] 21it [00:28, 1.34s/it] 22it [00:29, 1.33s/it] 23it [00:31, 1.32s/it] 24it [00:32, 1.30s/it] 25it [00:33, 1.30s/it] 26it [00:34, 1.28s/it] 27it [00:36, 1.28s/it] 28it [00:37, 1.29s/it] 29it [00:38, 1.31s/it] 30it [00:40, 1.29s/it] 31it [00:41, 1.27s/it] 32it [00:42, 1.29s/it] 33it [00:43, 1.30s/it] 34it [00:45, 1.30s/it] 35it [00:46, 1.31s/it] 36it [00:47, 1.32s/it] 37it [00:49, 1.35s/it] 38it 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1.40s/it] 828it [18:33, 1.39s/it] 829it [18:34, 1.39s/it] 830it [18:35, 1.38s/it] 831it [18:37, 1.39s/it] 832it [18:38, 1.39s/it] 833it [18:40, 1.39s/it] 834it [18:41, 1.39s/it] 835it [18:42, 1.39s/it] 836it [18:44, 1.38s/it] 837it [18:45, 1.38s/it] 838it [18:47, 1.38s/it] 839it [18:48, 1.37s/it] 840it [18:49, 1.37s/it] 841it [18:51, 1.36s/it] 842it [18:52, 1.37s/it] 843it [18:53, 1.38s/it] 844it [18:55, 1.38s/it] 845it [18:56, 1.38s/it] 846it [18:57, 1.38s/it] 847it [18:59, 1.38s/it] 848it [19:00, 1.38s/it] 849it [19:02, 1.39s/it] 850it [19:03, 1.39s/it] 851it [19:04, 1.39s/it] 852it [19:06, 1.38s/it] 853it [19:07, 1.39s/it] 854it [19:09, 1.39s/it] 855it [19:10, 1.39s/it] 856it [19:11, 1.38s/it] 857it [19:13, 1.38s/it] 858it [19:14, 1.38s/it] 859it [19:15, 1.37s/it] 860it [19:17, 1.37s/it] 861it [19:18, 1.37s/it] 862it [19:20, 1.37s/it] 863it [19:21, 1.37s/it] 864it [19:22, 1.37s/it] 865it [19:24, 1.37s/it] 866it [19:25, 1.38s/it] 867it [19:26, 1.38s/it] 868it [19:28, 1.39s/it] 869it [19:29, 1.40s/it] 870it [19:31, 1.39s/it] 871it [19:32, 1.39s/it] 872it [19:33, 1.39s/it] 873it [19:35, 1.39s/it] 874it [19:36, 1.39s/it] 875it [19:38, 1.39s/it] 876it [19:39, 1.39s/it] 877it [19:40, 1.39s/it] 878it [19:42, 1.39s/it] 879it [19:43, 1.39s/it] 880it [19:45, 1.39s/it] 881it [19:46, 1.38s/it] 882it [19:47, 1.38s/it] 883it [19:49, 1.38s/it] 884it [19:50, 1.39s/it] 885it [19:51, 1.39s/it] 886it [19:53, 1.37s/it] 887it [19:54, 1.37s/it] 888it [19:56, 1.36s/it] 889it [19:57, 1.36s/it] 890it [19:58, 1.37s/it] 891it [20:00, 1.36s/it] 892it [20:01, 1.37s/it] 893it [20:02, 1.40s/it] 894it [20:04, 1.41s/it] 895it [20:05, 1.43s/it] 896it [20:07, 1.43s/it] 897it [20:08, 1.42s/it] 898it [20:10, 1.42s/it] 899it [20:11, 1.40s/it] 900it [20:12, 1.39s/it] 901it [20:14, 1.39s/it] 902it [20:15, 1.37s/it] 903it [20:16, 1.37s/it] 904it [20:18, 1.36s/it] 905it [20:19, 1.35s/it] 906it [20:20, 1.35s/it] 907it [20:22, 1.35s/it] 908it [20:23, 1.36s/it] 909it [20:25, 1.35s/it] 910it [20:26, 1.35s/it] 911it [20:27, 1.35s/it] 912it [20:29, 1.35s/it] 913it [20:30, 1.35s/it] 914it [20:31, 1.35s/it] 915it [20:33, 1.35s/it] 916it [20:34, 1.35s/it] 917it [20:35, 1.35s/it] 918it [20:37, 1.34s/it] 919it [20:38, 1.34s/it] 920it [20:39, 1.33s/it] 921it [20:41, 1.33s/it] 922it [20:42, 1.33s/it] 923it [20:43, 1.34s/it] 924it [20:45, 1.35s/it] 925it [20:46, 1.36s/it] 926it [20:47, 1.35s/it] 927it [20:49, 1.34s/it] 928it [20:50, 1.34s/it] 929it [20:51, 1.33s/it] 930it [20:53, 1.33s/it] 931it [20:54, 1.33s/it] 932it [20:55, 1.33s/it] 933it [20:57, 1.34s/it] 934it [20:58, 1.35s/it] 935it [20:59, 1.35s/it] 936it [21:01, 1.35s/it] 937it [21:02, 1.35s/it] 938it [21:03, 1.35s/it] 939it [21:05, 1.35s/it] 940it [21:06, 1.35s/it] 941it [21:07, 1.35s/it] 942it [21:09, 1.35s/it] 943it [21:10, 1.34s/it] 944it [21:12, 1.35s/it] 945it [21:13, 1.35s/it] 946it [21:14, 1.35s/it] 947it [21:16, 1.33s/it] 948it [21:17, 1.33s/it] 949it [21:18, 1.34s/it] 950it [21:20, 1.34s/it] 951it [21:21, 1.34s/it] 952it [21:22, 1.34s/it] 953it [21:24, 1.35s/it] 954it [21:25, 1.34s/it] 955it [21:26, 1.35s/it] 956it [21:28, 1.35s/it] 957it [21:29, 1.35s/it] 958it [21:30, 1.35s/it] 959it [21:32, 1.35s/it] 960it [21:33, 1.35s/it] 961it [21:34, 1.35s/it] 962it [21:36, 1.34s/it] 963it [21:37, 1.34s/it] 964it [21:38, 1.34s/it] 965it [21:40, 1.34s/it] 966it [21:41, 1.34s/it] 967it [21:42, 1.34s/it] 968it [21:44, 1.37s/it] 969it [21:45, 1.39s/it] 970it [21:47, 1.39s/it] 971it [21:48, 1.40s/it] 972it [21:50, 1.40s/it] 973it [21:51, 1.41s/it] 974it [21:52, 1.41s/it] 975it [21:54, 1.42s/it] 976it [21:55, 1.41s/it] 977it [21:57, 1.42s/it] 978it [21:58, 1.43s/it] 979it [21:59, 1.42s/it] 980it [22:01, 1.41s/it] 981it [22:02, 1.41s/it] 982it [22:04, 1.41s/it] 983it [22:05, 1.41s/it] 984it [22:06, 1.40s/it] 985it [22:08, 1.40s/it] 986it [22:09, 1.40s/it] 987it [22:11, 1.39s/it] 988it [22:12, 1.39s/it] 989it [22:13, 1.38s/it] 990it [22:15, 1.37s/it] 991it [22:16, 1.38s/it] 992it [22:17, 1.38s/it] 993it [22:19, 1.36s/it] 994it [22:20, 1.35s/it] 995it [22:21, 1.34s/it] 996it [22:23, 1.35s/it] 997it [22:24, 1.35s/it] 998it [22:26, 1.34s/it] 999it [22:27, 1.34s/it] 1000it [22:28, 1.33s/it] 1000it [22:28, 1.35s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:05.011708 +⏰ Completed process in 0:22:29.306644 diff --git a/chunked/d4-dock_066.csv.gz b/chunked/d4-dock_066.csv.gz index b99f9387bf2135685521ccb0b95cf0a742ca1a50..7a231ef715c57226189327b30d7b5395407e9ea8 100644 --- a/chunked/d4-dock_066.csv.gz +++ b/chunked/d4-dock_066.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:9690c8475a85eea36d764fa203d57c12569e6f0e0a195ea44ed734d82cfecc02 -size 33271574 +oid sha256:189892a77838ecefe980ff9b558eaf32690ee9f370f5ce8b66c48934216304b1 +size 33271602 diff --git a/chunked/d4-dock_066.log b/chunked/d4-dock_066.log index c5a75e0a0b0203fe37540c80140d29663b6893e9..f0fc6e445c96a436776f75428c25d534d4f3b530 100644 --- a/chunked/d4-dock_066.log +++ b/chunked/d4-dock_066.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.30s/it] 2it [00:02, 1.29s/it] 3it [00:03, 1.29s/it] 4it [00:05, 1.28s/it] 5it [00:06, 1.28s/it] 6it [00:07, 1.29s/it] 7it [00:09, 1.29s/it] 8it [00:10, 1.29s/it] 9it [00:11, 1.29s/it] 10it [00:12, 1.29s/it] 11it [00:14, 1.30s/it] 12it [00:15, 1.30s/it] 13it [00:16, 1.30s/it] 14it [00:18, 1.30s/it] 15it [00:19, 1.30s/it] 16it [00:20, 1.30s/it] 17it [00:21, 1.29s/it] 18it [00:23, 1.29s/it] 19it [00:24, 1.29s/it] 20it [00:25, 1.30s/it] 21it [00:27, 1.31s/it] 22it [00:28, 1.31s/it] 23it [00:29, 1.32s/it] 24it [00:31, 1.33s/it] 25it [00:32, 1.33s/it] 26it [00:33, 1.34s/it] 27it [00:35, 1.33s/it] 28it [00:36, 1.33s/it] 29it [00:37, 1.32s/it] 30it [00:39, 1.32s/it] 31it [00:40, 1.33s/it] 32it [00:41, 1.33s/it] 33it [00:43, 1.33s/it] 34it [00:44, 1.33s/it] 35it [00:45, 1.33s/it] 36it [00:47, 1.33s/it] 37it [00:48, 1.33s/it] 38it [00:49, 1.33s/it] 39it [00:51, 1.33s/it] 40it [00:52, 1.34s/it] 41it [00:53, 1.35s/it] 42it [00:55, 1.35s/it] 43it [00:56, 1.35s/it] 44it [00:57, 1.35s/it] 45it [00:59, 1.34s/it] 46it [01:00, 1.33s/it] 47it [01:01, 1.33s/it] 48it [01:03, 1.33s/it] 49it [01:04, 1.32s/it] 50it [01:05, 1.31s/it] 51it [01:07, 1.31s/it] 52it [01:08, 1.30s/it] 53it [01:09, 1.30s/it] 54it [01:10, 1.30s/it] 55it [01:12, 1.30s/it] 56it [01:13, 1.30s/it] 57it [01:14, 1.31s/it] 58it [01:16, 1.31s/it] 59it [01:17, 1.31s/it] 60it [01:18, 1.31s/it] 61it [01:20, 1.32s/it] 62it [01:21, 1.32s/it] 63it [01:22, 1.34s/it] 64it [01:24, 1.33s/it] 65it [01:25, 1.33s/it] 66it [01:26, 1.33s/it] 67it [01:28, 1.32s/it] 68it [01:29, 1.32s/it] 69it [01:30, 1.32s/it] 70it [01:32, 1.32s/it] 71it [01:33, 1.32s/it] 72it [01:34, 1.32s/it] 73it [01:36, 1.33s/it] 74it [01:37, 1.33s/it] 75it [01:38, 1.34s/it] 76it 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[13:49, 1.34s/it] 616it [13:50, 1.34s/it] 617it [13:52, 1.34s/it] 618it [13:53, 1.33s/it] 619it [13:54, 1.32s/it] 620it [13:56, 1.33s/it] 621it [13:57, 1.34s/it] 622it [13:58, 1.34s/it] 623it [14:00, 1.34s/it] 624it [14:01, 1.35s/it] 625it [14:02, 1.35s/it] 626it [14:04, 1.36s/it] 627it [14:05, 1.36s/it] 628it [14:07, 1.41s/it] 629it [14:08, 1.43s/it] 630it [14:09, 1.41s/it] 631it [14:11, 1.40s/it] 632it [14:12, 1.38s/it] 633it [14:14, 1.38s/it] 634it [14:15, 1.41s/it] 635it [14:17, 1.44s/it] 636it [14:18, 1.45s/it] 637it [14:20, 1.47s/it] 638it [14:21, 1.47s/it] 639it [14:23, 1.48s/it] 640it [14:24, 1.48s/it] 641it [14:26, 1.48s/it] 642it [14:27, 1.48s/it] 643it [14:28, 1.49s/it] 644it [14:30, 1.49s/it] 645it [14:31, 1.49s/it] 646it [14:33, 1.49s/it] 647it [14:34, 1.49s/it] 648it [14:36, 1.50s/it] 649it [14:37, 1.47s/it] 650it [14:39, 1.44s/it] 651it [14:40, 1.44s/it] 652it [14:42, 1.41s/it] 653it [14:43, 1.40s/it] 654it [14:44, 1.38s/it] 655it [14:46, 1.37s/it] 656it [14:47, 1.36s/it] 657it [14:48, 1.35s/it] 658it [14:50, 1.34s/it] 659it [14:51, 1.34s/it] 660it [14:52, 1.34s/it] 661it [14:54, 1.33s/it] 662it [14:55, 1.33s/it] 663it [14:56, 1.33s/it] 664it [14:58, 1.33s/it] 665it [14:59, 1.33s/it] 666it [15:00, 1.35s/it] 667it [15:02, 1.36s/it] 668it [15:03, 1.36s/it] 669it [15:04, 1.36s/it] 670it [15:06, 1.36s/it] 671it [15:07, 1.36s/it] 672it [15:08, 1.36s/it] 673it [15:10, 1.37s/it] 674it [15:11, 1.37s/it] 675it [15:13, 1.37s/it] 676it [15:14, 1.36s/it] 677it [15:15, 1.36s/it] 678it [15:17, 1.36s/it] 679it [15:18, 1.36s/it] 680it [15:19, 1.37s/it] 681it [15:21, 1.40s/it] 682it [15:22, 1.39s/it] 683it [15:24, 1.38s/it] 684it [15:25, 1.39s/it] 685it [15:26, 1.40s/it] 686it [15:28, 1.41s/it] 687it [15:29, 1.41s/it] 688it [15:31, 1.39s/it] 689it [15:32, 1.38s/it] 690it [15:33, 1.38s/it] 691it [15:35, 1.36s/it] 692it [15:36, 1.35s/it] 693it [15:37, 1.35s/it] 694it [15:39, 1.35s/it] 695it [15:40, 1.35s/it] 696it [15:41, 1.36s/it] 697it [15:43, 1.36s/it] 698it [15:44, 1.35s/it] 699it [15:45, 1.35s/it] 700it [15:47, 1.35s/it] 701it [15:48, 1.36s/it] 702it [15:50, 1.36s/it] 703it [15:51, 1.39s/it] 704it [15:52, 1.42s/it] 705it [15:54, 1.40s/it] 706it [15:55, 1.40s/it] 707it [15:57, 1.39s/it] 708it [15:58, 1.39s/it] 709it [15:59, 1.37s/it] 710it [16:01, 1.36s/it] 711it [16:02, 1.36s/it] 712it [16:03, 1.36s/it] 713it [16:05, 1.37s/it] 714it [16:06, 1.37s/it] 715it [16:08, 1.37s/it] 716it [16:09, 1.38s/it] 717it [16:10, 1.37s/it] 718it [16:12, 1.42s/it] 719it [16:13, 1.42s/it] 720it [16:15, 1.39s/it] 721it [16:16, 1.40s/it] 722it [16:17, 1.40s/it] 723it [16:19, 1.40s/it] 724it [16:20, 1.38s/it] 725it [16:21, 1.38s/it] 726it [16:23, 1.38s/it] 727it [16:24, 1.37s/it] 728it [16:26, 1.37s/it] 729it [16:27, 1.37s/it] 730it [16:28, 1.35s/it] 731it [16:30, 1.36s/it] 732it [16:31, 1.35s/it] 733it [16:32, 1.39s/it] 734it [16:34, 1.39s/it] 735it [16:35, 1.36s/it] 736it [16:37, 1.37s/it] 737it [16:38, 1.37s/it] 738it [16:39, 1.38s/it] 739it [16:41, 1.35s/it] 740it [16:42, 1.34s/it] 741it [16:43, 1.34s/it] 742it [16:45, 1.35s/it] 743it [16:46, 1.35s/it] 744it [16:47, 1.34s/it] 745it [16:49, 1.35s/it] 746it [16:50, 1.35s/it] 747it [16:51, 1.39s/it] 748it [16:53, 1.40s/it] 749it [16:54, 1.39s/it] 750it [16:56, 1.40s/it] 751it [16:57, 1.41s/it] 752it [16:59, 1.42s/it] 753it [17:00, 1.41s/it] 754it [17:01, 1.40s/it] 755it [17:03, 1.39s/it] 756it [17:04, 1.38s/it] 757it [17:05, 1.37s/it] 758it [17:07, 1.36s/it] 759it [17:08, 1.37s/it] 760it [17:09, 1.37s/it] 761it [17:11, 1.36s/it] 762it [17:12, 1.35s/it] 763it [17:13, 1.34s/it] 764it [17:15, 1.34s/it] 765it [17:16, 1.34s/it] 766it [17:18, 1.35s/it] 767it [17:19, 1.38s/it] 768it [17:20, 1.41s/it] 769it [17:22, 1.40s/it] 770it [17:23, 1.40s/it] 771it [17:25, 1.41s/it] 772it [17:26, 1.42s/it] 773it [17:27, 1.39s/it] 774it [17:29, 1.37s/it] 775it [17:30, 1.36s/it] 776it [17:31, 1.36s/it] 777it [17:33, 1.35s/it] 778it [17:34, 1.34s/it] 779it [17:35, 1.33s/it] 780it [17:37, 1.33s/it] 781it [17:38, 1.33s/it] 782it [17:39, 1.33s/it] 783it [17:41, 1.33s/it] 784it [17:42, 1.38s/it] 785it [17:44, 1.40s/it] 786it [17:45, 1.38s/it] 787it [17:46, 1.38s/it] 788it [17:48, 1.39s/it] 789it [17:49, 1.38s/it] 790it [17:50, 1.36s/it] 791it [17:52, 1.35s/it] 792it [17:53, 1.34s/it] 793it [17:54, 1.33s/it] 794it [17:56, 1.32s/it] 795it [17:57, 1.33s/it] 796it [17:58, 1.34s/it] 797it [18:00, 1.35s/it] 798it [18:01, 1.36s/it] 799it [18:03, 1.40s/it] 800it [18:04, 1.39s/it] 801it [18:05, 1.38s/it] 802it [18:07, 1.41s/it] 803it [18:08, 1.42s/it] 804it [18:10, 1.41s/it] 805it [18:11, 1.40s/it] 806it [18:12, 1.40s/it] 807it [18:14, 1.40s/it] 808it [18:15, 1.39s/it] 809it [18:17, 1.39s/it] 810it [18:18, 1.39s/it] 811it [18:19, 1.40s/it] 812it [18:21, 1.41s/it] 813it [18:22, 1.44s/it] 814it [18:24, 1.41s/it] 815it [18:25, 1.37s/it] 816it [18:26, 1.36s/it] 817it [18:28, 1.36s/it] 818it [18:29, 1.35s/it] 819it [18:30, 1.34s/it] 820it [18:32, 1.33s/it] 821it [18:33, 1.33s/it] 822it [18:34, 1.32s/it] 823it [18:36, 1.32s/it] 824it [18:37, 1.31s/it] 825it [18:38, 1.30s/it] 826it [18:40, 1.31s/it] 827it [18:41, 1.32s/it] 828it [18:42, 1.32s/it] 829it [18:44, 1.34s/it] 830it [18:45, 1.38s/it] 831it [18:47, 1.41s/it] 832it [18:48, 1.39s/it] 833it [18:49, 1.39s/it] 834it [18:51, 1.39s/it] 835it [18:52, 1.40s/it] 836it [18:53, 1.39s/it] 837it [18:55, 1.36s/it] 838it [18:56, 1.35s/it] 839it [18:57, 1.34s/it] 840it [18:59, 1.33s/it] 841it [19:00, 1.33s/it] 842it [19:01, 1.33s/it] 843it [19:03, 1.33s/it] 844it [19:04, 1.34s/it] 845it [19:05, 1.38s/it] 846it [19:07, 1.37s/it] 847it [19:08, 1.35s/it] 848it [19:10, 1.37s/it] 849it [19:11, 1.39s/it] 850it [19:12, 1.38s/it] 851it [19:14, 1.37s/it] 852it [19:15, 1.36s/it] 853it [19:16, 1.36s/it] 854it [19:18, 1.37s/it] 855it [19:19, 1.36s/it] 856it [19:20, 1.35s/it] 857it [19:22, 1.34s/it] 858it [19:23, 1.36s/it] 859it [19:25, 1.36s/it] 860it [19:26, 1.40s/it] 861it [19:27, 1.40s/it] 862it [19:29, 1.38s/it] 863it [19:30, 1.39s/it] 864it [19:32, 1.40s/it] 865it [19:33, 1.41s/it] 866it [19:34, 1.39s/it] 867it [19:36, 1.37s/it] 868it [19:37, 1.36s/it] 869it [19:38, 1.36s/it] 870it [19:40, 1.36s/it] 871it [19:41, 1.36s/it] 872it [19:42, 1.35s/it] 873it [19:44, 1.34s/it] 874it [19:45, 1.34s/it] 875it [19:47, 1.36s/it] 876it [19:48, 1.36s/it] 877it [19:49, 1.36s/it] 878it [19:51, 1.38s/it] 879it [19:52, 1.38s/it] 880it [19:53, 1.38s/it] 881it [19:55, 1.41s/it] 882it [19:56, 1.43s/it] 883it [19:58, 1.39s/it] 884it [19:59, 1.37s/it] 885it [20:00, 1.37s/it] 886it [20:02, 1.39s/it] 887it [20:03, 1.39s/it] 888it [20:05, 1.38s/it] 889it [20:06, 1.37s/it] 890it [20:07, 1.37s/it] 891it [20:09, 1.37s/it] 892it [20:10, 1.37s/it] 893it [20:11, 1.36s/it] 894it [20:13, 1.35s/it] 895it [20:14, 1.35s/it] 896it [20:15, 1.34s/it] 897it [20:17, 1.34s/it] 898it [20:18, 1.33s/it] 899it [20:19, 1.32s/it] 900it [20:21, 1.31s/it] 901it [20:22, 1.31s/it] 902it [20:23, 1.30s/it] 903it [20:24, 1.30s/it] 904it [20:26, 1.31s/it] 905it [20:27, 1.31s/it] 906it [20:28, 1.31s/it] 907it [20:30, 1.33s/it] 908it [20:31, 1.35s/it] 909it [20:33, 1.39s/it] 910it [20:34, 1.43s/it] 911it [20:36, 1.41s/it] 912it [20:37, 1.42s/it] 913it [20:38, 1.40s/it] 914it [20:40, 1.40s/it] 915it [20:41, 1.37s/it] 916it [20:42, 1.35s/it] 917it [20:44, 1.33s/it] 918it [20:45, 1.32s/it] 919it [20:46, 1.31s/it] 920it [20:47, 1.30s/it] 921it [20:49, 1.29s/it] 922it [20:50, 1.30s/it] 923it [20:51, 1.30s/it] 924it [20:53, 1.35s/it] 925it [20:54, 1.40s/it] 926it [20:56, 1.39s/it] 927it [20:57, 1.36s/it] 928it [20:58, 1.36s/it] 929it [21:00, 1.36s/it] 930it [21:01, 1.35s/it] 931it [21:02, 1.34s/it] 932it [21:04, 1.33s/it] 933it [21:05, 1.33s/it] 934it [21:06, 1.32s/it] 935it [21:08, 1.33s/it] 936it [21:09, 1.33s/it] 937it [21:10, 1.34s/it] 938it [21:12, 1.34s/it] 939it [21:13, 1.33s/it] 940it [21:14, 1.33s/it] 941it [21:16, 1.32s/it] 942it [21:17, 1.33s/it] 943it [21:18, 1.32s/it] 944it [21:20, 1.31s/it] 945it [21:21, 1.31s/it] 946it [21:22, 1.30s/it] 947it [21:23, 1.30s/it] 948it [21:25, 1.32s/it] 949it [21:26, 1.33s/it] 950it [21:27, 1.32s/it] 951it [21:29, 1.31s/it] 952it [21:30, 1.30s/it] 953it [21:31, 1.30s/it] 954it [21:33, 1.29s/it] 955it [21:34, 1.29s/it] 956it [21:35, 1.29s/it] 957it [21:36, 1.28s/it] 958it [21:38, 1.28s/it] 959it [21:39, 1.28s/it] 960it [21:40, 1.29s/it] 961it [21:42, 1.29s/it] 962it [21:43, 1.30s/it] 963it [21:44, 1.29s/it] 964it [21:45, 1.28s/it] 965it [21:47, 1.29s/it] 966it [21:48, 1.30s/it] 967it [21:49, 1.29s/it] 968it [21:51, 1.29s/it] 969it [21:52, 1.29s/it] 970it [21:53, 1.29s/it] 971it [21:55, 1.30s/it] 972it [21:56, 1.35s/it] 973it [21:58, 1.39s/it] 974it [21:59, 1.38s/it] 975it [22:00, 1.38s/it] 976it [22:02, 1.37s/it] 977it [22:03, 1.37s/it] 978it [22:04, 1.39s/it] 979it [22:06, 1.41s/it] 980it [22:07, 1.42s/it] 981it [22:09, 1.43s/it] 982it [22:10, 1.44s/it] 983it [22:12, 1.45s/it] 984it [22:13, 1.45s/it] 985it [22:15, 1.45s/it] 986it [22:16, 1.45s/it] 987it [22:17, 1.45s/it] 988it [22:19, 1.45s/it] 989it [22:20, 1.45s/it] 990it [22:22, 1.46s/it] 991it [22:23, 1.45s/it] 992it [22:25, 1.45s/it] 993it [22:26, 1.45s/it] 994it [22:28, 1.45s/it] 995it [22:29, 1.45s/it] 996it [22:31, 1.45s/it] 997it [22:32, 1.43s/it] 998it [22:33, 1.43s/it] 999it [22:35, 1.40s/it] 1000it [22:36, 1.38s/it] 1000it [22:36, 1.36s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:21:57.902133 +⏰ Completed process in 0:22:37.022267 diff --git a/chunked/d4-dock_067.csv.gz b/chunked/d4-dock_067.csv.gz index a0339feb6e3b2ab52034c208c878dae0e430b8c1..813c31eb0ffd904f13fe03a43c6e2bc38afdd655 100644 --- a/chunked/d4-dock_067.csv.gz +++ b/chunked/d4-dock_067.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:aa00ca18645fe081bb324e291562cc226e9401ad96ae9e2aba0a0375cf7fb239 -size 33395416 +oid sha256:5863c09f38531f74d8748db6f3859cf831671c0066290f948199e3b1c136ebbb +size 33395410 diff --git a/chunked/d4-dock_067.log b/chunked/d4-dock_067.log index 42c3a99efdbc3dbddd0209fce6085339ce0f81af..d6300f7eaa87de01ee6e98bfc032bde6c3b480cc 100644 --- a/chunked/d4-dock_067.log +++ b/chunked/d4-dock_067.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.34s/it] 2it [00:02, 1.33s/it] 3it [00:03, 1.33s/it] 4it [00:05, 1.33s/it] 5it [00:06, 1.32s/it] 6it [00:07, 1.33s/it] 7it [00:09, 1.32s/it] 8it [00:10, 1.33s/it] 9it [00:11, 1.33s/it] 10it [00:13, 1.33s/it] 11it [00:14, 1.33s/it] 12it [00:15, 1.33s/it] 13it [00:17, 1.32s/it] 14it [00:18, 1.32s/it] 15it [00:19, 1.31s/it] 16it [00:21, 1.32s/it] 17it [00:22, 1.32s/it] 18it [00:23, 1.31s/it] 19it [00:25, 1.31s/it] 20it [00:26, 1.31s/it] 21it [00:27, 1.32s/it] 22it [00:29, 1.32s/it] 23it [00:30, 1.33s/it] 24it [00:31, 1.33s/it] 25it [00:33, 1.33s/it] 26it [00:34, 1.33s/it] 27it [00:35, 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1.32s/it] 901it [19:57, 1.33s/it] 902it [19:58, 1.33s/it] 903it [20:00, 1.33s/it] 904it [20:01, 1.33s/it] 905it [20:02, 1.35s/it] 906it [20:04, 1.35s/it] 907it [20:05, 1.35s/it] 908it [20:06, 1.33s/it] 909it [20:08, 1.33s/it] 910it [20:09, 1.33s/it] 911it [20:10, 1.33s/it] 912it [20:12, 1.32s/it] 913it [20:13, 1.32s/it] 914it [20:14, 1.32s/it] 915it [20:16, 1.31s/it] 916it [20:17, 1.30s/it] 917it [20:18, 1.29s/it] 918it [20:19, 1.29s/it] 919it [20:21, 1.30s/it] 920it [20:22, 1.30s/it] 921it [20:23, 1.30s/it] 922it [20:25, 1.30s/it] 923it [20:26, 1.30s/it] 924it [20:27, 1.30s/it] 925it [20:29, 1.31s/it] 926it [20:30, 1.31s/it] 927it [20:31, 1.32s/it] 928it [20:32, 1.31s/it] 929it [20:34, 1.32s/it] 930it [20:35, 1.33s/it] 931it [20:37, 1.34s/it] 932it [20:38, 1.34s/it] 933it [20:39, 1.35s/it] 934it [20:41, 1.35s/it] 935it [20:42, 1.35s/it] 936it [20:43, 1.35s/it] 937it [20:45, 1.35s/it] 938it [20:46, 1.35s/it] 939it [20:47, 1.35s/it] 940it [20:49, 1.33s/it] 941it [20:50, 1.33s/it] 942it [20:51, 1.32s/it] 943it [20:53, 1.32s/it] 944it [20:54, 1.34s/it] 945it [20:55, 1.35s/it] 946it [20:57, 1.35s/it] 947it [20:58, 1.35s/it] 948it [20:59, 1.34s/it] 949it [21:01, 1.34s/it] 950it [21:02, 1.34s/it] 951it [21:03, 1.34s/it] 952it [21:05, 1.34s/it] 953it [21:06, 1.34s/it] 954it [21:07, 1.34s/it] 955it [21:09, 1.35s/it] 956it [21:10, 1.35s/it] 957it [21:11, 1.35s/it] 958it [21:13, 1.35s/it] 959it [21:14, 1.34s/it] 960it [21:15, 1.34s/it] 961it [21:17, 1.34s/it] 962it [21:18, 1.33s/it] 963it [21:19, 1.34s/it] 964it [21:21, 1.34s/it] 965it [21:22, 1.34s/it] 966it [21:23, 1.34s/it] 967it [21:25, 1.38s/it] 968it [21:26, 1.37s/it] 969it [21:28, 1.35s/it] 970it [21:29, 1.34s/it] 971it [21:30, 1.34s/it] 972it [21:32, 1.33s/it] 973it [21:33, 1.33s/it] 974it [21:34, 1.33s/it] 975it [21:36, 1.32s/it] 976it [21:37, 1.32s/it] 977it [21:38, 1.32s/it] 978it [21:39, 1.32s/it] 979it [21:41, 1.32s/it] 980it [21:42, 1.31s/it] 981it [21:43, 1.30s/it] 982it [21:45, 1.29s/it] 983it [21:46, 1.30s/it] 984it [21:47, 1.29s/it] 985it [21:48, 1.29s/it] 986it [21:50, 1.28s/it] 987it [21:51, 1.28s/it] 988it [21:52, 1.29s/it] 989it [21:54, 1.29s/it] 990it [21:55, 1.30s/it] 991it [21:56, 1.29s/it] 992it [21:57, 1.28s/it] 993it [21:59, 1.29s/it] 994it [22:00, 1.28s/it] 995it [22:01, 1.29s/it] 996it [22:03, 1.29s/it] 997it [22:04, 1.30s/it] 998it [22:05, 1.30s/it] 999it [22:07, 1.32s/it] 1000it [22:08, 1.32s/it] 1000it [22:08, 1.33s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:23.988881 +⏰ Completed process in 0:22:09.065175 diff --git a/chunked/d4-dock_068.csv.gz b/chunked/d4-dock_068.csv.gz index 92c92a9fccad3e5f6c58a55a14dd98638d6e2718..65929ad72948bf02482a54bf093cf1deb67e4b6d 100644 --- a/chunked/d4-dock_068.csv.gz +++ b/chunked/d4-dock_068.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:4156d73c59b3c7fa1666d68172084162ef66f5bd3eab22c3c2391bb554e603f2 -size 33405115 +oid sha256:2e561857f29068b425e82b636317646d04748a6cf3e3bf07aaf49938a6e24c6a +size 33405079 diff --git a/chunked/d4-dock_068.log b/chunked/d4-dock_068.log index ab8a828fbe6785101606981caed439c97043a181..bcd993d53e942bf040f39eba921bd4d06b2651d8 100644 --- a/chunked/d4-dock_068.log +++ b/chunked/d4-dock_068.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.29s/it] 2it [00:02, 1.28s/it] 3it [00:03, 1.28s/it] 4it [00:05, 1.29s/it] 5it [00:06, 1.31s/it] 6it [00:07, 1.32s/it] 7it [00:09, 1.32s/it] 8it [00:10, 1.34s/it] 9it [00:11, 1.34s/it] 10it [00:13, 1.34s/it] 11it [00:14, 1.34s/it] 12it [00:15, 1.31s/it] 13it [00:17, 1.31s/it] 14it [00:18, 1.31s/it] 15it [00:19, 1.33s/it] 16it [00:21, 1.36s/it] 17it [00:22, 1.37s/it] 18it [00:24, 1.38s/it] 19it [00:25, 1.38s/it] 20it [00:26, 1.36s/it] 21it [00:28, 1.36s/it] 22it [00:29, 1.34s/it] 23it [00:30, 1.32s/it] 24it [00:31, 1.32s/it] 25it [00:33, 1.31s/it] 26it [00:34, 1.31s/it] 27it [00:35, 1.31s/it] 28it [00:37, 1.32s/it] 29it [00:38, 1.32s/it] 30it [00:39, 1.32s/it] 31it [00:41, 1.32s/it] 32it [00:42, 1.32s/it] 33it [00:43, 1.31s/it] 34it [00:45, 1.30s/it] 35it [00:46, 1.31s/it] 36it [00:47, 1.31s/it] 37it [00:49, 1.31s/it] 38it [00:50, 1.33s/it] 39it [00:51, 1.34s/it] 40it [00:53, 1.33s/it] 41it [00:54, 1.33s/it] 42it [00:55, 1.32s/it] 43it [00:56, 1.31s/it] 44it [00:58, 1.30s/it] 45it [00:59, 1.30s/it] 46it [01:00, 1.29s/it] 47it [01:02, 1.28s/it] 48it [01:03, 1.28s/it] 49it [01:04, 1.29s/it] 50it [01:06, 1.31s/it] 51it [01:07, 1.33s/it] 52it [01:08, 1.35s/it] 53it [01:10, 1.36s/it] 54it [01:11, 1.36s/it] 55it [01:12, 1.36s/it] 56it [01:14, 1.35s/it] 57it [01:15, 1.33s/it] 58it [01:16, 1.33s/it] 59it [01:18, 1.32s/it] 60it [01:19, 1.31s/it] 61it [01:20, 1.31s/it] 62it [01:22, 1.33s/it] 63it [01:23, 1.35s/it] 64it [01:24, 1.35s/it] 65it [01:26, 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[15:37, 1.32s/it] 689it [15:39, 1.32s/it] 690it [15:40, 1.33s/it] 691it [15:41, 1.33s/it] 692it [15:43, 1.33s/it] 693it [15:44, 1.33s/it] 694it [15:45, 1.32s/it] 695it [15:47, 1.32s/it] 696it [15:48, 1.33s/it] 697it [15:49, 1.33s/it] 698it [15:51, 1.34s/it] 699it [15:52, 1.35s/it] 700it [15:54, 1.35s/it] 701it [15:55, 1.36s/it] 702it [15:56, 1.35s/it] 703it [15:58, 1.36s/it] 704it [15:59, 1.36s/it] 705it [16:00, 1.35s/it] 706it [16:02, 1.35s/it] 707it [16:03, 1.35s/it] 708it [16:04, 1.36s/it] 709it [16:06, 1.36s/it] 710it [16:07, 1.36s/it] 711it [16:08, 1.37s/it] 712it [16:10, 1.37s/it] 713it [16:11, 1.38s/it] 714it [16:13, 1.38s/it] 715it [16:14, 1.38s/it] 716it [16:15, 1.39s/it] 717it [16:17, 1.39s/it] 718it [16:18, 1.39s/it] 719it [16:20, 1.39s/it] 720it [16:21, 1.38s/it] 721it [16:22, 1.38s/it] 722it [16:24, 1.37s/it] 723it [16:25, 1.36s/it] 724it [16:26, 1.36s/it] 725it [16:28, 1.36s/it] 726it [16:29, 1.35s/it] 727it [16:30, 1.35s/it] 728it [16:32, 1.34s/it] 729it [16:33, 1.34s/it] 730it [16:34, 1.33s/it] 731it [16:36, 1.34s/it] 732it [16:37, 1.34s/it] 733it [16:38, 1.34s/it] 734it [16:40, 1.34s/it] 735it [16:41, 1.34s/it] 736it [16:42, 1.35s/it] 737it [16:44, 1.35s/it] 738it [16:45, 1.36s/it] 739it [16:47, 1.36s/it] 740it [16:48, 1.37s/it] 741it [16:49, 1.37s/it] 742it [16:51, 1.37s/it] 743it [16:52, 1.36s/it] 744it [16:53, 1.36s/it] 745it [16:55, 1.36s/it] 746it [16:56, 1.36s/it] 747it [16:57, 1.37s/it] 748it [16:59, 1.38s/it] 749it [17:00, 1.37s/it] 750it [17:02, 1.36s/it] 751it [17:03, 1.36s/it] 752it [17:04, 1.36s/it] 753it [17:06, 1.36s/it] 754it [17:07, 1.36s/it] 755it [17:08, 1.37s/it] 756it [17:10, 1.38s/it] 757it [17:11, 1.39s/it] 758it [17:13, 1.38s/it] 759it [17:14, 1.37s/it] 760it [17:15, 1.37s/it] 761it [17:17, 1.37s/it] 762it [17:18, 1.37s/it] 763it [17:19, 1.36s/it] 764it [17:21, 1.37s/it] 765it [17:22, 1.37s/it] 766it [17:24, 1.38s/it] 767it [17:25, 1.38s/it] 768it [17:26, 1.37s/it] 769it [17:28, 1.37s/it] 770it [17:29, 1.37s/it] 771it [17:30, 1.38s/it] 772it [17:32, 1.38s/it] 773it [17:33, 1.38s/it] 774it [17:35, 1.38s/it] 775it [17:36, 1.38s/it] 776it [17:37, 1.38s/it] 777it [17:39, 1.38s/it] 778it [17:40, 1.39s/it] 779it [17:41, 1.39s/it] 780it [17:43, 1.39s/it] 781it [17:44, 1.39s/it] 782it [17:46, 1.38s/it] 783it [17:47, 1.38s/it] 784it [17:48, 1.38s/it] 785it [17:50, 1.38s/it] 786it [17:51, 1.38s/it] 787it [17:53, 1.38s/it] 788it [17:54, 1.38s/it] 789it [17:55, 1.37s/it] 790it [17:57, 1.37s/it] 791it [17:58, 1.37s/it] 792it [17:59, 1.37s/it] 793it [18:01, 1.36s/it] 794it [18:02, 1.37s/it] 795it [18:03, 1.38s/it] 796it [18:05, 1.39s/it] 797it [18:06, 1.40s/it] 798it [18:08, 1.40s/it] 799it [18:09, 1.40s/it] 800it [18:11, 1.40s/it] 801it [18:12, 1.39s/it] 802it [18:13, 1.38s/it] 803it [18:15, 1.37s/it] 804it [18:16, 1.37s/it] 805it [18:17, 1.36s/it] 806it [18:19, 1.35s/it] 807it [18:20, 1.37s/it] 808it [18:21, 1.39s/it] 809it [18:23, 1.40s/it] 810it [18:24, 1.40s/it] 811it [18:26, 1.41s/it] 812it [18:27, 1.41s/it] 813it [18:29, 1.40s/it] 814it [18:30, 1.39s/it] 815it [18:31, 1.38s/it] 816it [18:33, 1.37s/it] 817it [18:34, 1.37s/it] 818it [18:35, 1.38s/it] 819it [18:37, 1.39s/it] 820it [18:38, 1.39s/it] 821it [18:40, 1.40s/it] 822it [18:41, 1.40s/it] 823it [18:42, 1.40s/it] 824it [18:44, 1.39s/it] 825it [18:45, 1.38s/it] 826it [18:47, 1.39s/it] 827it [18:48, 1.40s/it] 828it [18:49, 1.40s/it] 829it [18:51, 1.40s/it] 830it [18:52, 1.40s/it] 831it [18:54, 1.40s/it] 832it [18:55, 1.39s/it] 833it [18:56, 1.38s/it] 834it [18:58, 1.37s/it] 835it [18:59, 1.36s/it] 836it [19:00, 1.35s/it] 837it [19:02, 1.35s/it] 838it [19:03, 1.35s/it] 839it [19:04, 1.36s/it] 840it [19:06, 1.37s/it] 841it [19:07, 1.37s/it] 842it [19:09, 1.36s/it] 843it [19:10, 1.36s/it] 844it [19:11, 1.35s/it] 845it [19:13, 1.35s/it] 846it [19:14, 1.35s/it] 847it [19:15, 1.35s/it] 848it [19:17, 1.35s/it] 849it [19:18, 1.36s/it] 850it [19:19, 1.37s/it] 851it [19:21, 1.38s/it] 852it [19:22, 1.38s/it] 853it [19:24, 1.39s/it] 854it [19:25, 1.39s/it] 855it [19:26, 1.38s/it] 856it [19:28, 1.37s/it] 857it [19:29, 1.37s/it] 858it [19:30, 1.36s/it] 859it [19:32, 1.36s/it] 860it [19:33, 1.36s/it] 861it [19:34, 1.36s/it] 862it [19:36, 1.35s/it] 863it [19:37, 1.36s/it] 864it [19:39, 1.37s/it] 865it [19:40, 1.37s/it] 866it [19:41, 1.37s/it] 867it [19:43, 1.37s/it] 868it [19:44, 1.37s/it] 869it [19:45, 1.36s/it] 870it [19:47, 1.34s/it] 871it [19:48, 1.33s/it] 872it [19:49, 1.32s/it] 873it [19:51, 1.31s/it] 874it [19:52, 1.31s/it] 875it [19:53, 1.30s/it] 876it [19:54, 1.30s/it] 877it [19:56, 1.29s/it] 878it [19:57, 1.31s/it] 879it [19:58, 1.32s/it] 880it [20:00, 1.32s/it] 881it [20:01, 1.33s/it] 882it [20:02, 1.33s/it] 883it [20:04, 1.34s/it] 884it [20:05, 1.35s/it] 885it [20:07, 1.35s/it] 886it [20:08, 1.36s/it] 887it [20:09, 1.37s/it] 888it [20:11, 1.37s/it] 889it [20:12, 1.38s/it] 890it [20:13, 1.38s/it] 891it [20:15, 1.39s/it] 892it [20:16, 1.37s/it] 893it [20:18, 1.36s/it] 894it [20:19, 1.35s/it] 895it [20:20, 1.34s/it] 896it [20:21, 1.33s/it] 897it [20:23, 1.33s/it] 898it [20:24, 1.34s/it] 899it [20:25, 1.34s/it] 900it [20:27, 1.34s/it] 901it [20:28, 1.33s/it] 902it [20:29, 1.34s/it] 903it [20:31, 1.34s/it] 904it [20:32, 1.34s/it] 905it [20:33, 1.33s/it] 906it [20:35, 1.33s/it] 907it [20:36, 1.32s/it] 908it [20:37, 1.32s/it] 909it [20:39, 1.33s/it] 910it [20:40, 1.33s/it] 911it [20:41, 1.34s/it] 912it [20:43, 1.34s/it] 913it [20:44, 1.34s/it] 914it [20:45, 1.33s/it] 915it [20:47, 1.32s/it] 916it [20:48, 1.32s/it] 917it [20:49, 1.32s/it] 918it [20:51, 1.32s/it] 919it [20:52, 1.32s/it] 920it [20:53, 1.33s/it] 921it [20:55, 1.34s/it] 922it [20:56, 1.35s/it] 923it [20:57, 1.36s/it] 924it [20:59, 1.37s/it] 925it [21:00, 1.38s/it] 926it [21:02, 1.37s/it] 927it [21:03, 1.37s/it] 928it [21:04, 1.36s/it] 929it [21:06, 1.36s/it] 930it [21:07, 1.36s/it] 931it [21:08, 1.36s/it] 932it [21:10, 1.37s/it] 933it [21:11, 1.37s/it] 934it [21:13, 1.38s/it] 935it [21:14, 1.38s/it] 936it [21:15, 1.38s/it] 937it [21:17, 1.39s/it] 938it [21:18, 1.39s/it] 939it [21:20, 1.39s/it] 940it [21:21, 1.38s/it] 941it [21:22, 1.37s/it] 942it [21:24, 1.36s/it] 943it [21:25, 1.36s/it] 944it [21:26, 1.36s/it] 945it [21:28, 1.36s/it] 946it [21:29, 1.36s/it] 947it [21:30, 1.36s/it] 948it [21:32, 1.36s/it] 949it [21:33, 1.35s/it] 950it [21:34, 1.35s/it] 951it [21:36, 1.34s/it] 952it [21:37, 1.34s/it] 953it [21:38, 1.35s/it] 954it [21:40, 1.35s/it] 955it [21:41, 1.35s/it] 956it [21:43, 1.36s/it] 957it [21:44, 1.35s/it] 958it [21:45, 1.36s/it] 959it [21:47, 1.36s/it] 960it [21:48, 1.36s/it] 961it [21:49, 1.37s/it] 962it [21:51, 1.37s/it] 963it [21:52, 1.37s/it] 964it [21:53, 1.38s/it] 965it [21:55, 1.38s/it] 966it [21:56, 1.39s/it] 967it [21:58, 1.38s/it] 968it [21:59, 1.37s/it] 969it [22:00, 1.36s/it] 970it [22:02, 1.35s/it] 971it [22:03, 1.34s/it] 972it [22:04, 1.34s/it] 973it [22:06, 1.34s/it] 974it [22:07, 1.34s/it] 975it [22:08, 1.34s/it] 976it [22:10, 1.34s/it] 977it [22:11, 1.34s/it] 978it [22:12, 1.35s/it] 979it [22:14, 1.35s/it] 980it [22:15, 1.35s/it] 981it [22:16, 1.36s/it] 982it [22:18, 1.36s/it] 983it [22:19, 1.36s/it] 984it [22:21, 1.37s/it] 985it [22:22, 1.38s/it] 986it [22:23, 1.38s/it] 987it [22:25, 1.38s/it] 988it [22:26, 1.37s/it] 989it [22:27, 1.36s/it] 990it [22:29, 1.36s/it] 991it [22:30, 1.36s/it] 992it [22:32, 1.36s/it] 993it [22:33, 1.37s/it] 994it [22:34, 1.36s/it] 995it [22:36, 1.35s/it] 996it [22:37, 1.34s/it] 997it [22:38, 1.33s/it] 998it [22:40, 1.34s/it] 999it [22:41, 1.35s/it] 1000it [22:42, 1.36s/it] 1000it [22:42, 1.36s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:31.864394 +⏰ Completed process in 0:22:43.296623 diff --git a/chunked/d4-dock_069.csv.gz b/chunked/d4-dock_069.csv.gz index 5189c56817ef9692b2e651962a002eb1a3c0cd36..7fec060e2101a88d142fa0afe8b8059a35285cbf 100644 --- a/chunked/d4-dock_069.csv.gz +++ b/chunked/d4-dock_069.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:7fb825cfc112e32de7fab5de30f3a20a12741c04ade216d97ec5ad2684dd220f -size 32950966 +oid sha256:653a5b935ddb5826e83c4666c19247fb1eab255075ecd9ea58b60b96db456ad2 +size 32950917 diff --git a/chunked/d4-dock_069.log b/chunked/d4-dock_069.log index 41636498b17b946a01e635dc6441007d7ff209f1..4ff2080ecc1a51d55966bbb5548c207e0b333b0a 100644 --- a/chunked/d4-dock_069.log +++ b/chunked/d4-dock_069.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.37s/it] 2it [00:02, 1.38s/it] 3it [00:04, 1.39s/it] 4it [00:05, 1.39s/it] 5it [00:06, 1.39s/it] 6it [00:08, 1.41s/it] 7it [00:09, 1.41s/it] 8it [00:11, 1.40s/it] 9it [00:12, 1.39s/it] 10it [00:13, 1.37s/it] 11it [00:15, 1.37s/it] 12it [00:16, 1.39s/it] 13it [00:18, 1.39s/it] 14it [00:19, 1.40s/it] 15it [00:20, 1.41s/it] 16it [00:22, 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[20:56, 1.36s/it] 932it [20:58, 1.36s/it] 933it [20:59, 1.35s/it] 934it [21:00, 1.35s/it] 935it [21:02, 1.35s/it] 936it [21:03, 1.35s/it] 937it [21:04, 1.35s/it] 938it [21:06, 1.35s/it] 939it [21:07, 1.35s/it] 940it [21:08, 1.35s/it] 941it [21:10, 1.35s/it] 942it [21:11, 1.35s/it] 943it [21:12, 1.35s/it] 944it [21:14, 1.35s/it] 945it [21:15, 1.36s/it] 946it [21:16, 1.35s/it] 947it [21:18, 1.35s/it] 948it [21:19, 1.35s/it] 949it [21:21, 1.38s/it] 950it [21:22, 1.38s/it] 951it [21:23, 1.38s/it] 952it [21:25, 1.38s/it] 953it [21:26, 1.37s/it] 954it [21:27, 1.36s/it] 955it [21:29, 1.36s/it] 956it [21:30, 1.36s/it] 957it [21:31, 1.36s/it] 958it [21:33, 1.34s/it] 959it [21:34, 1.35s/it] 960it [21:36, 1.35s/it] 961it [21:37, 1.35s/it] 962it [21:38, 1.35s/it] 963it [21:40, 1.35s/it] 964it [21:41, 1.35s/it] 965it [21:42, 1.35s/it] 966it [21:44, 1.36s/it] 967it [21:45, 1.36s/it] 968it [21:46, 1.35s/it] 969it [21:48, 1.34s/it] 970it [21:49, 1.33s/it] 971it [21:50, 1.33s/it] 972it [21:52, 1.32s/it] 973it [21:53, 1.34s/it] 974it [21:54, 1.35s/it] 975it [21:56, 1.35s/it] 976it [21:57, 1.35s/it] 977it [21:58, 1.35s/it] 978it [22:00, 1.35s/it] 979it [22:01, 1.35s/it] 980it [22:02, 1.36s/it] 981it [22:04, 1.36s/it] 982it [22:05, 1.36s/it] 983it [22:07, 1.37s/it] 984it [22:08, 1.36s/it] 985it [22:09, 1.36s/it] 986it [22:11, 1.36s/it] 987it [22:12, 1.35s/it] 988it [22:13, 1.35s/it] 989it [22:15, 1.34s/it] 990it [22:16, 1.34s/it] 991it [22:17, 1.33s/it] 992it [22:19, 1.31s/it] 993it [22:20, 1.30s/it] 994it [22:21, 1.31s/it] 995it [22:22, 1.31s/it] 996it [22:24, 1.33s/it] 997it [22:25, 1.33s/it] 998it [22:27, 1.33s/it] 999it [22:28, 1.34s/it] 1000it [22:29, 1.35s/it] 1000it [22:29, 1.35s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:44.289363 +⏰ Completed process in 0:22:30.277426 diff --git a/chunked/d4-dock_070.csv.gz b/chunked/d4-dock_070.csv.gz index 15bec05296e49445d97eddb6070dd9ed34ec4124..6ec5692fbbd031105f8e52fdb89c7364f9486516 100644 --- a/chunked/d4-dock_070.csv.gz +++ b/chunked/d4-dock_070.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:fa3603104fa95ec7ae11d46c183fdc1b8a96e2907f2fd63d1b6b232647568024 -size 32998311 +oid sha256:8ff07118a40da3b0aaaeeb9f9e2af1b3236b38fd3c159169fb4612baa468d987 +size 32998278 diff --git a/chunked/d4-dock_070.log b/chunked/d4-dock_070.log index 59d31b4b83e127d78c190ecb75d0a36e1b5634b8..43be5979c19eccbe4afada09fc54d1c9b3189829 100644 --- a/chunked/d4-dock_070.log +++ b/chunked/d4-dock_070.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.34s/it] 2it [00:02, 1.34s/it] 3it [00:03, 1.33s/it] 4it [00:05, 1.32s/it] 5it [00:06, 1.31s/it] 6it [00:07, 1.30s/it] 7it [00:09, 1.30s/it] 8it [00:10, 1.30s/it] 9it [00:11, 1.30s/it] 10it [00:13, 1.29s/it] 11it [00:14, 1.29s/it] 12it [00:15, 1.29s/it] 13it [00:16, 1.29s/it] 14it [00:18, 1.29s/it] 15it [00:19, 1.29s/it] 16it [00:20, 1.29s/it] 17it [00:22, 1.29s/it] 18it [00:23, 1.29s/it] 19it [00:24, 1.29s/it] 20it [00:25, 1.29s/it] 21it [00:27, 1.30s/it] 22it [00:28, 1.29s/it] 23it [00:29, 1.28s/it] 24it [00:31, 1.28s/it] 25it [00:32, 1.27s/it] 26it [00:33, 1.27s/it] 27it [00:34, 1.28s/it] 28it [00:36, 1.27s/it] 29it [00:37, 1.28s/it] 30it [00:38, 1.28s/it] 31it [00:39, 1.28s/it] 32it [00:41, 1.28s/it] 33it [00:42, 1.28s/it] 34it [00:43, 1.28s/it] 35it [00:45, 1.27s/it] 36it [00:46, 1.28s/it] 37it [00:47, 1.29s/it] 38it [00:48, 1.29s/it] 39it [00:50, 1.29s/it] 40it [00:51, 1.29s/it] 41it [00:52, 1.29s/it] 42it [00:54, 1.30s/it] 43it [00:55, 1.30s/it] 44it [00:56, 1.29s/it] 45it [00:58, 1.30s/it] 46it [00:59, 1.30s/it] 47it [01:00, 1.30s/it] 48it [01:01, 1.29s/it] 49it [01:03, 1.29s/it] 50it [01:04, 1.29s/it] 51it [01:05, 1.29s/it] 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1.31s/it] 717it [15:33, 1.31s/it] 718it [15:34, 1.31s/it] 719it [15:35, 1.31s/it] 720it [15:36, 1.30s/it] 721it [15:38, 1.30s/it] 722it [15:39, 1.30s/it] 723it [15:40, 1.29s/it] 724it [15:42, 1.29s/it] 725it [15:43, 1.28s/it] 726it [15:44, 1.28s/it] 727it [15:45, 1.28s/it] 728it [15:47, 1.28s/it] 729it [15:48, 1.28s/it] 730it [15:49, 1.28s/it] 731it [15:51, 1.28s/it] 732it [15:52, 1.28s/it] 733it [15:53, 1.28s/it] 734it [15:54, 1.29s/it] 735it [15:56, 1.29s/it] 736it [15:57, 1.30s/it] 737it [15:58, 1.30s/it] 738it [16:00, 1.30s/it] 739it [16:01, 1.29s/it] 740it [16:02, 1.29s/it] 741it [16:03, 1.29s/it] 742it [16:05, 1.28s/it] 743it [16:06, 1.29s/it] 744it [16:07, 1.29s/it] 745it [16:09, 1.29s/it] 746it [16:10, 1.29s/it] 747it [16:11, 1.29s/it] 748it [16:12, 1.29s/it] 749it [16:14, 1.29s/it] 750it [16:15, 1.29s/it] 751it [16:16, 1.29s/it] 752it [16:18, 1.29s/it] 753it [16:19, 1.28s/it] 754it [16:20, 1.28s/it] 755it [16:21, 1.28s/it] 756it [16:23, 1.28s/it] 757it [16:24, 1.28s/it] 758it [16:25, 1.27s/it] 759it [16:27, 1.27s/it] 760it [16:28, 1.26s/it] 761it [16:29, 1.26s/it] 762it [16:30, 1.26s/it] 763it [16:32, 1.26s/it] 764it [16:33, 1.27s/it] 765it [16:34, 1.28s/it] 766it [16:35, 1.29s/it] 767it [16:37, 1.29s/it] 768it [16:38, 1.29s/it] 769it [16:39, 1.28s/it] 770it [16:41, 1.28s/it] 771it [16:42, 1.28s/it] 772it [16:43, 1.29s/it] 773it [16:44, 1.29s/it] 774it [16:46, 1.29s/it] 775it [16:47, 1.29s/it] 776it [16:48, 1.28s/it] 777it [16:50, 1.27s/it] 778it [16:51, 1.26s/it] 779it [16:52, 1.27s/it] 780it [16:53, 1.27s/it] 781it [16:55, 1.27s/it] 782it [16:56, 1.27s/it] 783it [16:57, 1.27s/it] 784it [16:58, 1.27s/it] 785it [17:00, 1.27s/it] 786it [17:01, 1.27s/it] 787it [17:02, 1.27s/it] 788it [17:04, 1.27s/it] 789it [17:05, 1.27s/it] 790it [17:06, 1.26s/it] 791it [17:07, 1.24s/it] 792it [17:08, 1.25s/it] 793it [17:10, 1.25s/it] 794it [17:11, 1.25s/it] 795it [17:12, 1.26s/it] 796it [17:14, 1.26s/it] 797it [17:15, 1.26s/it] 798it [17:16, 1.27s/it] 799it [17:17, 1.28s/it] 800it [17:19, 1.28s/it] 801it [17:20, 1.28s/it] 802it [17:21, 1.28s/it] 803it [17:22, 1.28s/it] 804it [17:24, 1.27s/it] 805it [17:25, 1.27s/it] 806it [17:26, 1.27s/it] 807it [17:28, 1.27s/it] 808it [17:29, 1.26s/it] 809it [17:30, 1.26s/it] 810it [17:31, 1.26s/it] 811it [17:33, 1.27s/it] 812it [17:34, 1.28s/it] 813it [17:35, 1.28s/it] 814it [17:36, 1.28s/it] 815it [17:38, 1.29s/it] 816it [17:39, 1.29s/it] 817it [17:40, 1.28s/it] 818it [17:42, 1.29s/it] 819it [17:43, 1.28s/it] 820it [17:44, 1.27s/it] 821it [17:45, 1.28s/it] 822it [17:47, 1.28s/it] 823it [17:48, 1.27s/it] 824it [17:49, 1.27s/it] 825it [17:51, 1.27s/it] 826it [17:52, 1.28s/it] 827it [17:53, 1.31s/it] 828it [17:54, 1.30s/it] 829it [17:56, 1.30s/it] 830it [17:57, 1.30s/it] 831it [17:58, 1.29s/it] 832it [18:00, 1.29s/it] 833it [18:01, 1.29s/it] 834it [18:02, 1.29s/it] 835it [18:03, 1.29s/it] 836it [18:05, 1.29s/it] 837it [18:06, 1.29s/it] 838it [18:07, 1.29s/it] 839it [18:09, 1.29s/it] 840it [18:10, 1.30s/it] 841it 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1.29s/it] 883it [19:05, 1.29s/it] 884it [19:07, 1.29s/it] 885it [19:08, 1.29s/it] 886it [19:09, 1.29s/it] 887it [19:10, 1.29s/it] 888it [19:12, 1.29s/it] 889it [19:13, 1.29s/it] 890it [19:14, 1.29s/it] 891it [19:16, 1.29s/it] 892it [19:17, 1.30s/it] 893it [19:18, 1.29s/it] 894it [19:20, 1.29s/it] 895it [19:21, 1.29s/it] 896it [19:22, 1.30s/it] 897it [19:23, 1.29s/it] 898it [19:25, 1.29s/it] 899it [19:26, 1.29s/it] 900it [19:27, 1.29s/it] 901it [19:29, 1.30s/it] 902it [19:30, 1.29s/it] 903it [19:31, 1.29s/it] 904it [19:32, 1.28s/it] 905it [19:34, 1.29s/it] 906it [19:35, 1.29s/it] 907it [19:36, 1.30s/it] 908it [19:38, 1.30s/it] 909it [19:39, 1.30s/it] 910it [19:40, 1.30s/it] 911it [19:42, 1.30s/it] 912it [19:43, 1.30s/it] 913it [19:44, 1.29s/it] 914it [19:45, 1.30s/it] 915it [19:47, 1.30s/it] 916it [19:48, 1.30s/it] 917it [19:49, 1.30s/it] 918it [19:51, 1.30s/it] 919it [19:52, 1.30s/it] 920it [19:53, 1.29s/it] 921it [19:54, 1.30s/it] 922it [19:56, 1.30s/it] 923it [19:57, 1.30s/it] 924it [19:58, 1.30s/it] 925it [20:00, 1.30s/it] 926it [20:01, 1.30s/it] 927it [20:02, 1.31s/it] 928it [20:04, 1.31s/it] 929it [20:05, 1.31s/it] 930it [20:06, 1.31s/it] 931it [20:08, 1.30s/it] 932it [20:09, 1.31s/it] 933it [20:10, 1.30s/it] 934it [20:11, 1.30s/it] 935it [20:13, 1.30s/it] 936it [20:14, 1.30s/it] 937it [20:15, 1.31s/it] 938it [20:17, 1.30s/it] 939it [20:18, 1.31s/it] 940it [20:19, 1.30s/it] 941it [20:21, 1.30s/it] 942it [20:22, 1.30s/it] 943it [20:23, 1.30s/it] 944it [20:24, 1.29s/it] 945it [20:26, 1.29s/it] 946it [20:27, 1.30s/it] 947it [20:28, 1.30s/it] 948it [20:30, 1.29s/it] 949it [20:31, 1.29s/it] 950it [20:32, 1.29s/it] 951it [20:33, 1.29s/it] 952it [20:35, 1.29s/it] 953it [20:36, 1.29s/it] 954it [20:37, 1.29s/it] 955it [20:39, 1.28s/it] 956it [20:40, 1.29s/it] 957it [20:41, 1.29s/it] 958it [20:42, 1.29s/it] 959it [20:44, 1.28s/it] 960it [20:45, 1.28s/it] 961it [20:46, 1.28s/it] 962it [20:48, 1.27s/it] 963it [20:49, 1.27s/it] 964it [20:50, 1.28s/it] 965it [20:51, 1.29s/it] 966it [20:53, 1.30s/it] 967it [20:54, 1.30s/it] 968it [20:55, 1.29s/it] 969it [20:57, 1.28s/it] 970it [20:58, 1.27s/it] 971it [20:59, 1.26s/it] 972it [21:00, 1.26s/it] 973it [21:02, 1.26s/it] 974it [21:03, 1.28s/it] 975it [21:04, 1.28s/it] 976it [21:06, 1.29s/it] 977it [21:07, 1.28s/it] 978it [21:08, 1.29s/it] 979it [21:09, 1.28s/it] 980it [21:11, 1.28s/it] 981it [21:12, 1.28s/it] 982it [21:13, 1.27s/it] 983it [21:14, 1.27s/it] 984it [21:16, 1.27s/it] 985it [21:17, 1.27s/it] 986it [21:18, 1.27s/it] 987it [21:20, 1.27s/it] 988it [21:21, 1.27s/it] 989it [21:22, 1.28s/it] 990it [21:23, 1.29s/it] 991it [21:25, 1.29s/it] 992it [21:26, 1.30s/it] 993it [21:27, 1.30s/it] 994it [21:29, 1.29s/it] 995it [21:30, 1.28s/it] 996it [21:31, 1.28s/it] 997it [21:32, 1.27s/it] 998it [21:34, 1.26s/it] 999it [21:35, 1.27s/it] 1000it [21:36, 1.28s/it] 1000it [21:36, 1.30s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:21:50.923375 +⏰ Completed process in 0:21:37.216586 diff --git a/chunked/d4-dock_071.csv.gz b/chunked/d4-dock_071.csv.gz index 9e1a4329ba72506440a37599beb933500afd8530..10a32feb247ffb0df7048b8e377376d2ad4f0373 100644 --- a/chunked/d4-dock_071.csv.gz +++ b/chunked/d4-dock_071.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:095c15bb1b47fca3eefb2ebfa372dafe3a578c21fc7038d000e29644798fe07f -size 31178665 +oid sha256:1d13ff38b962737f23fb347889d903a43f2e4d07fb2b00adb21a5a1f2bc7af31 +size 31178666 diff --git a/chunked/d4-dock_071.log b/chunked/d4-dock_071.log index dddc48156d4c7c2439ae6f569ffed4dae822fb96..e37ca6e71d1562e98fbe5cefa8f75f39f6e21d71 100644 --- a/chunked/d4-dock_071.log +++ b/chunked/d4-dock_071.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.32s/it] 2it [00:02, 1.31s/it] 3it [00:03, 1.32s/it] 4it [00:05, 1.31s/it] 5it [00:06, 1.30s/it] 6it [00:07, 1.29s/it] 7it [00:09, 1.29s/it] 8it [00:10, 1.28s/it] 9it [00:11, 1.28s/it] 10it [00:12, 1.28s/it] 11it [00:14, 1.27s/it] 12it [00:15, 1.27s/it] 13it [00:16, 1.27s/it] 14it [00:17, 1.27s/it] 15it [00:19, 1.27s/it] 16it [00:20, 1.26s/it] 17it [00:21, 1.25s/it] 18it [00:22, 1.25s/it] 19it [00:24, 1.25s/it] 20it [00:25, 1.25s/it] 21it [00:26, 1.25s/it] 22it [00:27, 1.26s/it] 23it [00:29, 1.27s/it] 24it [00:30, 1.27s/it] 25it [00:31, 1.27s/it] 26it [00:33, 1.26s/it] 27it [00:34, 1.26s/it] 28it [00:35, 1.25s/it] 29it [00:36, 1.25s/it] 30it [00:38, 1.25s/it] 31it [00:39, 1.24s/it] 32it [00:40, 1.24s/it] 33it [00:41, 1.25s/it] 34it [00:43, 1.25s/it] 35it [00:44, 1.25s/it] 36it [00:45, 1.24s/it] 37it [00:46, 1.24s/it] 38it [00:47, 1.23s/it] 39it [00:49, 1.23s/it] 40it [00:50, 1.23s/it] 41it [00:51, 1.23s/it] 42it [00:52, 1.24s/it] 43it [00:54, 1.24s/it] 44it [00:55, 1.24s/it] 45it [00:56, 1.25s/it] 46it [00:57, 1.25s/it] 47it 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[19:01, 1.57s/it] 879it [19:03, 1.65s/it] 880it [19:05, 1.71s/it] 881it [19:07, 1.74s/it] 882it [19:08, 1.75s/it] 883it [19:10, 1.77s/it] 884it [19:12, 1.79s/it] 885it [19:14, 1.78s/it] 886it [19:16, 1.79s/it] 887it [19:17, 1.80s/it] 888it [19:19, 1.68s/it] 889it [19:20, 1.57s/it] 890it [19:21, 1.49s/it] 891it [19:23, 1.44s/it] 892it [19:24, 1.40s/it] 893it [19:25, 1.38s/it] 894it [19:27, 1.36s/it] 895it [19:28, 1.35s/it] 896it [19:29, 1.34s/it] 897it [19:31, 1.33s/it] 898it [19:32, 1.33s/it] 899it [19:33, 1.33s/it] 900it [19:35, 1.33s/it] 901it [19:36, 1.33s/it] 902it [19:37, 1.32s/it] 903it [19:39, 1.32s/it] 904it [19:40, 1.32s/it] 905it [19:41, 1.32s/it] 906it [19:43, 1.32s/it] 907it [19:44, 1.32s/it] 908it [19:45, 1.32s/it] 909it [19:47, 1.32s/it] 910it [19:48, 1.32s/it] 911it [19:49, 1.32s/it] 912it [19:50, 1.32s/it] 913it [19:52, 1.31s/it] 914it [19:53, 1.31s/it] 915it [19:54, 1.30s/it] 916it [19:56, 1.30s/it] 917it [19:57, 1.30s/it] 918it [19:58, 1.30s/it] 919it [20:00, 1.30s/it] 920it [20:01, 1.31s/it] 921it [20:02, 1.31s/it] 922it [20:03, 1.31s/it] 923it [20:05, 1.30s/it] 924it [20:06, 1.31s/it] 925it [20:07, 1.30s/it] 926it [20:09, 1.31s/it] 927it [20:10, 1.31s/it] 928it [20:11, 1.31s/it] 929it [20:13, 1.31s/it] 930it [20:14, 1.31s/it] 931it [20:15, 1.31s/it] 932it [20:17, 1.31s/it] 933it [20:18, 1.31s/it] 934it [20:19, 1.31s/it] 935it [20:21, 1.31s/it] 936it [20:22, 1.31s/it] 937it [20:23, 1.31s/it] 938it [20:24, 1.30s/it] 939it [20:26, 1.30s/it] 940it [20:27, 1.30s/it] 941it [20:28, 1.30s/it] 942it [20:30, 1.30s/it] 943it [20:31, 1.30s/it] 944it [20:32, 1.31s/it] 945it [20:34, 1.31s/it] 946it [20:35, 1.31s/it] 947it [20:36, 1.31s/it] 948it [20:37, 1.31s/it] 949it [20:39, 1.31s/it] 950it [20:40, 1.31s/it] 951it [20:41, 1.31s/it] 952it [20:43, 1.31s/it] 953it [20:44, 1.32s/it] 954it [20:45, 1.32s/it] 955it [20:47, 1.32s/it] 956it [20:48, 1.31s/it] 957it [20:49, 1.31s/it] 958it [20:51, 1.31s/it] 959it [20:52, 1.31s/it] 960it [20:53, 1.32s/it] 961it [20:55, 1.32s/it] 962it [20:56, 1.32s/it] 963it [20:57, 1.32s/it] 964it [20:59, 1.32s/it] 965it [21:00, 1.32s/it] 966it [21:01, 1.32s/it] 967it [21:02, 1.31s/it] 968it [21:04, 1.31s/it] 969it [21:05, 1.31s/it] 970it [21:06, 1.31s/it] 971it [21:08, 1.32s/it] 972it [21:09, 1.33s/it] 973it [21:10, 1.32s/it] 974it [21:12, 1.33s/it] 975it [21:13, 1.33s/it] 976it [21:14, 1.33s/it] 977it [21:16, 1.32s/it] 978it [21:17, 1.32s/it] 979it [21:18, 1.32s/it] 980it [21:20, 1.32s/it] 981it [21:21, 1.32s/it] 982it [21:22, 1.32s/it] 983it [21:24, 1.32s/it] 984it [21:25, 1.32s/it] 985it [21:26, 1.32s/it] 986it [21:28, 1.32s/it] 987it [21:29, 1.31s/it] 988it [21:30, 1.31s/it] 989it [21:31, 1.31s/it] 990it [21:33, 1.31s/it] 991it [21:34, 1.31s/it] 992it [21:35, 1.31s/it] 993it [21:37, 1.30s/it] 994it [21:38, 1.30s/it] 995it [21:39, 1.30s/it] 996it [21:41, 1.30s/it] 997it [21:42, 1.30s/it] 998it [21:43, 1.30s/it] 999it [21:44, 1.30s/it] 1000it [21:46, 1.30s/it] 1000it [21:46, 1.31s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:02.240874 +⏰ Completed process in 0:21:46.792629 diff --git a/chunked/d4-dock_072.csv.gz b/chunked/d4-dock_072.csv.gz index 0af633f98dfde35c8147b9523e90a40c27e38306..0b176e4e3ef70a65c8dab37b161111d6b94c7431 100644 --- a/chunked/d4-dock_072.csv.gz +++ b/chunked/d4-dock_072.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:87c673734ad641ba6d6e5fecea83e25bab0585e3037d8b6f5fc4f489c8bb7aa5 -size 32008816 +oid sha256:d6bc2d8fdfd8a144f37034efd7d565131ac7b8e110f5827e3ad69ff40a0637ea +size 32008847 diff --git a/chunked/d4-dock_072.log b/chunked/d4-dock_072.log index cfff430b8274571ad5b9981a9095b93c36d2cccb..9d86d5a23bcdc912f4288d8bd9db80bc8da294d9 100644 --- a/chunked/d4-dock_072.log +++ b/chunked/d4-dock_072.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.35s/it] 2it [00:02, 1.33s/it] 3it [00:04, 1.34s/it] 4it [00:05, 1.34s/it] 5it [00:06, 1.34s/it] 6it [00:08, 1.34s/it] 7it [00:09, 1.34s/it] 8it [00:10, 1.33s/it] 9it [00:12, 1.33s/it] 10it [00:13, 1.33s/it] 11it [00:14, 1.34s/it] 12it [00:16, 1.34s/it] 13it [00:17, 1.34s/it] 14it [00:18, 1.34s/it] 15it [00:20, 1.34s/it] 16it [00:21, 1.34s/it] 17it [00:22, 1.34s/it] 18it [00:24, 1.34s/it] 19it [00:25, 1.34s/it] 20it [00:26, 1.33s/it] 21it [00:28, 1.33s/it] 22it [00:29, 1.33s/it] 23it [00:30, 1.34s/it] 24it [00:32, 1.34s/it] 25it [00:33, 1.35s/it] 26it [00:34, 1.35s/it] 27it [00:36, 1.35s/it] 28it [00:37, 1.35s/it] 29it [00:38, 1.34s/it] 30it [00:40, 1.35s/it] 31it [00:41, 1.34s/it] 32it [00:42, 1.34s/it] 33it [00:44, 1.34s/it] 34it [00:45, 1.35s/it] 35it [00:46, 1.35s/it] 36it [00:48, 1.35s/it] 37it [00:49, 1.35s/it] 38it [00:50, 1.34s/it] 39it [00:52, 1.35s/it] 40it [00:53, 1.33s/it] 41it [00:54, 1.33s/it] 42it [00:56, 1.33s/it] 43it [00:57, 1.33s/it] 44it [00:58, 1.33s/it] 45it [01:00, 1.33s/it] 46it [01:01, 1.33s/it] 47it [01:02, 1.32s/it] 48it [01:04, 1.33s/it] 49it [01:05, 1.32s/it] 50it [01:06, 1.33s/it] 51it [01:08, 1.33s/it] 52it [01:09, 1.33s/it] 53it [01:10, 1.33s/it] 54it [01:12, 1.33s/it] 55it [01:13, 1.33s/it] 56it [01:14, 1.34s/it] 57it [01:16, 1.34s/it] 58it [01:17, 1.34s/it] 59it [01:18, 1.34s/it] 60it [01:20, 1.34s/it] 61it [01:21, 1.34s/it] 62it [01:22, 1.35s/it] 63it [01:24, 1.36s/it] 64it [01:25, 1.36s/it] 65it [01:27, 1.35s/it] 66it [01:28, 1.35s/it] 67it [01:29, 1.34s/it] 68it [01:31, 1.34s/it] 69it [01:32, 1.34s/it] 70it [01:33, 1.34s/it] 71it [01:35, 1.34s/it] 72it [01:36, 1.34s/it] 73it [01:37, 1.34s/it] 74it [01:39, 1.33s/it] 75it [01:40, 1.34s/it] 76it [01:41, 1.34s/it] 77it [01:43, 1.34s/it] 78it [01:44, 1.34s/it] 79it [01:45, 1.35s/it] 80it [01:47, 1.34s/it] 81it [01:48, 1.34s/it] 82it [01:49, 1.33s/it] 83it [01:51, 1.33s/it] 84it [01:52, 1.34s/it] 85it [01:53, 1.33s/it] 86it [01:55, 1.33s/it] 87it [01:56, 1.34s/it] 88it [01:57, 1.35s/it] 89it [01:59, 1.35s/it] 90it [02:00, 1.35s/it] 91it [02:01, 1.35s/it] 92it [02:03, 1.35s/it] 93it [02:04, 1.35s/it] 94it [02:05, 1.35s/it] 95it [02:07, 1.35s/it] 96it [02:08, 1.36s/it] 97it [02:10, 1.36s/it] 98it [02:11, 1.36s/it] 99it [02:12, 1.36s/it] 100it [02:14, 1.37s/it] 101it [02:15, 1.37s/it] 102it [02:16, 1.37s/it] 103it [02:18, 1.36s/it] 104it [02:19, 1.36s/it] 105it [02:20, 1.36s/it] 106it [02:22, 1.36s/it] 107it [02:23, 1.35s/it] 108it [02:24, 1.34s/it] 109it [02:26, 1.34s/it] 110it [02:27, 1.34s/it] 111it [02:28, 1.34s/it] 112it [02:30, 1.34s/it] 113it [02:31, 1.34s/it] 114it [02:32, 1.34s/it] 115it [02:34, 1.34s/it] 116it [02:35, 1.34s/it] 117it [02:36, 1.33s/it] 118it [02:38, 1.33s/it] 119it [02:39, 1.34s/it] 120it [02:40, 1.34s/it] 121it [02:42, 1.34s/it] 122it [02:43, 1.33s/it] 123it [02:44, 1.32s/it] 124it [02:46, 1.31s/it] 125it [02:47, 1.31s/it] 126it [02:48, 1.31s/it] 127it [02:50, 1.31s/it] 128it [02:51, 1.31s/it] 129it [02:52, 1.31s/it] 130it [02:54, 1.31s/it] 131it [02:55, 1.32s/it] 132it [02:56, 1.33s/it] 133it [02:58, 1.33s/it] 134it [02:59, 1.33s/it] 135it [03:00, 1.34s/it] 136it [03:02, 1.34s/it] 137it [03:03, 1.34s/it] 138it [03:04, 1.34s/it] 139it [03:06, 1.34s/it] 140it [03:07, 1.34s/it] 141it [03:08, 1.34s/it] 142it [03:10, 1.33s/it] 143it [03:11, 1.33s/it] 144it [03:12, 1.33s/it] 145it [03:14, 1.33s/it] 146it [03:15, 1.32s/it] 147it [03:16, 1.32s/it] 148it [03:18, 1.32s/it] 149it [03:19, 1.33s/it] 150it [03:20, 1.32s/it] 151it [03:22, 1.32s/it] 152it [03:23, 1.32s/it] 153it [03:24, 1.32s/it] 154it [03:25, 1.31s/it] 155it [03:27, 1.31s/it] 156it [03:28, 1.31s/it] 157it [03:29, 1.32s/it] 158it [03:31, 1.32s/it] 159it [03:32, 1.32s/it] 160it [03:33, 1.32s/it] 161it [03:35, 1.32s/it] 162it [03:36, 1.33s/it] 163it [03:37, 1.33s/it] 164it [03:39, 1.33s/it] 165it [03:40, 1.33s/it] 166it [03:41, 1.33s/it] 167it [03:43, 1.33s/it] 168it [03:44, 1.33s/it] 169it [03:45, 1.33s/it] 170it [03:47, 1.33s/it] 171it [03:48, 1.33s/it] 172it [03:49, 1.33s/it] 173it [03:51, 1.34s/it] 174it [03:52, 1.34s/it] 175it [03:53, 1.34s/it] 176it [03:55, 1.34s/it] 177it [03:56, 1.34s/it] 178it [03:57, 1.34s/it] 179it [03:59, 1.35s/it] 180it [04:00, 1.35s/it] 181it [04:02, 1.35s/it] 182it [04:03, 1.35s/it] 183it [04:04, 1.35s/it] 184it [04:06, 1.35s/it] 185it [04:07, 1.34s/it] 186it [04:08, 1.34s/it] 187it [04:10, 1.33s/it] 188it [04:11, 1.34s/it] 189it [04:12, 1.33s/it] 190it [04:14, 1.33s/it] 191it [04:15, 1.33s/it] 192it [04:16, 1.33s/it] 193it [04:18, 1.34s/it] 194it [04:19, 1.34s/it] 195it [04:20, 1.34s/it] 196it [04:22, 1.34s/it] 197it [04:23, 1.35s/it] 198it [04:24, 1.35s/it] 199it [04:26, 1.35s/it] 200it [04:27, 1.35s/it] 201it [04:28, 1.35s/it] 202it [04:30, 1.35s/it] 203it [04:31, 1.35s/it] 204it [04:32, 1.35s/it] 205it [04:34, 1.35s/it] 206it [04:35, 1.35s/it] 207it [04:36, 1.35s/it] 208it [04:38, 1.35s/it] 209it [04:39, 1.36s/it] 210it [04:41, 1.37s/it] 211it 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1.37s/it] 253it [05:39, 1.37s/it] 254it [05:41, 1.37s/it] 255it [05:42, 1.36s/it] 256it [05:43, 1.36s/it] 257it [05:45, 1.36s/it] 258it [05:46, 1.36s/it] 259it [05:47, 1.36s/it] 260it [05:49, 1.36s/it] 261it [05:50, 1.36s/it] 262it [05:52, 1.36s/it] 263it [05:53, 1.36s/it] 264it [05:54, 1.36s/it] 265it [05:56, 1.36s/it] 266it [05:57, 1.36s/it] 267it [05:58, 1.36s/it] 268it [06:00, 1.36s/it] 269it [06:01, 1.35s/it] 270it [06:02, 1.35s/it] 271it [06:04, 1.35s/it] 272it [06:05, 1.35s/it] 273it [06:06, 1.35s/it] 274it [06:08, 1.35s/it] 275it [06:09, 1.35s/it] 276it [06:11, 1.35s/it] 277it [06:12, 1.36s/it] 278it [06:13, 1.36s/it] 279it [06:15, 1.36s/it] 280it [06:16, 1.36s/it] 281it [06:17, 1.36s/it] 282it [06:19, 1.35s/it] 283it [06:20, 1.36s/it] 284it [06:21, 1.35s/it] 285it [06:23, 1.34s/it] 286it [06:24, 1.35s/it] 287it [06:25, 1.35s/it] 288it [06:27, 1.35s/it] 289it [06:28, 1.35s/it] 290it [06:29, 1.36s/it] 291it [06:31, 1.36s/it] 292it [06:32, 1.36s/it] 293it [06:34, 1.35s/it] 294it 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[16:32, 1.29s/it] 750it [16:33, 1.29s/it] 751it [16:34, 1.29s/it] 752it [16:35, 1.29s/it] 753it [16:37, 1.30s/it] 754it [16:38, 1.30s/it] 755it [16:39, 1.31s/it] 756it [16:41, 1.31s/it] 757it [16:42, 1.31s/it] 758it [16:43, 1.32s/it] 759it [16:45, 1.33s/it] 760it [16:46, 1.33s/it] 761it [16:47, 1.33s/it] 762it [16:49, 1.33s/it] 763it [16:50, 1.33s/it] 764it [16:51, 1.33s/it] 765it [16:53, 1.33s/it] 766it [16:54, 1.33s/it] 767it [16:55, 1.33s/it] 768it [16:57, 1.33s/it] 769it [16:58, 1.33s/it] 770it [16:59, 1.33s/it] 771it [17:01, 1.33s/it] 772it [17:02, 1.33s/it] 773it [17:03, 1.32s/it] 774it [17:05, 1.32s/it] 775it [17:06, 1.32s/it] 776it [17:07, 1.32s/it] 777it [17:09, 1.32s/it] 778it [17:10, 1.32s/it] 779it [17:11, 1.33s/it] 780it [17:12, 1.33s/it] 781it [17:14, 1.33s/it] 782it [17:15, 1.32s/it] 783it [17:16, 1.32s/it] 784it [17:18, 1.31s/it] 785it [17:19, 1.30s/it] 786it [17:20, 1.30s/it] 787it [17:22, 1.29s/it] 788it [17:23, 1.29s/it] 789it [17:24, 1.30s/it] 790it [17:25, 1.30s/it] 791it [17:27, 1.31s/it] 792it [17:28, 1.29s/it] 793it [17:29, 1.29s/it] 794it [17:31, 1.29s/it] 795it [17:32, 1.29s/it] 796it [17:33, 1.29s/it] 797it [17:35, 1.30s/it] 798it [17:36, 1.31s/it] 799it [17:37, 1.32s/it] 800it [17:39, 1.32s/it] 801it [17:40, 1.33s/it] 802it [17:41, 1.34s/it] 803it [17:43, 1.34s/it] 804it [17:44, 1.34s/it] 805it [17:45, 1.34s/it] 806it [17:47, 1.34s/it] 807it [17:48, 1.33s/it] 808it [17:49, 1.34s/it] 809it [17:51, 1.33s/it] 810it [17:52, 1.34s/it] 811it [17:53, 1.34s/it] 812it [17:55, 1.34s/it] 813it [17:56, 1.33s/it] 814it [17:57, 1.33s/it] 815it [17:59, 1.33s/it] 816it [18:00, 1.33s/it] 817it [18:01, 1.33s/it] 818it [18:03, 1.32s/it] 819it [18:04, 1.31s/it] 820it [18:05, 1.32s/it] 821it [18:06, 1.32s/it] 822it [18:08, 1.32s/it] 823it [18:09, 1.32s/it] 824it [18:10, 1.32s/it] 825it [18:12, 1.31s/it] 826it [18:13, 1.31s/it] 827it [18:14, 1.32s/it] 828it [18:16, 1.32s/it] 829it [18:17, 1.32s/it] 830it [18:18, 1.31s/it] 831it [18:20, 1.31s/it] 832it [18:21, 1.31s/it] 833it [18:22, 1.31s/it] 834it [18:24, 1.31s/it] 835it [18:25, 1.31s/it] 836it [18:26, 1.31s/it] 837it [18:28, 1.32s/it] 838it [18:29, 1.33s/it] 839it [18:30, 1.32s/it] 840it [18:31, 1.32s/it] 841it [18:33, 1.32s/it] 842it [18:34, 1.31s/it] 843it [18:35, 1.31s/it] 844it [18:37, 1.32s/it] 845it [18:38, 1.32s/it] 846it [18:39, 1.31s/it] 847it [18:41, 1.30s/it] 848it [18:42, 1.29s/it] 849it [18:43, 1.29s/it] 850it [18:44, 1.29s/it] 851it [18:46, 1.29s/it] 852it [18:47, 1.29s/it] 853it [18:48, 1.29s/it] 854it [18:50, 1.29s/it] 855it [18:51, 1.29s/it] 856it [18:52, 1.30s/it] 857it [18:54, 1.30s/it] 858it [18:55, 1.31s/it] 859it [18:56, 1.30s/it] 860it [18:58, 1.30s/it] 861it [18:59, 1.30s/it] 862it [19:00, 1.30s/it] 863it [19:01, 1.30s/it] 864it [19:03, 1.30s/it] 865it [19:04, 1.30s/it] 866it [19:05, 1.30s/it] 867it [19:07, 1.31s/it] 868it [19:08, 1.31s/it] 869it [19:09, 1.31s/it] 870it [19:11, 1.30s/it] 871it [19:12, 1.30s/it] 872it [19:13, 1.30s/it] 873it [19:14, 1.30s/it] 874it [19:16, 1.30s/it] 875it [19:17, 1.30s/it] 876it [19:18, 1.30s/it] 877it [19:20, 1.30s/it] 878it [19:21, 1.30s/it] 879it [19:22, 1.30s/it] 880it [19:24, 1.30s/it] 881it [19:25, 1.30s/it] 882it [19:26, 1.30s/it] 883it [19:27, 1.30s/it] 884it [19:29, 1.31s/it] 885it [19:30, 1.31s/it] 886it [19:31, 1.32s/it] 887it [19:33, 1.32s/it] 888it [19:34, 1.32s/it] 889it [19:35, 1.32s/it] 890it [19:37, 1.32s/it] 891it [19:38, 1.32s/it] 892it [19:39, 1.33s/it] 893it [19:41, 1.33s/it] 894it [19:42, 1.33s/it] 895it [19:43, 1.33s/it] 896it [19:45, 1.33s/it] 897it [19:46, 1.33s/it] 898it [19:47, 1.33s/it] 899it [19:49, 1.33s/it] 900it [19:50, 1.33s/it] 901it [19:51, 1.33s/it] 902it [19:53, 1.33s/it] 903it [19:54, 1.33s/it] 904it [19:55, 1.33s/it] 905it [19:57, 1.33s/it] 906it [19:58, 1.33s/it] 907it [19:59, 1.33s/it] 908it [20:01, 1.34s/it] 909it [20:02, 1.34s/it] 910it [20:03, 1.33s/it] 911it [20:05, 1.33s/it] 912it [20:06, 1.33s/it] 913it [20:07, 1.33s/it] 914it [20:09, 1.32s/it] 915it [20:10, 1.33s/it] 916it [20:11, 1.33s/it] 917it [20:13, 1.33s/it] 918it [20:14, 1.33s/it] 919it [20:15, 1.33s/it] 920it [20:17, 1.33s/it] 921it [20:18, 1.34s/it] 922it [20:19, 1.33s/it] 923it [20:21, 1.34s/it] 924it [20:22, 1.33s/it] 925it [20:23, 1.34s/it] 926it [20:25, 1.34s/it] 927it [20:26, 1.34s/it] 928it [20:27, 1.33s/it] 929it [20:29, 1.33s/it] 930it [20:30, 1.33s/it] 931it [20:31, 1.33s/it] 932it [20:33, 1.33s/it] 933it [20:34, 1.33s/it] 934it [20:35, 1.33s/it] 935it [20:37, 1.34s/it] 936it [20:38, 1.34s/it] 937it [20:39, 1.33s/it] 938it [20:41, 1.33s/it] 939it [20:42, 1.33s/it] 940it [20:43, 1.33s/it] 941it [20:45, 1.33s/it] 942it [20:46, 1.33s/it] 943it [20:47, 1.33s/it] 944it [20:49, 1.33s/it] 945it [20:50, 1.33s/it] 946it [20:51, 1.32s/it] 947it [20:53, 1.32s/it] 948it [20:54, 1.32s/it] 949it [20:55, 1.32s/it] 950it [20:56, 1.31s/it] 951it [20:58, 1.31s/it] 952it [20:59, 1.31s/it] 953it [21:00, 1.31s/it] 954it [21:02, 1.31s/it] 955it [21:03, 1.31s/it] 956it [21:04, 1.31s/it] 957it [21:06, 1.31s/it] 958it [21:07, 1.31s/it] 959it [21:08, 1.30s/it] 960it [21:10, 1.30s/it] 961it [21:11, 1.30s/it] 962it [21:12, 1.30s/it] 963it [21:14, 1.31s/it] 964it [21:15, 1.31s/it] 965it [21:16, 1.31s/it] 966it [21:17, 1.31s/it] 967it [21:19, 1.31s/it] 968it [21:20, 1.31s/it] 969it [21:21, 1.32s/it] 970it [21:23, 1.32s/it] 971it [21:24, 1.31s/it] 972it [21:25, 1.32s/it] 973it [21:27, 1.31s/it] 974it [21:28, 1.31s/it] 975it [21:29, 1.31s/it] 976it [21:31, 1.31s/it] 977it [21:32, 1.31s/it] 978it [21:33, 1.31s/it] 979it [21:35, 1.31s/it] 980it [21:36, 1.31s/it] 981it [21:37, 1.31s/it] 982it [21:38, 1.31s/it] 983it [21:40, 1.31s/it] 984it [21:41, 1.31s/it] 985it [21:42, 1.31s/it] 986it [21:44, 1.31s/it] 987it [21:45, 1.31s/it] 988it [21:46, 1.30s/it] 989it [21:48, 1.30s/it] 990it [21:49, 1.30s/it] 991it [21:50, 1.30s/it] 992it [21:52, 1.31s/it] 993it [21:53, 1.30s/it] 994it [21:54, 1.30s/it] 995it [21:55, 1.31s/it] 996it [21:57, 1.31s/it] 997it [21:58, 1.31s/it] 998it [21:59, 1.30s/it] 999it [22:01, 1.30s/it] 1000it [22:02, 1.31s/it] 1000it [22:02, 1.32s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:25.224428 +⏰ Completed process in 0:22:02.929062 diff --git a/chunked/d4-dock_073.csv.gz b/chunked/d4-dock_073.csv.gz index 83f2f0f7f1a98a12a8abb73963c7b9e59b40f0d5..1349f87b0c3f1acff17eea68be8a9f1c36eebc4a 100644 --- a/chunked/d4-dock_073.csv.gz +++ b/chunked/d4-dock_073.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:af707549468c3abff56025d27dbf608ea8bca924e0e8d49ae82b9167d2dba471 -size 32068381 +oid sha256:c90a2859e9541a42ad974e66f361cac58082b235d73dde295f8f95190a9a57c1 +size 32068411 diff --git a/chunked/d4-dock_073.log b/chunked/d4-dock_073.log index 35cb3c183a806968494db904ac076c836bd303ea..b8a0063829586d5206836f02fcaebda506f13a52 100644 --- a/chunked/d4-dock_073.log +++ b/chunked/d4-dock_073.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.31s/it] 2it [00:02, 1.30s/it] 3it [00:03, 1.30s/it] 4it [00:05, 1.30s/it] 5it [00:06, 1.30s/it] 6it [00:07, 1.30s/it] 7it [00:09, 1.30s/it] 8it [00:10, 1.29s/it] 9it [00:11, 1.29s/it] 10it [00:12, 1.29s/it] 11it [00:14, 1.29s/it] 12it [00:15, 1.29s/it] 13it [00:16, 1.29s/it] 14it [00:18, 1.29s/it] 15it [00:19, 1.29s/it] 16it [00:20, 1.30s/it] 17it [00:22, 1.30s/it] 18it [00:23, 1.31s/it] 19it [00:24, 1.31s/it] 20it [00:25, 1.31s/it] 21it [00:27, 1.31s/it] 22it [00:28, 1.31s/it] 23it [00:29, 1.31s/it] 24it [00:31, 1.30s/it] 25it [00:32, 1.30s/it] 26it [00:33, 1.31s/it] 27it [00:35, 1.30s/it] 28it [00:36, 1.30s/it] 29it [00:37, 1.30s/it] 30it [00:38, 1.29s/it] 31it [00:40, 1.29s/it] 32it [00:41, 1.28s/it] 33it [00:42, 1.28s/it] 34it [00:44, 1.28s/it] 35it [00:45, 1.28s/it] 36it [00:46, 1.28s/it] 37it [00:47, 1.28s/it] 38it [00:49, 1.29s/it] 39it [00:50, 1.29s/it] 40it [00:51, 1.28s/it] 41it [00:53, 1.28s/it] 42it [00:54, 1.30s/it] 43it [00:55, 1.31s/it] 44it [00:57, 1.32s/it] 45it [00:58, 1.33s/it] 46it [00:59, 1.33s/it] 47it [01:01, 1.33s/it] 48it [01:02, 1.34s/it] 49it [01:03, 1.35s/it] 50it [01:05, 1.35s/it] 51it [01:06, 1.35s/it] 52it [01:07, 1.35s/it] 53it [01:09, 1.35s/it] 54it [01:10, 1.35s/it] 55it [01:11, 1.35s/it] 56it [01:13, 1.34s/it] 57it [01:14, 1.35s/it] 58it [01:16, 1.35s/it] 59it [01:17, 1.36s/it] 60it [01:18, 1.35s/it] 61it [01:20, 1.34s/it] 62it [01:21, 1.34s/it] 63it [01:22, 1.35s/it] 64it [01:24, 1.34s/it] 65it [01:25, 1.33s/it] 66it [01:26, 1.33s/it] 67it [01:28, 1.33s/it] 68it [01:29, 1.33s/it] 69it [01:30, 1.33s/it] 70it [01:32, 1.33s/it] 71it [01:33, 1.33s/it] 72it [01:34, 1.34s/it] 73it [01:36, 1.34s/it] 74it [01:37, 1.34s/it] 75it [01:38, 1.34s/it] 76it [01:40, 1.34s/it] 77it [01:41, 1.34s/it] 78it [01:42, 1.34s/it] 79it [01:44, 1.34s/it] 80it [01:45, 1.34s/it] 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[19:42, 1.30s/it] 911it [19:43, 1.30s/it] 912it [19:45, 1.30s/it] 913it [19:46, 1.29s/it] 914it [19:47, 1.30s/it] 915it [19:49, 1.31s/it] 916it [19:50, 1.31s/it] 917it [19:51, 1.32s/it] 918it [19:52, 1.31s/it] 919it [19:54, 1.31s/it] 920it [19:55, 1.31s/it] 921it [19:56, 1.31s/it] 922it [19:58, 1.31s/it] 923it [19:59, 1.31s/it] 924it [20:00, 1.30s/it] 925it [20:02, 1.31s/it] 926it [20:03, 1.32s/it] 927it [20:04, 1.31s/it] 928it [20:06, 1.30s/it] 929it [20:07, 1.31s/it] 930it [20:08, 1.31s/it] 931it [20:10, 1.32s/it] 932it [20:11, 1.33s/it] 933it [20:12, 1.33s/it] 934it [20:14, 1.33s/it] 935it [20:15, 1.33s/it] 936it [20:16, 1.33s/it] 937it [20:18, 1.33s/it] 938it [20:19, 1.32s/it] 939it [20:20, 1.32s/it] 940it [20:21, 1.32s/it] 941it [20:23, 1.32s/it] 942it [20:24, 1.31s/it] 943it [20:25, 1.31s/it] 944it [20:27, 1.31s/it] 945it [20:28, 1.30s/it] 946it [20:29, 1.28s/it] 947it [20:30, 1.28s/it] 948it [20:32, 1.28s/it] 949it [20:33, 1.29s/it] 950it [20:34, 1.29s/it] 951it [20:36, 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[21:30, 1.29s/it] 994it [21:31, 1.29s/it] 995it [21:33, 1.31s/it] 996it [21:34, 1.32s/it] 997it [21:35, 1.33s/it] 998it [21:37, 1.33s/it] 999it [21:38, 1.33s/it] 1000it [21:39, 1.33s/it] 1000it [21:39, 1.30s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:04.005225 +⏰ Completed process in 0:21:40.426672 diff --git a/chunked/d4-dock_074.csv.gz b/chunked/d4-dock_074.csv.gz index 4f57a8daf2b37d40a97779ecf40db398edb31590..c638446beb102b8740d9b23ba2148463212494ee 100644 --- a/chunked/d4-dock_074.csv.gz +++ b/chunked/d4-dock_074.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:64c014340bc006b2549764b8a3d3e12459bdf80bea2725627033666a9576a0a9 -size 32608477 +oid sha256:e2d5e572438db3131fb4be2f7641e0afb8ae296274f84e52034f8731dcf114d5 +size 32608493 diff --git a/chunked/d4-dock_074.log b/chunked/d4-dock_074.log index fc50d944475e51ae73775c393e29f98e85188b4c..ad7bfb981663a95407fbd975472ddabe28484426 100644 --- a/chunked/d4-dock_074.log +++ b/chunked/d4-dock_074.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.37s/it] 2it [00:02, 1.34s/it] 3it [00:04, 1.33s/it] 4it [00:05, 1.34s/it] 5it [00:06, 1.34s/it] 6it [00:08, 1.35s/it] 7it [00:09, 1.35s/it] 8it [00:10, 1.36s/it] 9it [00:12, 1.34s/it] 10it [00:13, 1.33s/it] 11it [00:14, 1.33s/it] 12it [00:16, 1.34s/it] 13it [00:17, 1.33s/it] 14it [00:18, 1.33s/it] 15it [00:20, 1.35s/it] 16it [00:21, 1.35s/it] 17it [00:22, 1.35s/it] 18it [00:24, 1.33s/it] 19it [00:25, 1.33s/it] 20it [00:26, 1.33s/it] 21it [00:28, 1.33s/it] 22it [00:29, 1.33s/it] 23it [00:30, 1.35s/it] 24it [00:32, 1.36s/it] 25it [00:33, 1.36s/it] 26it [00:34, 1.37s/it] 27it [00:36, 1.36s/it] 28it [00:37, 1.34s/it] 29it [00:38, 1.31s/it] 30it [00:40, 1.30s/it] 31it [00:41, 1.31s/it] 32it [00:42, 1.31s/it] 33it [00:44, 1.31s/it] 34it [00:45, 1.33s/it] 35it [00:46, 1.34s/it] 36it [00:48, 1.34s/it] 37it [00:49, 1.33s/it] 38it [00:50, 1.33s/it] 39it [00:52, 1.33s/it] 40it [00:53, 1.33s/it] 41it [00:54, 1.33s/it] 42it [00:56, 1.33s/it] 43it [00:57, 1.33s/it] 44it [00:58, 1.33s/it] 45it [01:00, 1.33s/it] 46it [01:01, 1.32s/it] 47it [01:02, 1.32s/it] 48it [01:04, 1.33s/it] 49it [01:05, 1.33s/it] 50it [01:06, 1.33s/it] 51it [01:08, 1.32s/it] 52it [01:09, 1.32s/it] 53it [01:10, 1.32s/it] 54it [01:12, 1.33s/it] 55it [01:13, 1.33s/it] 56it [01:14, 1.34s/it] 57it [01:16, 1.35s/it] 58it [01:17, 1.35s/it] 59it [01:18, 1.34s/it] 60it [01:20, 1.34s/it] 61it [01:21, 1.33s/it] 62it [01:22, 1.34s/it] 63it [01:24, 1.34s/it] 64it [01:25, 1.34s/it] 65it [01:26, 1.34s/it] 66it [01:28, 1.34s/it] 67it [01:29, 1.33s/it] 68it [01:30, 1.33s/it] 69it [01:32, 1.33s/it] 70it [01:33, 1.33s/it] 71it [01:34, 1.33s/it] 72it [01:36, 1.33s/it] 73it [01:37, 1.32s/it] 74it [01:38, 1.33s/it] 75it [01:40, 1.33s/it] 76it [01:41, 1.34s/it] 77it [01:42, 1.34s/it] 78it [01:44, 1.34s/it] 79it [01:45, 1.32s/it] 80it [01:46, 1.32s/it] 81it [01:48, 1.31s/it] 82it [01:49, 1.31s/it] 83it [01:50, 1.30s/it] 84it [01:51, 1.30s/it] 85it [01:53, 1.30s/it] 86it [01:54, 1.29s/it] 87it [01:55, 1.28s/it] 88it [01:57, 1.29s/it] 89it [01:58, 1.30s/it] 90it [01:59, 1.31s/it] 91it [02:00, 1.31s/it] 92it [02:02, 1.31s/it] 93it [02:03, 1.32s/it] 94it [02:04, 1.31s/it] 95it [02:06, 1.32s/it] 96it [02:07, 1.32s/it] 97it [02:08, 1.32s/it] 98it [02:10, 1.32s/it] 99it [02:11, 1.32s/it] 100it [02:12, 1.32s/it] 101it [02:14, 1.32s/it] 102it [02:15, 1.33s/it] 103it [02:16, 1.33s/it] 104it [02:18, 1.33s/it] 105it [02:19, 1.33s/it] 106it [02:20, 1.33s/it] 107it [02:22, 1.33s/it] 108it [02:23, 1.33s/it] 109it [02:24, 1.33s/it] 110it [02:26, 1.33s/it] 111it [02:27, 1.33s/it] 112it [02:28, 1.33s/it] 113it [02:30, 1.33s/it] 114it [02:31, 1.33s/it] 115it 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1.35s/it] 157it [03:29, 1.35s/it] 158it [03:30, 1.35s/it] 159it [03:31, 1.36s/it] 160it [03:33, 1.36s/it] 161it [03:34, 1.36s/it] 162it [03:35, 1.36s/it] 163it [03:37, 1.36s/it] 164it [03:38, 1.35s/it] 165it [03:40, 1.35s/it] 166it [03:41, 1.35s/it] 167it [03:42, 1.34s/it] 168it [03:44, 1.34s/it] 169it [03:45, 1.34s/it] 170it [03:46, 1.35s/it] 171it [03:48, 1.36s/it] 172it [03:49, 1.36s/it] 173it [03:50, 1.36s/it] 174it [03:52, 1.36s/it] 175it [03:53, 1.36s/it] 176it [03:54, 1.35s/it] 177it [03:56, 1.34s/it] 178it [03:57, 1.32s/it] 179it [03:58, 1.30s/it] 180it [04:00, 1.30s/it] 181it [04:01, 1.32s/it] 182it [04:02, 1.33s/it] 183it [04:04, 1.33s/it] 184it [04:05, 1.34s/it] 185it [04:06, 1.35s/it] 186it [04:08, 1.35s/it] 187it [04:09, 1.35s/it] 188it [04:10, 1.34s/it] 189it [04:12, 1.34s/it] 190it [04:13, 1.34s/it] 191it [04:14, 1.33s/it] 192it [04:16, 1.31s/it] 193it [04:17, 1.31s/it] 194it [04:18, 1.32s/it] 195it [04:20, 1.33s/it] 196it [04:21, 1.33s/it] 197it [04:22, 1.33s/it] 198it 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1.39s/it] 819it [18:42, 1.39s/it] 820it [18:43, 1.38s/it] 821it [18:44, 1.38s/it] 822it [18:46, 1.39s/it] 823it [18:47, 1.39s/it] 824it [18:48, 1.38s/it] 825it [18:50, 1.37s/it] 826it [18:51, 1.38s/it] 827it [18:53, 1.40s/it] 828it [18:54, 1.40s/it] 829it [18:55, 1.40s/it] 830it [18:57, 1.40s/it] 831it [18:58, 1.40s/it] 832it [19:00, 1.40s/it] 833it [19:01, 1.39s/it] 834it [19:02, 1.39s/it] 835it [19:04, 1.39s/it] 836it [19:05, 1.39s/it] 837it [19:07, 1.40s/it] 838it [19:08, 1.39s/it] 839it [19:09, 1.39s/it] 840it [19:11, 1.38s/it] 841it [19:12, 1.37s/it] 842it [19:13, 1.37s/it] 843it [19:15, 1.36s/it] 844it [19:16, 1.37s/it] 845it [19:18, 1.38s/it] 846it [19:19, 1.40s/it] 847it [19:20, 1.40s/it] 848it [19:22, 1.40s/it] 849it [19:23, 1.39s/it] 850it [19:25, 1.38s/it] 851it [19:26, 1.38s/it] 852it [19:27, 1.39s/it] 853it [19:29, 1.40s/it] 854it [19:30, 1.40s/it] 855it [19:32, 1.39s/it] 856it [19:33, 1.39s/it] 857it [19:34, 1.39s/it] 858it [19:36, 1.39s/it] 859it [19:37, 1.39s/it] 860it [19:39, 1.39s/it] 861it [19:40, 1.38s/it] 862it [19:41, 1.38s/it] 863it [19:43, 1.38s/it] 864it [19:44, 1.38s/it] 865it [19:45, 1.38s/it] 866it [19:47, 1.39s/it] 867it [19:48, 1.39s/it] 868it [19:50, 1.40s/it] 869it [19:51, 1.39s/it] 870it [19:52, 1.38s/it] 871it [19:54, 1.38s/it] 872it [19:55, 1.37s/it] 873it [19:56, 1.37s/it] 874it [19:58, 1.37s/it] 875it [19:59, 1.36s/it] 876it [20:01, 1.36s/it] 877it [20:02, 1.36s/it] 878it [20:03, 1.36s/it] 879it [20:05, 1.36s/it] 880it [20:06, 1.37s/it] 881it [20:07, 1.37s/it] 882it [20:09, 1.37s/it] 883it [20:10, 1.37s/it] 884it [20:11, 1.37s/it] 885it [20:13, 1.36s/it] 886it [20:14, 1.36s/it] 887it [20:16, 1.37s/it] 888it [20:17, 1.37s/it] 889it [20:18, 1.38s/it] 890it [20:20, 1.38s/it] 891it [20:21, 1.38s/it] 892it [20:22, 1.37s/it] 893it [20:24, 1.38s/it] 894it [20:25, 1.38s/it] 895it [20:27, 1.38s/it] 896it [20:28, 1.38s/it] 897it [20:29, 1.38s/it] 898it [20:31, 1.38s/it] 899it [20:32, 1.37s/it] 900it [20:33, 1.37s/it] 901it [20:35, 1.37s/it] 902it [20:36, 1.37s/it] 903it [20:38, 1.36s/it] 904it [20:39, 1.35s/it] 905it [20:40, 1.36s/it] 906it [20:42, 1.36s/it] 907it [20:43, 1.36s/it] 908it [20:44, 1.37s/it] 909it [20:46, 1.36s/it] 910it [20:47, 1.37s/it] 911it [20:48, 1.37s/it] 912it [20:50, 1.37s/it] 913it [20:51, 1.36s/it] 914it [20:53, 1.36s/it] 915it [20:54, 1.36s/it] 916it [20:55, 1.36s/it] 917it [20:57, 1.37s/it] 918it [20:58, 1.37s/it] 919it [20:59, 1.36s/it] 920it [21:01, 1.37s/it] 921it [21:02, 1.36s/it] 922it [21:03, 1.37s/it] 923it [21:05, 1.37s/it] 924it [21:06, 1.36s/it] 925it [21:08, 1.36s/it] 926it [21:09, 1.35s/it] 927it [21:10, 1.35s/it] 928it [21:12, 1.36s/it] 929it [21:13, 1.36s/it] 930it [21:14, 1.36s/it] 931it [21:16, 1.37s/it] 932it [21:17, 1.37s/it] 933it [21:18, 1.37s/it] 934it [21:20, 1.36s/it] 935it [21:21, 1.36s/it] 936it [21:23, 1.37s/it] 937it [21:24, 1.37s/it] 938it [21:25, 1.37s/it] 939it [21:27, 1.38s/it] 940it [21:28, 1.37s/it] 941it [21:29, 1.37s/it] 942it [21:31, 1.35s/it] 943it [21:32, 1.36s/it] 944it [21:33, 1.36s/it] 945it [21:35, 1.38s/it] 946it [21:36, 1.38s/it] 947it [21:38, 1.38s/it] 948it [21:39, 1.38s/it] 949it [21:40, 1.38s/it] 950it [21:42, 1.37s/it] 951it [21:43, 1.38s/it] 952it [21:45, 1.37s/it] 953it [21:46, 1.39s/it] 954it [21:47, 1.38s/it] 955it [21:49, 1.38s/it] 956it [21:50, 1.39s/it] 957it [21:51, 1.38s/it] 958it [21:53, 1.38s/it] 959it [21:54, 1.36s/it] 960it [21:56, 1.36s/it] 961it [21:57, 1.36s/it] 962it [21:58, 1.36s/it] 963it [22:00, 1.36s/it] 964it [22:01, 1.36s/it] 965it [22:02, 1.35s/it] 966it [22:04, 1.36s/it] 967it [22:05, 1.35s/it] 968it [22:06, 1.35s/it] 969it [22:08, 1.35s/it] 970it [22:09, 1.35s/it] 971it [22:10, 1.36s/it] 972it [22:12, 1.35s/it] 973it [22:13, 1.36s/it] 974it [22:14, 1.36s/it] 975it [22:16, 1.37s/it] 976it [22:17, 1.37s/it] 977it [22:19, 1.37s/it] 978it [22:20, 1.37s/it] 979it [22:21, 1.37s/it] 980it [22:23, 1.37s/it] 981it [22:24, 1.37s/it] 982it [22:25, 1.37s/it] 983it [22:27, 1.35s/it] 984it [22:28, 1.35s/it] 985it [22:29, 1.35s/it] 986it [22:31, 1.35s/it] 987it [22:32, 1.35s/it] 988it [22:34, 1.35s/it] 989it [22:35, 1.35s/it] 990it [22:36, 1.35s/it] 991it [22:38, 1.36s/it] 992it [22:39, 1.36s/it] 993it [22:40, 1.37s/it] 994it [22:42, 1.36s/it] 995it [22:43, 1.36s/it] 996it [22:44, 1.35s/it] 997it [22:46, 1.35s/it] 998it [22:47, 1.34s/it] 999it [22:48, 1.34s/it] 1000it [22:50, 1.33s/it] 1000it [22:50, 1.37s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:53.123527 +⏰ Completed process in 0:22:50.728490 diff --git a/chunked/d4-dock_075.csv.gz b/chunked/d4-dock_075.csv.gz index 9c0b68459e8d807f0367d1df2d530566a4819dca..a291bcf67b4ead70eaf872ea3ca3abf919eaed56 100644 --- a/chunked/d4-dock_075.csv.gz +++ b/chunked/d4-dock_075.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:564008896cbd33f1ecc7d3aa99c47f941c5dba8ed74ad8eb3a0e4a172a6768ba -size 34336906 +oid sha256:63e476b247266614aeb119c499ca7a4cd6eef3549631e4b8a1918e3e972e5126 +size 34336920 diff --git a/chunked/d4-dock_075.log b/chunked/d4-dock_075.log index 86f8d58621b2e971d44f2a63e68437380dc9b12b..592486af76d79dbdf8054535a081049c854ad542 100644 --- a/chunked/d4-dock_075.log +++ b/chunked/d4-dock_075.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.37s/it] 2it [00:02, 1.37s/it] 3it [00:04, 1.37s/it] 4it [00:05, 1.37s/it] 5it [00:06, 1.38s/it] 6it [00:08, 1.39s/it] 7it [00:09, 1.39s/it] 8it [00:11, 1.38s/it] 9it [00:12, 1.38s/it] 10it [00:13, 1.38s/it] 11it [00:15, 1.38s/it] 12it [00:16, 1.37s/it] 13it [00:17, 1.37s/it] 14it [00:19, 1.38s/it] 15it [00:20, 1.37s/it] 16it [00:21, 1.36s/it] 17it [00:23, 1.36s/it] 18it [00:24, 1.36s/it] 19it [00:26, 1.37s/it] 20it [00:27, 1.38s/it] 21it [00:28, 1.38s/it] 22it [00:30, 1.40s/it] 23it [00:31, 1.41s/it] 24it [00:33, 1.41s/it] 25it [00:34, 1.40s/it] 26it [00:35, 1.40s/it] 27it [00:37, 1.40s/it] 28it [00:38, 1.41s/it] 29it [00:40, 1.40s/it] 30it [00:41, 1.38s/it] 31it [00:42, 1.38s/it] 32it [00:44, 1.37s/it] 33it [00:45, 1.38s/it] 34it [00:47, 1.39s/it] 35it [00:48, 1.39s/it] 36it [00:49, 1.40s/it] 37it [00:51, 1.41s/it] 38it [00:52, 1.41s/it] 39it [00:54, 1.41s/it] 40it [00:55, 1.40s/it] 41it [00:56, 1.39s/it] 42it [00:58, 1.38s/it] 43it [00:59, 1.38s/it] 44it [01:00, 1.39s/it] 45it [01:02, 1.39s/it] 46it [01:03, 1.39s/it] 47it [01:05, 1.39s/it] 48it [01:06, 1.38s/it] 49it [01:07, 1.38s/it] 50it [01:09, 1.38s/it] 51it [01:10, 1.38s/it] 52it [01:12, 1.37s/it] 53it [01:13, 1.36s/it] 54it [01:14, 1.36s/it] 55it [01:16, 1.36s/it] 56it [01:17, 1.37s/it] 57it [01:18, 1.38s/it] 58it [01:20, 1.39s/it] 59it [01:21, 1.39s/it] 60it [01:23, 1.38s/it] 61it [01:24, 1.38s/it] 62it [01:25, 1.38s/it] 63it [01:27, 1.39s/it] 64it [01:28, 1.38s/it] 65it [01:29, 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[17:08, 1.29s/it] 772it [17:09, 1.28s/it] 773it [17:11, 1.29s/it] 774it [17:12, 1.31s/it] 775it [17:13, 1.30s/it] 776it [17:14, 1.29s/it] 777it [17:16, 1.28s/it] 778it [17:17, 1.29s/it] 779it [17:18, 1.29s/it] 780it [17:20, 1.29s/it] 781it [17:21, 1.31s/it] 782it [17:22, 1.29s/it] 783it [17:23, 1.30s/it] 784it [17:25, 1.29s/it] 785it [17:26, 1.30s/it] 786it [17:27, 1.31s/it] 787it [17:29, 1.30s/it] 788it [17:30, 1.30s/it] 789it [17:31, 1.31s/it] 790it [17:33, 1.28s/it] 791it [17:34, 1.29s/it] 792it [17:35, 1.28s/it] 793it [17:36, 1.28s/it] 794it [17:38, 1.28s/it] 795it [17:39, 1.28s/it] 796it [17:40, 1.28s/it] 797it [17:41, 1.27s/it] 798it [17:43, 1.29s/it] 799it [17:44, 1.27s/it] 800it [17:45, 1.28s/it] 801it [17:47, 1.27s/it] 802it [17:48, 1.29s/it] 803it [17:49, 1.29s/it] 804it [17:50, 1.28s/it] 805it [17:52, 1.28s/it] 806it [17:53, 1.29s/it] 807it [17:54, 1.30s/it] 808it [17:56, 1.30s/it] 809it [17:57, 1.29s/it] 810it [17:58, 1.28s/it] 811it [18:00, 1.29s/it] 812it [18:01, 1.30s/it] 813it [18:02, 1.31s/it] 814it [18:03, 1.30s/it] 815it [18:05, 1.30s/it] 816it [18:06, 1.29s/it] 817it [18:07, 1.30s/it] 818it [18:09, 1.31s/it] 819it [18:10, 1.30s/it] 820it [18:11, 1.30s/it] 821it [18:13, 1.30s/it] 822it [18:14, 1.30s/it] 823it [18:15, 1.31s/it] 824it [18:16, 1.31s/it] 825it [18:18, 1.31s/it] 826it [18:19, 1.31s/it] 827it [18:20, 1.32s/it] 828it [18:22, 1.32s/it] 829it [18:23, 1.31s/it] 830it [18:24, 1.31s/it] 831it [18:26, 1.31s/it] 832it [18:27, 1.30s/it] 833it [18:28, 1.29s/it] 834it [18:30, 1.30s/it] 835it [18:31, 1.32s/it] 836it [18:32, 1.31s/it] 837it [18:33, 1.30s/it] 838it [18:35, 1.30s/it] 839it [18:36, 1.31s/it] 840it [18:37, 1.30s/it] 841it [18:39, 1.30s/it] 842it [18:40, 1.28s/it] 843it [18:41, 1.30s/it] 844it [18:43, 1.30s/it] 845it [18:44, 1.29s/it] 846it [18:45, 1.28s/it] 847it [18:46, 1.30s/it] 848it [18:48, 1.30s/it] 849it [18:49, 1.28s/it] 850it [18:50, 1.27s/it] 851it [18:52, 1.29s/it] 852it [18:53, 1.28s/it] 853it [18:54, 1.28s/it] 854it [18:55, 1.29s/it] 855it [18:57, 1.29s/it] 856it [18:58, 1.27s/it] 857it [18:59, 1.27s/it] 858it [19:01, 1.29s/it] 859it [19:02, 1.28s/it] 860it [19:03, 1.27s/it] 861it [19:04, 1.27s/it] 862it [19:06, 1.27s/it] 863it [19:07, 1.27s/it] 864it [19:08, 1.28s/it] 865it [19:09, 1.29s/it] 866it [19:11, 1.27s/it] 867it [19:12, 1.27s/it] 868it [19:13, 1.29s/it] 869it [19:15, 1.28s/it] 870it [19:16, 1.28s/it] 871it [19:17, 1.28s/it] 872it [19:18, 1.28s/it] 873it [19:20, 1.28s/it] 874it [19:21, 1.28s/it] 875it [19:22, 1.28s/it] 876it [19:24, 1.29s/it] 877it [19:25, 1.31s/it] 878it [19:26, 1.28s/it] 879it [19:27, 1.26s/it] 880it [19:29, 1.29s/it] 881it [19:30, 1.29s/it] 882it [19:31, 1.27s/it] 883it [19:32, 1.27s/it] 884it [19:34, 1.28s/it] 885it [19:35, 1.28s/it] 886it [19:36, 1.29s/it] 887it [19:38, 1.30s/it] 888it [19:39, 1.29s/it] 889it [19:40, 1.28s/it] 890it [19:42, 1.29s/it] 891it [19:43, 1.30s/it] 892it [19:44, 1.29s/it] 893it [19:45, 1.28s/it] 894it [19:47, 1.29s/it] 895it [19:48, 1.29s/it] 896it [19:49, 1.29s/it] 897it [19:51, 1.30s/it] 898it [19:52, 1.30s/it] 899it [19:53, 1.28s/it] 900it [19:54, 1.29s/it] 901it [19:56, 1.31s/it] 902it [19:57, 1.30s/it] 903it [19:58, 1.29s/it] 904it [20:00, 1.28s/it] 905it [20:01, 1.29s/it] 906it [20:02, 1.28s/it] 907it [20:03, 1.28s/it] 908it [20:05, 1.28s/it] 909it [20:06, 1.28s/it] 910it [20:07, 1.27s/it] 911it [20:09, 1.28s/it] 912it [20:10, 1.30s/it] 913it [20:11, 1.29s/it] 914it [20:12, 1.28s/it] 915it [20:14, 1.30s/it] 916it [20:15, 1.32s/it] 917it [20:16, 1.30s/it] 918it [20:18, 1.28s/it] 919it [20:19, 1.28s/it] 920it [20:20, 1.28s/it] 921it [20:22, 1.29s/it] 922it [20:23, 1.30s/it] 923it [20:24, 1.30s/it] 924it [20:25, 1.28s/it] 925it [20:27, 1.29s/it] 926it [20:28, 1.31s/it] 927it [20:29, 1.29s/it] 928it [20:31, 1.28s/it] 929it [20:32, 1.28s/it] 930it [20:33, 1.28s/it] 931it [20:34, 1.27s/it] 932it [20:36, 1.29s/it] 933it [20:37, 1.29s/it] 934it [20:38, 1.29s/it] 935it [20:40, 1.30s/it] 936it [20:41, 1.29s/it] 937it [20:42, 1.28s/it] 938it [20:43, 1.30s/it] 939it [20:45, 1.30s/it] 940it [20:46, 1.28s/it] 941it [20:47, 1.29s/it] 942it [20:49, 1.30s/it] 943it [20:50, 1.30s/it] 944it [20:51, 1.28s/it] 945it [20:52, 1.27s/it] 946it [20:54, 1.27s/it] 947it [20:55, 1.27s/it] 948it [20:56, 1.29s/it] 949it [20:58, 1.28s/it] 950it [20:59, 1.27s/it] 951it [21:00, 1.29s/it] 952it [21:01, 1.30s/it] 953it [21:03, 1.30s/it] 954it [21:04, 1.28s/it] 955it [21:05, 1.29s/it] 956it [21:07, 1.31s/it] 957it [21:08, 1.31s/it] 958it [21:09, 1.30s/it] 959it [21:10, 1.29s/it] 960it [21:12, 1.29s/it] 961it [21:13, 1.28s/it] 962it [21:14, 1.27s/it] 963it [21:16, 1.26s/it] 964it [21:17, 1.26s/it] 965it [21:18, 1.26s/it] 966it [21:19, 1.26s/it] 967it [21:21, 1.25s/it] 968it [21:22, 1.25s/it] 969it [21:23, 1.25s/it] 970it [21:24, 1.25s/it] 971it [21:26, 1.25s/it] 972it [21:27, 1.25s/it] 973it [21:28, 1.25s/it] 974it [21:29, 1.25s/it] 975it [21:31, 1.25s/it] 976it [21:32, 1.25s/it] 977it [21:33, 1.25s/it] 978it [21:34, 1.25s/it] 979it [21:36, 1.24s/it] 980it [21:37, 1.24s/it] 981it [21:38, 1.24s/it] 982it [21:39, 1.24s/it] 983it [21:40, 1.24s/it] 984it [21:42, 1.24s/it] 985it [21:43, 1.25s/it] 986it [21:44, 1.25s/it] 987it [21:45, 1.25s/it] 988it [21:47, 1.25s/it] 989it [21:48, 1.25s/it] 990it [21:49, 1.25s/it] 991it [21:51, 1.27s/it] 992it [21:52, 1.29s/it] 993it [21:53, 1.27s/it] 994it [21:54, 1.26s/it] 995it [21:56, 1.25s/it] 996it [21:57, 1.25s/it] 997it [21:58, 1.24s/it] 998it [21:59, 1.24s/it] 999it [22:01, 1.24s/it] 1000it [22:02, 1.23s/it] 1000it [22:02, 1.32s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:27.614654 +⏰ Completed process in 0:22:02.731705 diff --git a/chunked/d4-dock_076.csv.gz b/chunked/d4-dock_076.csv.gz index 386a66b31d93b3ffacc8d9fddf0b67779da7309e..90b37b6dc2064e08282854add0dba09be98e951f 100644 --- a/chunked/d4-dock_076.csv.gz +++ b/chunked/d4-dock_076.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:f7a97e8d3842f8d163fb7964b2cd97b363b20f024e54e442f6a869845e17ef8d -size 32839063 +oid sha256:f2494760173418348a261c3ca8f1d501601d60342f88a398c9ab990118349e54 +size 32839079 diff --git a/chunked/d4-dock_076.log b/chunked/d4-dock_076.log index b5ca1095e4173541b7375e6067cbad3be8cb116c..82e87c319553fd5fca2610642e323af5d1f891eb 100644 --- a/chunked/d4-dock_076.log +++ b/chunked/d4-dock_076.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.26s/it] 2it [00:02, 1.24s/it] 3it [00:03, 1.24s/it] 4it [00:04, 1.24s/it] 5it [00:06, 1.24s/it] 6it [00:07, 1.25s/it] 7it [00:08, 1.26s/it] 8it [00:10, 1.26s/it] 9it [00:11, 1.26s/it] 10it [00:12, 1.26s/it] 11it [00:13, 1.26s/it] 12it [00:15, 1.26s/it] 13it [00:16, 1.26s/it] 14it [00:17, 1.25s/it] 15it [00:18, 1.25s/it] 16it [00:20, 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1.32s/it] 890it [19:40, 1.33s/it] 891it [19:41, 1.33s/it] 892it [19:43, 1.33s/it] 893it [19:44, 1.33s/it] 894it [19:45, 1.33s/it] 895it [19:47, 1.33s/it] 896it [19:48, 1.33s/it] 897it [19:49, 1.32s/it] 898it [19:51, 1.32s/it] 899it [19:52, 1.32s/it] 900it [19:53, 1.32s/it] 901it [19:55, 1.32s/it] 902it [19:56, 1.32s/it] 903it [19:57, 1.32s/it] 904it [19:59, 1.32s/it] 905it [20:00, 1.32s/it] 906it [20:01, 1.32s/it] 907it [20:03, 1.32s/it] 908it [20:04, 1.31s/it] 909it [20:05, 1.32s/it] 910it [20:06, 1.32s/it] 911it [20:08, 1.32s/it] 912it [20:09, 1.32s/it] 913it [20:10, 1.32s/it] 914it [20:12, 1.32s/it] 915it [20:13, 1.32s/it] 916it [20:14, 1.32s/it] 917it [20:16, 1.32s/it] 918it [20:17, 1.32s/it] 919it [20:18, 1.34s/it] 920it [20:20, 1.34s/it] 921it [20:21, 1.35s/it] 922it [20:23, 1.36s/it] 923it [20:24, 1.35s/it] 924it [20:25, 1.34s/it] 925it [20:26, 1.34s/it] 926it [20:28, 1.33s/it] 927it [20:29, 1.32s/it] 928it [20:30, 1.32s/it] 929it [20:32, 1.32s/it] 930it [20:33, 1.31s/it] 931it [20:34, 1.31s/it] 932it [20:36, 1.31s/it] 933it [20:37, 1.31s/it] 934it [20:38, 1.31s/it] 935it [20:40, 1.33s/it] 936it [20:41, 1.34s/it] 937it [20:42, 1.34s/it] 938it [20:44, 1.34s/it] 939it [20:45, 1.33s/it] 940it [20:46, 1.33s/it] 941it [20:48, 1.32s/it] 942it [20:49, 1.32s/it] 943it [20:50, 1.32s/it] 944it [20:52, 1.32s/it] 945it [20:53, 1.32s/it] 946it [20:54, 1.32s/it] 947it [20:56, 1.32s/it] 948it [20:57, 1.33s/it] 949it [20:58, 1.33s/it] 950it [21:00, 1.32s/it] 951it [21:01, 1.33s/it] 952it [21:02, 1.32s/it] 953it [21:04, 1.33s/it] 954it [21:05, 1.33s/it] 955it [21:06, 1.33s/it] 956it [21:08, 1.33s/it] 957it [21:09, 1.33s/it] 958it [21:10, 1.33s/it] 959it [21:11, 1.33s/it] 960it [21:13, 1.32s/it] 961it [21:14, 1.32s/it] 962it [21:15, 1.32s/it] 963it [21:17, 1.31s/it] 964it [21:18, 1.31s/it] 965it [21:19, 1.30s/it] 966it [21:21, 1.30s/it] 967it [21:22, 1.30s/it] 968it [21:23, 1.30s/it] 969it [21:25, 1.30s/it] 970it [21:26, 1.30s/it] 971it [21:27, 1.30s/it] 972it [21:28, 1.30s/it] 973it [21:30, 1.29s/it] 974it [21:31, 1.29s/it] 975it [21:32, 1.30s/it] 976it [21:34, 1.30s/it] 977it [21:35, 1.31s/it] 978it [21:36, 1.31s/it] 979it [21:38, 1.31s/it] 980it [21:39, 1.30s/it] 981it [21:40, 1.30s/it] 982it [21:41, 1.30s/it] 983it [21:43, 1.31s/it] 984it [21:44, 1.29s/it] 985it [21:45, 1.29s/it] 986it [21:47, 1.30s/it] 987it [21:48, 1.31s/it] 988it [21:49, 1.33s/it] 989it [21:51, 1.33s/it] 990it [21:52, 1.32s/it] 991it [21:53, 1.32s/it] 992it [21:55, 1.31s/it] 993it [21:56, 1.31s/it] 994it [21:57, 1.31s/it] 995it [21:58, 1.30s/it] 996it [22:00, 1.30s/it] 997it [22:01, 1.31s/it] 998it [22:02, 1.32s/it] 999it [22:04, 1.32s/it] 1000it [22:05, 1.30s/it] 1000it [22:05, 1.33s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:19.743165 +⏰ Completed process in 0:22:06.005756 diff --git a/chunked/d4-dock_077.csv.gz b/chunked/d4-dock_077.csv.gz index 26387d281651ba6fe39dc2a660d350d6f39c90cc..27294b816dc3358a7c5f292994bf46b237e633b1 100644 --- a/chunked/d4-dock_077.csv.gz +++ b/chunked/d4-dock_077.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:2c3caa612ba579f027d40d195e5d07804bf34eb09d7af2f50c0a0ae96b3beec1 -size 34319749 +oid sha256:b9a02089fee0dd70b80aa5e0291c3c26d372883eefe0bcd79568e3af55143869 +size 34319734 diff --git a/chunked/d4-dock_077.log b/chunked/d4-dock_077.log index 93c04081021f4fdc40bb57ac8975cbb2791fc0ef..3f9c8722baf229769721a2642b6e0f203d1cddb9 100644 --- a/chunked/d4-dock_077.log +++ b/chunked/d4-dock_077.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.32s/it] 2it [00:02, 1.31s/it] 3it [00:03, 1.31s/it] 4it [00:05, 1.30s/it] 5it [00:06, 1.31s/it] 6it [00:07, 1.32s/it] 7it [00:09, 1.34s/it] 8it [00:10, 1.35s/it] 9it [00:11, 1.35s/it] 10it [00:13, 1.34s/it] 11it [00:14, 1.33s/it] 12it [00:15, 1.32s/it] 13it [00:17, 1.32s/it] 14it [00:18, 1.32s/it] 15it [00:19, 1.31s/it] 16it [00:21, 1.31s/it] 17it [00:22, 1.31s/it] 18it [00:23, 1.32s/it] 19it [00:25, 1.32s/it] 20it [00:26, 1.32s/it] 21it [00:27, 1.32s/it] 22it [00:29, 1.31s/it] 23it [00:30, 1.31s/it] 24it [00:31, 1.32s/it] 25it [00:32, 1.31s/it] 26it [00:34, 1.31s/it] 27it [00:35, 1.30s/it] 28it [00:36, 1.31s/it] 29it [00:38, 1.31s/it] 30it [00:39, 1.30s/it] 31it [00:40, 1.30s/it] 32it [00:42, 1.30s/it] 33it [00:43, 1.30s/it] 34it [00:44, 1.31s/it] 35it [00:46, 1.32s/it] 36it [00:47, 1.32s/it] 37it [00:48, 1.33s/it] 38it [00:50, 1.33s/it] 39it [00:51, 1.34s/it] 40it [00:52, 1.33s/it] 41it [00:54, 1.32s/it] 42it [00:55, 1.32s/it] 43it [00:56, 1.32s/it] 44it [00:57, 1.32s/it] 45it [00:59, 1.32s/it] 46it [01:00, 1.31s/it] 47it [01:01, 1.32s/it] 48it [01:03, 1.32s/it] 49it [01:04, 1.32s/it] 50it [01:05, 1.31s/it] 51it [01:07, 1.31s/it] 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1.35s/it] 717it [16:05, 1.35s/it] 718it [16:06, 1.35s/it] 719it [16:07, 1.35s/it] 720it [16:09, 1.35s/it] 721it [16:10, 1.35s/it] 722it [16:11, 1.35s/it] 723it [16:13, 1.35s/it] 724it [16:14, 1.35s/it] 725it [16:15, 1.35s/it] 726it [16:17, 1.35s/it] 727it [16:18, 1.35s/it] 728it [16:20, 1.35s/it] 729it [16:21, 1.35s/it] 730it [16:22, 1.35s/it] 731it [16:24, 1.35s/it] 732it [16:25, 1.35s/it] 733it [16:26, 1.35s/it] 734it [16:28, 1.35s/it] 735it [16:29, 1.35s/it] 736it [16:30, 1.35s/it] 737it [16:32, 1.35s/it] 738it [16:33, 1.35s/it] 739it [16:34, 1.35s/it] 740it [16:36, 1.35s/it] 741it [16:37, 1.35s/it] 742it [16:38, 1.35s/it] 743it [16:40, 1.35s/it] 744it [16:41, 1.35s/it] 745it [16:42, 1.35s/it] 746it [16:44, 1.35s/it] 747it [16:45, 1.35s/it] 748it [16:47, 1.35s/it] 749it [16:48, 1.35s/it] 750it [16:49, 1.35s/it] 751it [16:51, 1.35s/it] 752it [16:52, 1.35s/it] 753it [16:53, 1.35s/it] 754it [16:55, 1.35s/it] 755it [16:56, 1.35s/it] 756it [16:57, 1.35s/it] 757it [16:59, 1.35s/it] 758it [17:00, 1.35s/it] 759it [17:01, 1.35s/it] 760it [17:03, 1.35s/it] 761it [17:04, 1.35s/it] 762it [17:05, 1.35s/it] 763it [17:07, 1.35s/it] 764it [17:08, 1.35s/it] 765it [17:09, 1.35s/it] 766it [17:11, 1.35s/it] 767it [17:12, 1.35s/it] 768it [17:14, 1.35s/it] 769it [17:15, 1.35s/it] 770it [17:16, 1.35s/it] 771it [17:18, 1.35s/it] 772it [17:19, 1.35s/it] 773it [17:20, 1.35s/it] 774it [17:22, 1.35s/it] 775it [17:23, 1.35s/it] 776it [17:24, 1.35s/it] 777it [17:26, 1.35s/it] 778it [17:27, 1.35s/it] 779it [17:28, 1.35s/it] 780it [17:30, 1.35s/it] 781it [17:31, 1.35s/it] 782it [17:32, 1.35s/it] 783it [17:34, 1.35s/it] 784it [17:35, 1.35s/it] 785it [17:36, 1.35s/it] 786it [17:38, 1.35s/it] 787it [17:39, 1.35s/it] 788it [17:40, 1.35s/it] 789it [17:42, 1.35s/it] 790it [17:43, 1.35s/it] 791it [17:45, 1.35s/it] 792it [17:46, 1.35s/it] 793it [17:47, 1.35s/it] 794it [17:49, 1.35s/it] 795it [17:50, 1.35s/it] 796it [17:51, 1.35s/it] 797it [17:53, 1.35s/it] 798it [17:54, 1.35s/it] 799it [17:55, 1.35s/it] 800it [17:57, 1.34s/it] 801it [17:58, 1.35s/it] 802it [17:59, 1.35s/it] 803it [18:01, 1.35s/it] 804it [18:02, 1.35s/it] 805it [18:03, 1.35s/it] 806it [18:05, 1.35s/it] 807it [18:06, 1.35s/it] 808it [18:07, 1.35s/it] 809it [18:09, 1.35s/it] 810it [18:10, 1.35s/it] 811it [18:12, 1.35s/it] 812it [18:13, 1.35s/it] 813it [18:14, 1.35s/it] 814it [18:16, 1.35s/it] 815it [18:17, 1.35s/it] 816it [18:18, 1.35s/it] 817it [18:20, 1.35s/it] 818it [18:21, 1.35s/it] 819it [18:22, 1.35s/it] 820it [18:24, 1.35s/it] 821it [18:25, 1.35s/it] 822it [18:26, 1.35s/it] 823it [18:28, 1.35s/it] 824it [18:29, 1.35s/it] 825it [18:30, 1.35s/it] 826it [18:32, 1.35s/it] 827it [18:33, 1.37s/it] 828it [18:35, 1.37s/it] 829it [18:36, 1.36s/it] 830it [18:37, 1.36s/it] 831it [18:39, 1.35s/it] 832it [18:40, 1.35s/it] 833it [18:41, 1.35s/it] 834it [18:43, 1.35s/it] 835it [18:44, 1.35s/it] 836it [18:45, 1.36s/it] 837it [18:47, 1.36s/it] 838it [18:48, 1.35s/it] 839it [18:49, 1.36s/it] 840it [18:51, 1.35s/it] 841it [18:52, 1.35s/it] 842it [18:53, 1.35s/it] 843it [18:55, 1.35s/it] 844it [18:56, 1.35s/it] 845it [18:58, 1.35s/it] 846it [18:59, 1.35s/it] 847it [19:00, 1.36s/it] 848it [19:02, 1.35s/it] 849it [19:03, 1.35s/it] 850it [19:04, 1.35s/it] 851it [19:06, 1.35s/it] 852it [19:07, 1.35s/it] 853it [19:08, 1.35s/it] 854it [19:10, 1.35s/it] 855it [19:11, 1.35s/it] 856it [19:12, 1.35s/it] 857it [19:14, 1.35s/it] 858it [19:15, 1.35s/it] 859it [19:16, 1.35s/it] 860it [19:18, 1.35s/it] 861it [19:19, 1.35s/it] 862it [19:20, 1.35s/it] 863it [19:22, 1.35s/it] 864it [19:23, 1.35s/it] 865it [19:25, 1.35s/it] 866it [19:26, 1.35s/it] 867it [19:27, 1.35s/it] 868it [19:29, 1.35s/it] 869it [19:30, 1.35s/it] 870it [19:31, 1.35s/it] 871it [19:33, 1.35s/it] 872it [19:34, 1.35s/it] 873it [19:35, 1.35s/it] 874it [19:37, 1.35s/it] 875it [19:38, 1.35s/it] 876it [19:39, 1.35s/it] 877it [19:41, 1.35s/it] 878it [19:42, 1.35s/it] 879it [19:43, 1.35s/it] 880it [19:45, 1.35s/it] 881it [19:46, 1.35s/it] 882it [19:47, 1.35s/it] 883it [19:49, 1.35s/it] 884it [19:50, 1.35s/it] 885it [19:52, 1.35s/it] 886it [19:53, 1.35s/it] 887it [19:54, 1.35s/it] 888it [19:56, 1.35s/it] 889it [19:57, 1.35s/it] 890it [19:58, 1.35s/it] 891it [20:00, 1.35s/it] 892it [20:01, 1.35s/it] 893it [20:02, 1.35s/it] 894it [20:04, 1.35s/it] 895it [20:05, 1.35s/it] 896it [20:06, 1.35s/it] 897it [20:08, 1.35s/it] 898it [20:09, 1.35s/it] 899it [20:10, 1.35s/it] 900it [20:12, 1.34s/it] 901it [20:13, 1.35s/it] 902it [20:14, 1.35s/it] 903it [20:16, 1.35s/it] 904it [20:17, 1.35s/it] 905it [20:19, 1.35s/it] 906it [20:20, 1.35s/it] 907it [20:21, 1.35s/it] 908it [20:23, 1.35s/it] 909it [20:24, 1.35s/it] 910it [20:25, 1.35s/it] 911it [20:27, 1.36s/it] 912it [20:28, 1.35s/it] 913it [20:29, 1.35s/it] 914it [20:31, 1.35s/it] 915it [20:32, 1.35s/it] 916it [20:33, 1.36s/it] 917it [20:35, 1.35s/it] 918it [20:36, 1.35s/it] 919it [20:37, 1.35s/it] 920it [20:39, 1.35s/it] 921it [20:40, 1.35s/it] 922it [20:42, 1.35s/it] 923it [20:43, 1.35s/it] 924it [20:44, 1.35s/it] 925it [20:46, 1.35s/it] 926it [20:47, 1.35s/it] 927it [20:48, 1.35s/it] 928it [20:50, 1.35s/it] 929it [20:51, 1.35s/it] 930it [20:52, 1.35s/it] 931it [20:54, 1.35s/it] 932it [20:55, 1.35s/it] 933it [20:56, 1.35s/it] 934it [20:58, 1.34s/it] 935it [20:59, 1.35s/it] 936it [21:00, 1.35s/it] 937it [21:02, 1.35s/it] 938it [21:03, 1.35s/it] 939it [21:04, 1.35s/it] 940it [21:06, 1.35s/it] 941it [21:07, 1.35s/it] 942it [21:08, 1.35s/it] 943it [21:10, 1.35s/it] 944it [21:11, 1.35s/it] 945it [21:13, 1.35s/it] 946it [21:14, 1.35s/it] 947it [21:15, 1.35s/it] 948it [21:17, 1.35s/it] 949it [21:18, 1.35s/it] 950it [21:19, 1.35s/it] 951it [21:21, 1.35s/it] 952it [21:22, 1.35s/it] 953it [21:23, 1.35s/it] 954it [21:25, 1.35s/it] 955it [21:26, 1.35s/it] 956it [21:27, 1.35s/it] 957it [21:29, 1.35s/it] 958it [21:30, 1.35s/it] 959it [21:31, 1.34s/it] 960it [21:33, 1.34s/it] 961it [21:34, 1.35s/it] 962it [21:35, 1.35s/it] 963it [21:37, 1.35s/it] 964it [21:38, 1.35s/it] 965it [21:40, 1.35s/it] 966it [21:41, 1.35s/it] 967it [21:42, 1.35s/it] 968it [21:44, 1.35s/it] 969it [21:45, 1.35s/it] 970it [21:46, 1.35s/it] 971it [21:48, 1.35s/it] 972it [21:49, 1.35s/it] 973it [21:50, 1.36s/it] 974it [21:52, 1.36s/it] 975it [21:53, 1.36s/it] 976it [21:54, 1.35s/it] 977it [21:56, 1.35s/it] 978it [21:57, 1.35s/it] 979it [21:58, 1.35s/it] 980it [22:00, 1.35s/it] 981it [22:01, 1.36s/it] 982it [22:03, 1.35s/it] 983it [22:04, 1.35s/it] 984it [22:05, 1.35s/it] 985it [22:07, 1.35s/it] 986it [22:08, 1.35s/it] 987it [22:09, 1.35s/it] 988it [22:11, 1.35s/it] 989it [22:12, 1.35s/it] 990it [22:13, 1.35s/it] 991it [22:15, 1.35s/it] 992it [22:16, 1.35s/it] 993it [22:17, 1.34s/it] 994it [22:19, 1.35s/it] 995it [22:20, 1.35s/it] 996it [22:21, 1.36s/it] 997it [22:23, 1.37s/it] 998it [22:24, 1.37s/it] 999it [22:26, 1.37s/it] 1000it [22:27, 1.38s/it] 1000it [22:27, 1.35s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:07.156759 +⏰ Completed process in 0:22:28.014819 diff --git a/chunked/d4-dock_078.csv.gz b/chunked/d4-dock_078.csv.gz index 7c81c3d33a3b7e0a4f39ca5b1a7a1db92e5e45d4..7e96a0b75685657fc7b646e5714d2ae68b0d5318 100644 --- a/chunked/d4-dock_078.csv.gz +++ b/chunked/d4-dock_078.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:d657a00d3cb39e1f2311a1cf91ea8e9a233d3be6aef636fdd33d928aef000879 -size 34416845 +oid sha256:f70236b0d7f62e9a21cbdf41bd04d41a89c0bbf472f7f410d0690c163d515ea8 +size 34416849 diff --git a/chunked/d4-dock_078.log b/chunked/d4-dock_078.log index c66f15f519facc8518ec9ab8bfb5541e753b2c59..5e77807e4a35691e380d6491eac7cfa419cda944 100644 --- a/chunked/d4-dock_078.log +++ b/chunked/d4-dock_078.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.39s/it] 2it [00:02, 1.38s/it] 3it [00:04, 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1.38s/it] 920it [20:41, 1.39s/it] 921it [20:42, 1.39s/it] 922it [20:43, 1.38s/it] 923it [20:45, 1.37s/it] 924it [20:46, 1.36s/it] 925it [20:47, 1.35s/it] 926it [20:49, 1.35s/it] 927it [20:50, 1.34s/it] 928it [20:51, 1.34s/it] 929it [20:53, 1.35s/it] 930it [20:54, 1.35s/it] 931it [20:55, 1.36s/it] 932it [20:57, 1.36s/it] 933it [20:58, 1.37s/it] 934it [21:00, 1.38s/it] 935it [21:01, 1.38s/it] 936it [21:02, 1.38s/it] 937it [21:04, 1.37s/it] 938it [21:05, 1.37s/it] 939it [21:06, 1.37s/it] 940it [21:08, 1.37s/it] 941it [21:09, 1.38s/it] 942it [21:11, 1.38s/it] 943it [21:12, 1.38s/it] 944it [21:13, 1.37s/it] 945it [21:15, 1.36s/it] 946it [21:16, 1.35s/it] 947it [21:17, 1.35s/it] 948it [21:19, 1.35s/it] 949it [21:20, 1.35s/it] 950it [21:21, 1.35s/it] 951it [21:23, 1.36s/it] 952it [21:24, 1.35s/it] 953it [21:25, 1.36s/it] 954it [21:27, 1.37s/it] 955it [21:28, 1.37s/it] 956it [21:30, 1.38s/it] 957it [21:31, 1.38s/it] 958it [21:32, 1.39s/it] 959it [21:34, 1.38s/it] 960it [21:35, 1.37s/it] 961it [21:36, 1.37s/it] 962it [21:38, 1.36s/it] 963it [21:39, 1.35s/it] 964it [21:41, 1.36s/it] 965it [21:42, 1.36s/it] 966it [21:43, 1.36s/it] 967it [21:45, 1.37s/it] 968it [21:46, 1.37s/it] 969it [21:47, 1.38s/it] 970it [21:49, 1.38s/it] 971it [21:50, 1.38s/it] 972it [21:52, 1.37s/it] 973it [21:53, 1.37s/it] 974it [21:54, 1.37s/it] 975it [21:56, 1.38s/it] 976it [21:57, 1.37s/it] 977it [21:58, 1.38s/it] 978it [22:00, 1.36s/it] 979it [22:01, 1.36s/it] 980it [22:02, 1.35s/it] 981it [22:04, 1.35s/it] 982it [22:05, 1.35s/it] 983it [22:06, 1.36s/it] 984it [22:08, 1.36s/it] 985it [22:09, 1.36s/it] 986it [22:11, 1.35s/it] 987it [22:12, 1.34s/it] 988it [22:13, 1.33s/it] 989it [22:14, 1.33s/it] 990it [22:16, 1.33s/it] 991it [22:17, 1.34s/it] 992it [22:19, 1.35s/it] 993it [22:20, 1.35s/it] 994it [22:21, 1.33s/it] 995it [22:23, 1.33s/it] 996it [22:24, 1.33s/it] 997it [22:25, 1.34s/it] 998it [22:27, 1.34s/it] 999it [22:28, 1.34s/it] 1000it [22:29, 1.34s/it] 1000it [22:29, 1.35s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:23:06.992022 +⏰ Completed process in 0:22:30.303354 diff --git a/chunked/d4-dock_079.csv.gz b/chunked/d4-dock_079.csv.gz index 83b9dd1248af47fd79a2e61e4a7d3b35cdf3657c..e2013b0863d6b6e47daf03719364e4c2b689b4d7 100644 --- a/chunked/d4-dock_079.csv.gz +++ b/chunked/d4-dock_079.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:5ea8328ec93812d6abc7a13eb67fd07e30809bc56086a40a98a9cfb07773f527 -size 36349798 +oid sha256:b2bade9314693b6bf9222f5353f56268ee2e656209fbd7a8d443c629bed0e932 +size 36349818 diff --git a/chunked/d4-dock_079.log b/chunked/d4-dock_079.log index c0096896d041c2c51f22e0df93b6216a460412e0..fa51a4ef893e07704a5fa54c0dfe46dde8639408 100644 --- a/chunked/d4-dock_079.log +++ b/chunked/d4-dock_079.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.45s/it] 2it [00:02, 1.41s/it] 3it [00:04, 1.40s/it] 4it [00:05, 1.41s/it] 5it [00:07, 1.41s/it] 6it [00:08, 1.42s/it] 7it [00:09, 1.41s/it] 8it [00:11, 1.41s/it] 9it [00:12, 1.41s/it] 10it [00:14, 1.40s/it] 11it [00:15, 1.40s/it] 12it [00:16, 1.40s/it] 13it [00:18, 1.39s/it] 14it [00:19, 1.40s/it] 15it [00:21, 1.41s/it] 16it [00:22, 1.41s/it] 17it [00:23, 1.41s/it] 18it [00:25, 1.41s/it] 19it [00:26, 1.41s/it] 20it [00:28, 1.41s/it] 21it [00:29, 1.41s/it] 22it [00:30, 1.41s/it] 23it [00:32, 1.41s/it] 24it [00:33, 1.42s/it] 25it [00:35, 1.42s/it] 26it [00:36, 1.42s/it] 27it [00:38, 1.41s/it] 28it [00:39, 1.40s/it] 29it [00:40, 1.39s/it] 30it [00:42, 1.39s/it] 31it [00:43, 1.39s/it] 32it [00:44, 1.39s/it] 33it [00:46, 1.38s/it] 34it [00:47, 1.39s/it] 35it [00:49, 1.40s/it] 36it [00:50, 1.39s/it] 37it [00:51, 1.39s/it] 38it [00:53, 1.40s/it] 39it [00:54, 1.39s/it] 40it [00:56, 1.40s/it] 41it [00:57, 1.42s/it] 42it [00:59, 1.43s/it] 43it [01:00, 1.43s/it] 44it [01:01, 1.42s/it] 45it [01:03, 1.42s/it] 46it [01:04, 1.41s/it] 47it [01:06, 1.40s/it] 48it [01:07, 1.39s/it] 49it [01:08, 1.39s/it] 50it [01:10, 1.38s/it] 51it [01:11, 1.38s/it] 52it [01:12, 1.39s/it] 53it [01:14, 1.39s/it] 54it [01:15, 1.40s/it] 55it [01:17, 1.40s/it] 56it [01:18, 1.41s/it] 57it [01:20, 1.41s/it] 58it [01:21, 1.41s/it] 59it [01:22, 1.41s/it] 60it [01:24, 1.42s/it] 61it [01:25, 1.43s/it] 62it [01:27, 1.44s/it] 63it [01:28, 1.45s/it] 64it [01:30, 1.43s/it] 65it [01:31, 1.42s/it] 66it [01:32, 1.41s/it] 67it [01:34, 1.40s/it] 68it [01:35, 1.40s/it] 69it [01:37, 1.40s/it] 70it [01:38, 1.39s/it] 71it [01:39, 1.40s/it] 72it [01:41, 1.40s/it] 73it [01:42, 1.40s/it] 74it [01:44, 1.40s/it] 75it [01:45, 1.41s/it] 76it [01:46, 1.41s/it] 77it [01:48, 1.41s/it] 78it [01:49, 1.42s/it] 79it [01:51, 1.43s/it] 80it [01:52, 1.43s/it] 81it [01:54, 1.42s/it] 82it [01:55, 1.41s/it] 83it [01:56, 1.40s/it] 84it [01:58, 1.40s/it] 85it [01:59, 1.39s/it] 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[17:02, 1.36s/it] 750it [17:04, 1.37s/it] 751it [17:05, 1.37s/it] 752it [17:07, 1.37s/it] 753it [17:08, 1.37s/it] 754it [17:09, 1.37s/it] 755it [17:11, 1.38s/it] 756it [17:12, 1.36s/it] 757it [17:13, 1.37s/it] 758it [17:15, 1.36s/it] 759it [17:16, 1.35s/it] 760it [17:17, 1.36s/it] 761it [17:19, 1.37s/it] 762it [17:20, 1.37s/it] 763it [17:22, 1.36s/it] 764it [17:23, 1.35s/it] 765it [17:24, 1.35s/it] 766it [17:26, 1.34s/it] 767it [17:27, 1.34s/it] 768it [17:28, 1.34s/it] 769it [17:30, 1.34s/it] 770it [17:31, 1.34s/it] 771it [17:32, 1.34s/it] 772it [17:34, 1.34s/it] 773it [17:35, 1.35s/it] 774it [17:36, 1.36s/it] 775it [17:38, 1.36s/it] 776it [17:39, 1.37s/it] 777it [17:41, 1.38s/it] 778it [17:42, 1.39s/it] 779it [17:43, 1.39s/it] 780it [17:45, 1.40s/it] 781it [17:46, 1.39s/it] 782it [17:47, 1.38s/it] 783it [17:49, 1.37s/it] 784it [17:50, 1.37s/it] 785it [17:52, 1.37s/it] 786it [17:53, 1.36s/it] 787it [17:54, 1.36s/it] 788it [17:56, 1.36s/it] 789it [17:57, 1.36s/it] 790it [17:58, 1.37s/it] 791it [18:00, 1.37s/it] 792it [18:01, 1.37s/it] 793it [18:02, 1.37s/it] 794it [18:04, 1.37s/it] 795it [18:05, 1.36s/it] 796it [18:07, 1.37s/it] 797it [18:08, 1.36s/it] 798it [18:09, 1.36s/it] 799it [18:11, 1.36s/it] 800it [18:12, 1.36s/it] 801it [18:13, 1.36s/it] 802it [18:15, 1.35s/it] 803it [18:16, 1.35s/it] 804it [18:17, 1.36s/it] 805it [18:19, 1.36s/it] 806it [18:20, 1.36s/it] 807it [18:22, 1.36s/it] 808it [18:23, 1.36s/it] 809it [18:24, 1.36s/it] 810it [18:26, 1.36s/it] 811it [18:27, 1.36s/it] 812it [18:28, 1.36s/it] 813it [18:30, 1.35s/it] 814it [18:31, 1.35s/it] 815it [18:32, 1.36s/it] 816it [18:34, 1.36s/it] 817it [18:35, 1.36s/it] 818it [18:36, 1.36s/it] 819it [18:38, 1.37s/it] 820it [18:39, 1.37s/it] 821it [18:41, 1.37s/it] 822it [18:42, 1.36s/it] 823it [18:43, 1.35s/it] 824it [18:45, 1.35s/it] 825it [18:46, 1.35s/it] 826it [18:47, 1.35s/it] 827it [18:49, 1.37s/it] 828it [18:50, 1.36s/it] 829it [18:51, 1.37s/it] 830it [18:53, 1.37s/it] 831it [18:54, 1.37s/it] 832it [18:55, 1.34s/it] 833it [18:57, 1.35s/it] 834it [18:58, 1.35s/it] 835it [19:00, 1.35s/it] 836it [19:01, 1.35s/it] 837it [19:02, 1.35s/it] 838it [19:04, 1.36s/it] 839it [19:05, 1.36s/it] 840it [19:06, 1.37s/it] 841it [19:08, 1.37s/it] 842it [19:09, 1.36s/it] 843it [19:10, 1.36s/it] 844it [19:12, 1.37s/it] 845it [19:13, 1.37s/it] 846it [19:15, 1.37s/it] 847it [19:16, 1.37s/it] 848it [19:17, 1.37s/it] 849it [19:19, 1.37s/it] 850it [19:20, 1.36s/it] 851it [19:21, 1.36s/it] 852it [19:23, 1.35s/it] 853it [19:24, 1.37s/it] 854it [19:26, 1.37s/it] 855it [19:27, 1.36s/it] 856it [19:28, 1.36s/it] 857it [19:30, 1.36s/it] 858it [19:31, 1.36s/it] 859it [19:32, 1.36s/it] 860it [19:34, 1.37s/it] 861it [19:35, 1.37s/it] 862it [19:36, 1.37s/it] 863it [19:38, 1.36s/it] 864it [19:39, 1.36s/it] 865it [19:40, 1.36s/it] 866it [19:42, 1.36s/it] 867it [19:43, 1.36s/it] 868it [19:45, 1.36s/it] 869it [19:46, 1.36s/it] 870it [19:47, 1.33s/it] 871it [19:49, 1.34s/it] 872it [19:50, 1.35s/it] 873it [19:51, 1.35s/it] 874it [19:53, 1.36s/it] 875it [19:54, 1.36s/it] 876it [19:55, 1.36s/it] 877it [19:57, 1.35s/it] 878it [19:58, 1.35s/it] 879it [19:59, 1.36s/it] 880it [20:01, 1.34s/it] 881it [20:02, 1.35s/it] 882it [20:03, 1.35s/it] 883it [20:05, 1.34s/it] 884it [20:06, 1.35s/it] 885it [20:07, 1.35s/it] 886it [20:09, 1.36s/it] 887it [20:10, 1.35s/it] 888it [20:12, 1.35s/it] 889it [20:13, 1.34s/it] 890it [20:14, 1.35s/it] 891it [20:16, 1.35s/it] 892it [20:17, 1.35s/it] 893it [20:18, 1.35s/it] 894it [20:20, 1.34s/it] 895it [20:21, 1.35s/it] 896it [20:22, 1.35s/it] 897it [20:24, 1.35s/it] 898it [20:25, 1.35s/it] 899it [20:26, 1.36s/it] 900it [20:28, 1.37s/it] 901it [20:29, 1.37s/it] 902it [20:31, 1.37s/it] 903it [20:32, 1.36s/it] 904it [20:33, 1.36s/it] 905it [20:35, 1.36s/it] 906it [20:36, 1.36s/it] 907it [20:37, 1.36s/it] 908it [20:39, 1.37s/it] 909it [20:40, 1.37s/it] 910it [20:41, 1.37s/it] 911it [20:43, 1.36s/it] 912it [20:44, 1.36s/it] 913it [20:45, 1.36s/it] 914it [20:47, 1.36s/it] 915it [20:48, 1.36s/it] 916it [20:50, 1.36s/it] 917it [20:51, 1.36s/it] 918it [20:52, 1.36s/it] 919it [20:54, 1.36s/it] 920it [20:55, 1.36s/it] 921it [20:56, 1.35s/it] 922it [20:58, 1.35s/it] 923it [20:59, 1.35s/it] 924it [21:00, 1.35s/it] 925it [21:02, 1.36s/it] 926it [21:03, 1.36s/it] 927it [21:04, 1.35s/it] 928it [21:06, 1.35s/it] 929it [21:07, 1.34s/it] 930it [21:08, 1.35s/it] 931it [21:10, 1.34s/it] 932it [21:11, 1.35s/it] 933it [21:13, 1.35s/it] 934it [21:14, 1.35s/it] 935it [21:15, 1.35s/it] 936it [21:17, 1.35s/it] 937it [21:18, 1.35s/it] 938it [21:19, 1.36s/it] 939it [21:21, 1.36s/it] 940it [21:22, 1.36s/it] 941it [21:23, 1.35s/it] 942it [21:25, 1.36s/it] 943it [21:26, 1.36s/it] 944it [21:27, 1.36s/it] 945it [21:29, 1.35s/it] 946it [21:30, 1.33s/it] 947it [21:31, 1.34s/it] 948it [21:33, 1.35s/it] 949it [21:34, 1.34s/it] 950it [21:35, 1.34s/it] 951it [21:37, 1.33s/it] 952it [21:38, 1.33s/it] 953it [21:39, 1.34s/it] 954it [21:41, 1.35s/it] 955it [21:42, 1.35s/it] 956it [21:44, 1.36s/it] 957it [21:45, 1.36s/it] 958it [21:46, 1.34s/it] 959it [21:48, 1.34s/it] 960it [21:49, 1.36s/it] 961it [21:50, 1.37s/it] 962it [21:52, 1.36s/it] 963it [21:53, 1.35s/it] 964it [21:54, 1.33s/it] 965it [21:56, 1.33s/it] 966it [21:57, 1.33s/it] 967it [21:58, 1.33s/it] 968it [22:00, 1.34s/it] 969it [22:01, 1.35s/it] 970it [22:02, 1.34s/it] 971it [22:04, 1.33s/it] 972it [22:05, 1.33s/it] 973it [22:06, 1.33s/it] 974it [22:08, 1.33s/it] 975it [22:09, 1.33s/it] 976it [22:10, 1.32s/it] 977it [22:12, 1.31s/it] 978it [22:13, 1.30s/it] 979it [22:14, 1.30s/it] 980it [22:15, 1.31s/it] 981it [22:17, 1.32s/it] 982it [22:18, 1.33s/it] 983it [22:19, 1.33s/it] 984it [22:21, 1.33s/it] 985it [22:22, 1.34s/it] 986it [22:24, 1.35s/it] 987it [22:25, 1.35s/it] 988it [22:26, 1.35s/it] 989it [22:28, 1.35s/it] 990it [22:29, 1.35s/it] 991it [22:30, 1.33s/it] 992it [22:31, 1.32s/it] 993it [22:33, 1.32s/it] 994it [22:34, 1.32s/it] 995it [22:36, 1.33s/it] 996it [22:37, 1.33s/it] 997it [22:38, 1.32s/it] 998it [22:39, 1.33s/it] 999it [22:41, 1.31s/it] 1000it [22:42, 1.30s/it] 1000it [22:42, 1.36s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:23:19.057149 +⏰ Completed process in 0:22:43.053027 diff --git a/chunked/d4-dock_080.csv.gz b/chunked/d4-dock_080.csv.gz index 32038a0d7602680053685eb8e044e7b3e1a761b8..56c766bed39675838936f5d11c3ad86ad58e00a1 100644 --- a/chunked/d4-dock_080.csv.gz +++ b/chunked/d4-dock_080.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:a2ecf6857e10898d1cbf24530fa784a6b55575d5d17a3892d6fbd576ab36ff27 -size 32677224 +oid sha256:fdd056e7787eb3ae92ec4bad4cb6a2245c0be454fadb9d43402caaf584577072 +size 32677205 diff --git a/chunked/d4-dock_080.log b/chunked/d4-dock_080.log index c263c8524278d426cbc7b59261708f465140f8d3..d94984547fbd35a0ccbc185d21a50ce53e0299c8 100644 --- a/chunked/d4-dock_080.log +++ b/chunked/d4-dock_080.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.40s/it] 2it [00:02, 1.37s/it] 3it [00:04, 1.37s/it] 4it [00:05, 1.38s/it] 5it [00:06, 1.39s/it] 6it [00:08, 1.38s/it] 7it [00:09, 1.39s/it] 8it [00:11, 1.39s/it] 9it [00:12, 1.37s/it] 10it [00:13, 1.37s/it] 11it [00:15, 1.38s/it] 12it [00:16, 1.36s/it] 13it [00:17, 1.36s/it] 14it [00:19, 1.37s/it] 15it [00:20, 1.37s/it] 16it [00:21, 1.37s/it] 17it [00:23, 1.38s/it] 18it [00:24, 1.38s/it] 19it [00:26, 1.38s/it] 20it [00:27, 1.37s/it] 21it [00:28, 1.37s/it] 22it [00:30, 1.37s/it] 23it [00:31, 1.37s/it] 24it [00:32, 1.37s/it] 25it [00:34, 1.36s/it] 26it [00:35, 1.35s/it] 27it [00:36, 1.35s/it] 28it [00:38, 1.35s/it] 29it [00:39, 1.36s/it] 30it [00:41, 1.36s/it] 31it [00:42, 1.37s/it] 32it [00:43, 1.37s/it] 33it [00:45, 1.39s/it] 34it [00:46, 1.38s/it] 35it [00:48, 1.39s/it] 36it [00:49, 1.39s/it] 37it [00:50, 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1.38s/it] 952it [21:11, 1.38s/it] 953it [21:12, 1.38s/it] 954it [21:14, 1.38s/it] 955it [21:15, 1.38s/it] 956it [21:16, 1.37s/it] 957it [21:18, 1.36s/it] 958it [21:19, 1.35s/it] 959it [21:20, 1.35s/it] 960it [21:22, 1.35s/it] 961it [21:23, 1.35s/it] 962it [21:25, 1.35s/it] 963it [21:26, 1.35s/it] 964it [21:27, 1.35s/it] 965it [21:29, 1.35s/it] 966it [21:30, 1.35s/it] 967it [21:31, 1.36s/it] 968it [21:33, 1.37s/it] 969it [21:34, 1.37s/it] 970it [21:35, 1.37s/it] 971it [21:37, 1.37s/it] 972it [21:38, 1.37s/it] 973it [21:39, 1.35s/it] 974it [21:41, 1.35s/it] 975it [21:42, 1.34s/it] 976it [21:43, 1.34s/it] 977it [21:45, 1.33s/it] 978it [21:46, 1.34s/it] 979it [21:47, 1.34s/it] 980it [21:49, 1.33s/it] 981it [21:50, 1.33s/it] 982it [21:51, 1.32s/it] 983it [21:53, 1.32s/it] 984it [21:54, 1.33s/it] 985it [21:55, 1.34s/it] 986it [21:57, 1.34s/it] 987it [21:58, 1.35s/it] 988it [21:59, 1.35s/it] 989it [22:01, 1.35s/it] 990it [22:02, 1.34s/it] 991it [22:04, 1.34s/it] 992it [22:05, 1.34s/it] 993it [22:06, 1.34s/it] 994it [22:08, 1.34s/it] 995it [22:09, 1.34s/it] 996it [22:10, 1.34s/it] 997it [22:12, 1.34s/it] 998it [22:13, 1.33s/it] 999it [22:14, 1.33s/it] 1000it [22:16, 1.33s/it] 1000it [22:16, 1.34s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:23:02.952996 +⏰ Completed process in 0:22:16.576395 diff --git a/chunked/d4-dock_081.csv.gz b/chunked/d4-dock_081.csv.gz index 88ffa83537762f5ab112f05e6b1bca6a04517b19..c62a4458a2ba19608b8971db9a01a2cd73f36492 100644 --- a/chunked/d4-dock_081.csv.gz +++ b/chunked/d4-dock_081.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:f3c0f51285d712b021df5647118513b730b991db27b5d08671a30348dcceeeaa -size 32953406 +oid sha256:52733ee38195041f0ef1573c680f42a07bf691511b900d386acee1e6d84269c7 +size 32953408 diff --git a/chunked/d4-dock_081.log b/chunked/d4-dock_081.log index 39a3173b46e2e5e43d681ed5da627b57f06390db..5eefcc6995d95d01dfe6081697e5b0356356af2a 100644 --- a/chunked/d4-dock_081.log +++ b/chunked/d4-dock_081.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.36s/it] 2it [00:02, 1.37s/it] 3it [00:04, 1.36s/it] 4it [00:05, 1.35s/it] 5it [00:06, 1.35s/it] 6it [00:08, 1.35s/it] 7it [00:09, 1.34s/it] 8it [00:10, 1.35s/it] 9it [00:12, 1.36s/it] 10it [00:13, 1.36s/it] 11it [00:14, 1.36s/it] 12it [00:16, 1.37s/it] 13it [00:17, 1.37s/it] 14it [00:19, 1.36s/it] 15it [00:20, 1.36s/it] 16it [00:21, 1.36s/it] 17it [00:23, 1.36s/it] 18it [00:24, 1.36s/it] 19it [00:25, 1.36s/it] 20it [00:27, 1.36s/it] 21it [00:28, 1.36s/it] 22it [00:29, 1.37s/it] 23it [00:31, 1.37s/it] 24it [00:32, 1.38s/it] 25it [00:34, 1.38s/it] 26it [00:35, 1.37s/it] 27it [00:36, 1.37s/it] 28it [00:38, 1.37s/it] 29it 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1.36s/it] 819it [18:15, 1.35s/it] 820it [18:17, 1.34s/it] 821it [18:18, 1.34s/it] 822it [18:19, 1.34s/it] 823it [18:21, 1.34s/it] 824it [18:22, 1.35s/it] 825it [18:23, 1.35s/it] 826it [18:25, 1.34s/it] 827it [18:26, 1.36s/it] 828it [18:27, 1.36s/it] 829it [18:29, 1.35s/it] 830it [18:30, 1.35s/it] 831it [18:31, 1.34s/it] 832it [18:33, 1.35s/it] 833it [18:34, 1.36s/it] 834it [18:36, 1.36s/it] 835it [18:37, 1.34s/it] 836it [18:38, 1.33s/it] 837it [18:40, 1.33s/it] 838it [18:41, 1.32s/it] 839it [18:42, 1.33s/it] 840it [18:44, 1.34s/it] 841it [18:45, 1.34s/it] 842it [18:46, 1.34s/it] 843it [18:48, 1.34s/it] 844it [18:49, 1.34s/it] 845it [18:50, 1.33s/it] 846it [18:51, 1.33s/it] 847it [18:53, 1.32s/it] 848it [18:54, 1.32s/it] 849it [18:55, 1.33s/it] 850it [18:57, 1.33s/it] 851it [18:58, 1.34s/it] 852it [19:00, 1.34s/it] 853it [19:01, 1.34s/it] 854it [19:02, 1.33s/it] 855it [19:03, 1.31s/it] 856it [19:05, 1.30s/it] 857it [19:06, 1.30s/it] 858it [19:07, 1.29s/it] 859it [19:09, 1.30s/it] 860it [19:10, 1.31s/it] 861it [19:11, 1.32s/it] 862it [19:13, 1.32s/it] 863it [19:14, 1.33s/it] 864it [19:15, 1.32s/it] 865it [19:17, 1.32s/it] 866it [19:18, 1.33s/it] 867it [19:19, 1.34s/it] 868it [19:21, 1.34s/it] 869it [19:22, 1.34s/it] 870it [19:23, 1.35s/it] 871it [19:25, 1.36s/it] 872it [19:26, 1.35s/it] 873it [19:27, 1.37s/it] 874it [19:29, 1.37s/it] 875it [19:30, 1.37s/it] 876it [19:32, 1.37s/it] 877it [19:33, 1.37s/it] 878it [19:34, 1.36s/it] 879it [19:36, 1.36s/it] 880it [19:37, 1.35s/it] 881it [19:38, 1.34s/it] 882it [19:40, 1.33s/it] 883it [19:41, 1.33s/it] 884it [19:42, 1.34s/it] 885it [19:44, 1.33s/it] 886it [19:45, 1.34s/it] 887it [19:46, 1.34s/it] 888it [19:48, 1.33s/it] 889it [19:49, 1.33s/it] 890it [19:50, 1.33s/it] 891it [19:52, 1.33s/it] 892it [19:53, 1.32s/it] 893it [19:54, 1.31s/it] 894it [19:55, 1.31s/it] 895it [19:57, 1.31s/it] 896it [19:58, 1.32s/it] 897it [19:59, 1.33s/it] 898it [20:01, 1.34s/it] 899it [20:02, 1.34s/it] 900it [20:04, 1.34s/it] 901it [20:05, 1.33s/it] 902it [20:06, 1.31s/it] 903it [20:07, 1.30s/it] 904it [20:09, 1.30s/it] 905it [20:10, 1.29s/it] 906it [20:11, 1.30s/it] 907it [20:13, 1.31s/it] 908it [20:14, 1.32s/it] 909it [20:15, 1.33s/it] 910it [20:17, 1.34s/it] 911it [20:18, 1.32s/it] 912it [20:19, 1.32s/it] 913it [20:21, 1.33s/it] 914it [20:22, 1.35s/it] 915it [20:23, 1.35s/it] 916it [20:25, 1.35s/it] 917it [20:26, 1.36s/it] 918it [20:27, 1.35s/it] 919it [20:29, 1.36s/it] 920it [20:30, 1.36s/it] 921it [20:32, 1.37s/it] 922it [20:33, 1.36s/it] 923it [20:34, 1.37s/it] 924it [20:36, 1.36s/it] 925it [20:37, 1.36s/it] 926it [20:38, 1.35s/it] 927it [20:40, 1.34s/it] 928it [20:41, 1.33s/it] 929it [20:42, 1.33s/it] 930it [20:44, 1.34s/it] 931it [20:45, 1.33s/it] 932it [20:46, 1.33s/it] 933it [20:48, 1.35s/it] 934it [20:49, 1.34s/it] 935it [20:50, 1.33s/it] 936it [20:52, 1.34s/it] 937it [20:53, 1.36s/it] 938it [20:54, 1.36s/it] 939it [20:56, 1.37s/it] 940it [20:57, 1.37s/it] 941it [20:59, 1.37s/it] 942it [21:00, 1.36s/it] 943it [21:01, 1.35s/it] 944it [21:03, 1.34s/it] 945it [21:04, 1.34s/it] 946it [21:05, 1.35s/it] 947it [21:07, 1.34s/it] 948it [21:08, 1.34s/it] 949it [21:09, 1.35s/it] 950it [21:11, 1.34s/it] 951it [21:12, 1.33s/it] 952it [21:13, 1.33s/it] 953it [21:15, 1.33s/it] 954it [21:16, 1.33s/it] 955it [21:17, 1.31s/it] 956it [21:18, 1.31s/it] 957it [21:20, 1.32s/it] 958it [21:21, 1.32s/it] 959it [21:22, 1.33s/it] 960it [21:24, 1.34s/it] 961it [21:25, 1.35s/it] 962it [21:27, 1.34s/it] 963it [21:28, 1.33s/it] 964it [21:29, 1.32s/it] 965it [21:30, 1.31s/it] 966it [21:32, 1.31s/it] 967it [21:33, 1.30s/it] 968it [21:34, 1.31s/it] 969it [21:36, 1.31s/it] 970it [21:37, 1.32s/it] 971it [21:38, 1.32s/it] 972it [21:40, 1.33s/it] 973it [21:41, 1.33s/it] 974it [21:42, 1.34s/it] 975it [21:44, 1.34s/it] 976it [21:45, 1.35s/it] 977it [21:46, 1.35s/it] 978it [21:48, 1.34s/it] 979it [21:49, 1.35s/it] 980it [21:50, 1.35s/it] 981it [21:52, 1.35s/it] 982it [21:53, 1.36s/it] 983it [21:55, 1.35s/it] 984it [21:56, 1.36s/it] 985it [21:57, 1.36s/it] 986it [21:59, 1.36s/it] 987it [22:00, 1.35s/it] 988it [22:01, 1.36s/it] 989it [22:03, 1.35s/it] 990it [22:04, 1.35s/it] 991it [22:05, 1.34s/it] 992it [22:07, 1.34s/it] 993it [22:08, 1.34s/it] 994it [22:09, 1.32s/it] 995it [22:11, 1.33s/it] 996it [22:12, 1.34s/it] 997it [22:13, 1.35s/it] 998it [22:15, 1.35s/it] 999it [22:16, 1.34s/it] 1000it [22:17, 1.34s/it] 1000it [22:17, 1.34s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:51.873393 +⏰ Completed process in 0:22:18.397458 diff --git a/chunked/d4-dock_082.csv.gz b/chunked/d4-dock_082.csv.gz index e997669cdad079c75f352b0c22bcc1c96670a462..999b43d0825c2437cb1515a2619e9fed0615ebaa 100644 --- a/chunked/d4-dock_082.csv.gz +++ b/chunked/d4-dock_082.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:694213e8c9167f2202a925fb79b3c203146668036d3bd0a641a834965ba77588 -size 33842696 +oid sha256:1aeb9039ded7fb47e393931a8272ba68770923ca9285001640b4210d43b99490 +size 33842723 diff --git a/chunked/d4-dock_082.log b/chunked/d4-dock_082.log index 91e450ebed29cd5af1178b15ee7a69707a8b98e6..63a7b4a823b769722688891691ce3e445a6d479c 100644 --- a/chunked/d4-dock_082.log +++ b/chunked/d4-dock_082.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.44s/it] 2it [00:02, 1.42s/it] 3it [00:04, 1.40s/it] 4it [00:05, 1.39s/it] 5it [00:06, 1.37s/it] 6it [00:08, 1.37s/it] 7it [00:09, 1.37s/it] 8it [00:11, 1.37s/it] 9it [00:12, 1.37s/it] 10it [00:13, 1.37s/it] 11it [00:15, 1.37s/it] 12it [00:16, 1.38s/it] 13it [00:17, 1.38s/it] 14it [00:19, 1.39s/it] 15it [00:20, 1.39s/it] 16it [00:22, 1.41s/it] 17it [00:23, 1.41s/it] 18it [00:25, 1.41s/it] 19it [00:26, 1.41s/it] 20it [00:27, 1.41s/it] 21it [00:29, 1.40s/it] 22it [00:30, 1.40s/it] 23it [00:31, 1.39s/it] 24it [00:33, 1.39s/it] 25it [00:34, 1.39s/it] 26it [00:36, 1.39s/it] 27it [00:37, 1.39s/it] 28it [00:38, 1.38s/it] 29it [00:40, 1.38s/it] 30it [00:41, 1.38s/it] 31it [00:43, 1.39s/it] 32it [00:44, 1.39s/it] 33it [00:45, 1.38s/it] 34it [00:47, 1.37s/it] 35it [00:48, 1.37s/it] 36it [00:49, 1.37s/it] 37it [00:51, 1.37s/it] 38it [00:52, 1.37s/it] 39it [00:53, 1.36s/it] 40it [00:55, 1.35s/it] 41it [00:56, 1.36s/it] 42it [00:58, 1.37s/it] 43it [00:59, 1.36s/it] 44it [01:00, 1.37s/it] 45it [01:02, 1.37s/it] 46it [01:03, 1.37s/it] 47it [01:04, 1.38s/it] 48it [01:06, 1.38s/it] 49it [01:07, 1.37s/it] 50it [01:09, 1.37s/it] 51it [01:10, 1.36s/it] 52it [01:11, 1.37s/it] 53it [01:13, 1.38s/it] 54it [01:14, 1.38s/it] 55it [01:15, 1.39s/it] 56it [01:17, 1.39s/it] 57it [01:18, 1.39s/it] 58it [01:20, 1.39s/it] 59it [01:21, 1.38s/it] 60it [01:22, 1.37s/it] 61it [01:24, 1.37s/it] 62it [01:25, 1.36s/it] 63it [01:27, 1.39s/it] 64it [01:28, 1.39s/it] 65it [01:29, 1.38s/it] 66it [01:31, 1.38s/it] 67it [01:32, 1.37s/it] 68it [01:33, 1.37s/it] 69it [01:35, 1.36s/it] 70it [01:36, 1.36s/it] 71it [01:37, 1.35s/it] 72it [01:39, 1.35s/it] 73it [01:40, 1.35s/it] 74it [01:41, 1.35s/it] 75it [01:43, 1.36s/it] 76it [01:44, 1.37s/it] 77it [01:46, 1.37s/it] 78it [01:47, 1.38s/it] 79it [01:48, 1.39s/it] 80it [01:50, 1.40s/it] 81it [01:51, 1.40s/it] 82it [01:53, 1.41s/it] 83it [01:54, 1.40s/it] 84it [01:55, 1.40s/it] 85it [01:57, 1.41s/it] 86it [01:58, 1.40s/it] 87it [02:00, 1.39s/it] 88it [02:01, 1.39s/it] 89it [02:02, 1.37s/it] 90it [02:04, 1.37s/it] 91it [02:05, 1.36s/it] 92it [02:06, 1.37s/it] 93it [02:08, 1.37s/it] 94it [02:09, 1.37s/it] 95it [02:11, 1.37s/it] 96it [02:12, 1.37s/it] 97it [02:13, 1.37s/it] 98it [02:15, 1.37s/it] 99it [02:16, 1.38s/it] 100it [02:17, 1.39s/it] 101it [02:19, 1.40s/it] 102it [02:20, 1.41s/it] 103it [02:22, 1.41s/it] 104it [02:23, 1.41s/it] 105it [02:25, 1.41s/it] 106it [02:26, 1.41s/it] 107it [02:27, 1.40s/it] 108it [02:29, 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1.42s/it] 813it [18:43, 1.43s/it] 814it [18:44, 1.42s/it] 815it [18:45, 1.41s/it] 816it [18:47, 1.41s/it] 817it [18:48, 1.41s/it] 818it [18:50, 1.41s/it] 819it [18:51, 1.40s/it] 820it [18:52, 1.39s/it] 821it [18:54, 1.37s/it] 822it [18:55, 1.38s/it] 823it [18:56, 1.38s/it] 824it [18:58, 1.37s/it] 825it [18:59, 1.37s/it] 826it [19:01, 1.36s/it] 827it [19:02, 1.38s/it] 828it [19:03, 1.38s/it] 829it [19:05, 1.39s/it] 830it [19:06, 1.40s/it] 831it [19:08, 1.39s/it] 832it [19:09, 1.38s/it] 833it [19:10, 1.38s/it] 834it [19:12, 1.39s/it] 835it [19:13, 1.40s/it] 836it [19:14, 1.39s/it] 837it [19:16, 1.39s/it] 838it [19:17, 1.39s/it] 839it [19:19, 1.39s/it] 840it [19:20, 1.40s/it] 841it [19:21, 1.40s/it] 842it [19:23, 1.40s/it] 843it [19:24, 1.38s/it] 844it [19:26, 1.37s/it] 845it [19:27, 1.38s/it] 846it [19:28, 1.38s/it] 847it [19:30, 1.38s/it] 848it [19:31, 1.37s/it] 849it [19:32, 1.37s/it] 850it [19:34, 1.37s/it] 851it [19:35, 1.38s/it] 852it [19:37, 1.39s/it] 853it [19:38, 1.38s/it] 854it 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1.40s/it] 896it [20:38, 1.39s/it] 897it [20:39, 1.39s/it] 898it [20:40, 1.38s/it] 899it [20:42, 1.38s/it] 900it [20:43, 1.38s/it] 901it [20:45, 1.38s/it] 902it [20:46, 1.39s/it] 903it [20:47, 1.39s/it] 904it [20:49, 1.39s/it] 905it [20:50, 1.39s/it] 906it [20:51, 1.38s/it] 907it [20:53, 1.39s/it] 908it [20:54, 1.40s/it] 909it [20:56, 1.39s/it] 910it [20:57, 1.40s/it] 911it [20:58, 1.39s/it] 912it [21:00, 1.39s/it] 913it [21:01, 1.39s/it] 914it [21:03, 1.39s/it] 915it [21:04, 1.39s/it] 916it [21:05, 1.39s/it] 917it [21:07, 1.38s/it] 918it [21:08, 1.39s/it] 919it [21:10, 1.40s/it] 920it [21:11, 1.40s/it] 921it [21:12, 1.40s/it] 922it [21:14, 1.41s/it] 923it [21:15, 1.42s/it] 924it [21:17, 1.42s/it] 925it [21:18, 1.43s/it] 926it [21:20, 1.42s/it] 927it [21:21, 1.42s/it] 928it [21:22, 1.42s/it] 929it [21:24, 1.41s/it] 930it [21:25, 1.42s/it] 931it [21:27, 1.41s/it] 932it [21:28, 1.41s/it] 933it [21:29, 1.41s/it] 934it [21:31, 1.39s/it] 935it [21:32, 1.39s/it] 936it [21:33, 1.37s/it] 937it [21:35, 1.38s/it] 938it [21:36, 1.37s/it] 939it [21:38, 1.37s/it] 940it [21:39, 1.37s/it] 941it [21:40, 1.37s/it] 942it [21:42, 1.36s/it] 943it [21:43, 1.37s/it] 944it [21:44, 1.37s/it] 945it [21:46, 1.38s/it] 946it [21:47, 1.38s/it] 947it [21:49, 1.39s/it] 948it [21:50, 1.38s/it] 949it [21:51, 1.38s/it] 950it [21:53, 1.39s/it] 951it [21:54, 1.38s/it] 952it [21:56, 1.39s/it] 953it [21:57, 1.39s/it] 954it [21:58, 1.40s/it] 955it [22:00, 1.40s/it] 956it [22:01, 1.40s/it] 957it [22:03, 1.40s/it] 958it [22:04, 1.40s/it] 959it [22:05, 1.38s/it] 960it [22:07, 1.37s/it] 961it [22:08, 1.38s/it] 962it [22:09, 1.39s/it] 963it [22:11, 1.38s/it] 964it [22:12, 1.38s/it] 965it [22:14, 1.38s/it] 966it [22:15, 1.38s/it] 967it [22:16, 1.38s/it] 968it [22:18, 1.38s/it] 969it [22:19, 1.37s/it] 970it [22:20, 1.38s/it] 971it [22:22, 1.38s/it] 972it [22:23, 1.37s/it] 973it [22:25, 1.37s/it] 974it [22:26, 1.37s/it] 975it [22:27, 1.37s/it] 976it [22:29, 1.36s/it] 977it [22:30, 1.36s/it] 978it [22:31, 1.35s/it] 979it [22:33, 1.34s/it] 980it [22:34, 1.35s/it] 981it [22:35, 1.35s/it] 982it [22:37, 1.35s/it] 983it [22:38, 1.35s/it] 984it [22:39, 1.34s/it] 985it [22:41, 1.34s/it] 986it [22:42, 1.33s/it] 987it [22:43, 1.32s/it] 988it [22:45, 1.33s/it] 989it [22:46, 1.33s/it] 990it [22:47, 1.32s/it] 991it [22:49, 1.32s/it] 992it [22:50, 1.32s/it] 993it [22:51, 1.33s/it] 994it [22:53, 1.31s/it] 995it [22:54, 1.31s/it] 996it [22:55, 1.32s/it] 997it [22:57, 1.33s/it] 998it [22:58, 1.32s/it] 999it [22:59, 1.32s/it] 1000it [23:01, 1.32s/it] 1000it [23:01, 1.38s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:23:00.729383 +⏰ Completed process in 0:23:01.571413 diff --git a/chunked/d4-dock_083.csv.gz b/chunked/d4-dock_083.csv.gz index 660a49248608473e87da054453246c2e6b2106dd..6cd1158f46494dd37bed20fd6b70dd298beef5cc 100644 --- a/chunked/d4-dock_083.csv.gz +++ b/chunked/d4-dock_083.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:17319017cd2f55a7c6bbcbe72cb8bae5a44396ae3cb9be300721b1df9437c0d7 -size 33641494 +oid sha256:be6fe9b4b6e9361b5d1ebfff696e55e49863c01b22f9aebf5e06d2dfa0653ed3 +size 33641481 diff --git a/chunked/d4-dock_083.log b/chunked/d4-dock_083.log index 45916f422dae0f3bc3cd7c57c364f1fd758c19fc..18510f08768171bd751856c85def13bd73d362e1 100644 --- a/chunked/d4-dock_083.log +++ b/chunked/d4-dock_083.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.34s/it] 2it [00:02, 1.38s/it] 3it [00:04, 1.39s/it] 4it [00:05, 1.41s/it] 5it [00:06, 1.41s/it] 6it [00:08, 1.40s/it] 7it [00:09, 1.40s/it] 8it [00:11, 1.40s/it] 9it [00:12, 1.40s/it] 10it [00:13, 1.40s/it] 11it [00:15, 1.39s/it] 12it [00:16, 1.39s/it] 13it [00:18, 1.39s/it] 14it [00:19, 1.39s/it] 15it [00:20, 1.38s/it] 16it [00:22, 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[19:08, 1.36s/it] 849it [19:09, 1.36s/it] 850it [19:10, 1.37s/it] 851it [19:12, 1.37s/it] 852it [19:13, 1.38s/it] 853it [19:14, 1.38s/it] 854it [19:16, 1.37s/it] 855it [19:17, 1.36s/it] 856it [19:19, 1.36s/it] 857it [19:20, 1.37s/it] 858it [19:21, 1.37s/it] 859it [19:23, 1.37s/it] 860it [19:24, 1.38s/it] 861it [19:25, 1.37s/it] 862it [19:27, 1.38s/it] 863it [19:28, 1.37s/it] 864it [19:30, 1.37s/it] 865it [19:31, 1.37s/it] 866it [19:32, 1.36s/it] 867it [19:34, 1.37s/it] 868it [19:35, 1.37s/it] 869it [19:36, 1.37s/it] 870it [19:38, 1.37s/it] 871it [19:39, 1.36s/it] 872it [19:40, 1.35s/it] 873it [19:42, 1.35s/it] 874it [19:43, 1.34s/it] 875it [19:44, 1.35s/it] 876it [19:46, 1.35s/it] 877it [19:47, 1.35s/it] 878it [19:48, 1.34s/it] 879it [19:50, 1.35s/it] 880it [19:51, 1.36s/it] 881it [19:53, 1.37s/it] 882it [19:54, 1.38s/it] 883it [19:55, 1.38s/it] 884it [19:57, 1.38s/it] 885it [19:58, 1.38s/it] 886it [20:00, 1.38s/it] 887it [20:01, 1.37s/it] 888it [20:02, 1.37s/it] 889it [20:04, 1.37s/it] 890it [20:05, 1.36s/it] 891it [20:06, 1.36s/it] 892it [20:08, 1.37s/it] 893it [20:09, 1.37s/it] 894it [20:11, 1.38s/it] 895it [20:12, 1.37s/it] 896it [20:13, 1.36s/it] 897it [20:15, 1.36s/it] 898it [20:16, 1.36s/it] 899it [20:17, 1.37s/it] 900it [20:19, 1.37s/it] 901it [20:20, 1.37s/it] 902it [20:21, 1.38s/it] 903it [20:23, 1.37s/it] 904it [20:24, 1.36s/it] 905it [20:25, 1.34s/it] 906it [20:27, 1.34s/it] 907it [20:28, 1.35s/it] 908it [20:29, 1.35s/it] 909it [20:31, 1.36s/it] 910it [20:32, 1.36s/it] 911it [20:34, 1.35s/it] 912it [20:35, 1.36s/it] 913it [20:36, 1.36s/it] 914it [20:38, 1.38s/it] 915it [20:39, 1.37s/it] 916it [20:40, 1.37s/it] 917it [20:42, 1.37s/it] 918it [20:43, 1.37s/it] 919it [20:45, 1.37s/it] 920it [20:46, 1.36s/it] 921it [20:47, 1.37s/it] 922it [20:49, 1.36s/it] 923it [20:50, 1.37s/it] 924it [20:51, 1.37s/it] 925it [20:53, 1.36s/it] 926it [20:54, 1.36s/it] 927it [20:55, 1.36s/it] 928it [20:57, 1.35s/it] 929it [20:58, 1.35s/it] 930it [20:59, 1.35s/it] 931it [21:01, 1.35s/it] 932it [21:02, 1.37s/it] 933it [21:04, 1.37s/it] 934it [21:05, 1.38s/it] 935it [21:06, 1.38s/it] 936it [21:08, 1.38s/it] 937it [21:09, 1.37s/it] 938it [21:10, 1.37s/it] 939it [21:12, 1.36s/it] 940it [21:13, 1.36s/it] 941it [21:15, 1.36s/it] 942it [21:16, 1.35s/it] 943it [21:17, 1.34s/it] 944it [21:19, 1.34s/it] 945it [21:20, 1.34s/it] 946it [21:21, 1.35s/it] 947it [21:23, 1.36s/it] 948it [21:24, 1.36s/it] 949it [21:25, 1.35s/it] 950it [21:27, 1.36s/it] 951it [21:28, 1.35s/it] 952it [21:29, 1.35s/it] 953it [21:31, 1.35s/it] 954it [21:32, 1.35s/it] 955it [21:33, 1.36s/it] 956it [21:35, 1.35s/it] 957it [21:36, 1.35s/it] 958it [21:37, 1.34s/it] 959it [21:39, 1.34s/it] 960it [21:40, 1.35s/it] 961it [21:42, 1.34s/it] 962it [21:43, 1.34s/it] 963it [21:44, 1.34s/it] 964it [21:46, 1.34s/it] 965it [21:47, 1.34s/it] 966it [21:48, 1.35s/it] 967it [21:50, 1.35s/it] 968it [21:51, 1.35s/it] 969it [21:52, 1.35s/it] 970it [21:54, 1.35s/it] 971it [21:55, 1.35s/it] 972it [21:56, 1.35s/it] 973it [21:58, 1.35s/it] 974it [21:59, 1.35s/it] 975it [22:00, 1.34s/it] 976it [22:02, 1.33s/it] 977it [22:03, 1.33s/it] 978it [22:04, 1.33s/it] 979it [22:06, 1.31s/it] 980it [22:07, 1.30s/it] 981it [22:08, 1.30s/it] 982it [22:09, 1.30s/it] 983it [22:11, 1.29s/it] 984it [22:12, 1.29s/it] 985it [22:13, 1.29s/it] 986it [22:15, 1.30s/it] 987it [22:16, 1.31s/it] 988it [22:17, 1.30s/it] 989it [22:19, 1.31s/it] 990it [22:20, 1.32s/it] 991it [22:21, 1.32s/it] 992it [22:23, 1.32s/it] 993it [22:24, 1.31s/it] 994it [22:25, 1.32s/it] 995it [22:27, 1.32s/it] 996it [22:28, 1.32s/it] 997it [22:29, 1.32s/it] 998it [22:30, 1.31s/it] 999it [22:32, 1.32s/it] 1000it [22:33, 1.31s/it] 1000it [22:33, 1.35s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:23:01.089792 +⏰ Completed process in 0:22:34.140070 diff --git a/chunked/d4-dock_084.csv.gz b/chunked/d4-dock_084.csv.gz index 40c6a778a68170cf8f70d40175f5ab4e592faecf..1f9067dda1dfaaeea4e9b7566a27c270069b7af6 100644 --- a/chunked/d4-dock_084.csv.gz +++ b/chunked/d4-dock_084.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:ac9f87a6f42f9af5e1ebee4936ea522d294781810735ec3e0cc240fd4f2d0b71 -size 35266210 +oid sha256:daec99999b8b1ce2702ccb4560444b0b07ba61b1db8d5f583b34e2a085b0c457 +size 35266182 diff --git a/chunked/d4-dock_084.log b/chunked/d4-dock_084.log index dd7f08a259baad57ee0681b672cec1e5c6496249..a12a0d929b79be73434b12552e3a02f76fa706f6 100644 --- a/chunked/d4-dock_084.log +++ b/chunked/d4-dock_084.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.39s/it] 2it [00:02, 1.38s/it] 3it [00:04, 1.38s/it] 4it [00:05, 1.37s/it] 5it [00:06, 1.37s/it] 6it [00:08, 1.38s/it] 7it [00:09, 1.37s/it] 8it [00:10, 1.37s/it] 9it [00:12, 1.37s/it] 10it [00:13, 1.37s/it] 11it [00:15, 1.37s/it] 12it [00:16, 1.38s/it] 13it [00:17, 1.38s/it] 14it [00:19, 1.38s/it] 15it [00:20, 1.38s/it] 16it [00:21, 1.38s/it] 17it [00:23, 1.37s/it] 18it [00:24, 1.38s/it] 19it [00:26, 1.38s/it] 20it [00:27, 1.39s/it] 21it [00:28, 1.38s/it] 22it [00:30, 1.39s/it] 23it [00:31, 1.40s/it] 24it [00:33, 1.40s/it] 25it [00:34, 1.39s/it] 26it [00:35, 1.39s/it] 27it [00:37, 1.39s/it] 28it [00:38, 1.38s/it] 29it [00:39, 1.37s/it] 30it [00:41, 1.37s/it] 31it [00:42, 1.37s/it] 32it [00:44, 1.38s/it] 33it [00:45, 1.38s/it] 34it [00:46, 1.38s/it] 35it [00:48, 1.38s/it] 36it [00:49, 1.38s/it] 37it [00:51, 1.37s/it] 38it [00:52, 1.37s/it] 39it [00:53, 1.37s/it] 40it [00:55, 1.36s/it] 41it [00:56, 1.35s/it] 42it [00:57, 1.34s/it] 43it [00:59, 1.34s/it] 44it [01:00, 1.33s/it] 45it [01:01, 1.34s/it] 46it [01:03, 1.36s/it] 47it [01:04, 1.36s/it] 48it [01:05, 1.37s/it] 49it [01:07, 1.36s/it] 50it [01:08, 1.36s/it] 51it [01:09, 1.37s/it] 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1.41s/it] 883it [20:39, 1.42s/it] 884it [20:40, 1.41s/it] 885it [20:42, 1.41s/it] 886it [20:43, 1.41s/it] 887it [20:44, 1.40s/it] 888it [20:46, 1.41s/it] 889it [20:47, 1.41s/it] 890it [20:49, 1.41s/it] 891it [20:50, 1.42s/it] 892it [20:51, 1.41s/it] 893it [20:53, 1.41s/it] 894it [20:54, 1.41s/it] 895it [20:56, 1.38s/it] 896it [20:57, 1.37s/it] 897it [20:58, 1.38s/it] 898it [21:00, 1.39s/it] 899it [21:01, 1.41s/it] 900it [21:03, 1.41s/it] 901it [21:04, 1.42s/it] 902it [21:05, 1.41s/it] 903it [21:07, 1.41s/it] 904it [21:08, 1.41s/it] 905it [21:10, 1.42s/it] 906it [21:11, 1.42s/it] 907it [21:13, 1.43s/it] 908it [21:14, 1.44s/it] 909it [21:15, 1.43s/it] 910it [21:17, 1.42s/it] 911it [21:18, 1.41s/it] 912it [21:20, 1.41s/it] 913it [21:21, 1.42s/it] 914it [21:22, 1.40s/it] 915it [21:24, 1.41s/it] 916it [21:25, 1.40s/it] 917it [21:27, 1.38s/it] 918it [21:28, 1.38s/it] 919it [21:29, 1.38s/it] 920it [21:31, 1.37s/it] 921it [21:32, 1.36s/it] 922it [21:33, 1.37s/it] 923it [21:35, 1.42s/it] 924it [21:36, 1.43s/it] 925it [21:38, 1.50s/it] 926it [21:39, 1.46s/it] 927it [21:41, 1.44s/it] 928it [21:42, 1.43s/it] 929it [21:44, 1.41s/it] 930it [21:45, 1.40s/it] 931it [21:47, 1.50s/it] 932it [21:48, 1.52s/it] 933it [21:50, 1.50s/it] 934it [21:51, 1.48s/it] 935it [21:53, 1.47s/it] 936it [21:54, 1.46s/it] 937it [21:55, 1.44s/it] 938it [21:57, 1.44s/it] 939it [21:58, 1.43s/it] 940it [22:00, 1.43s/it] 941it [22:01, 1.42s/it] 942it [22:03, 1.43s/it] 943it [22:04, 1.43s/it] 944it [22:05, 1.42s/it] 945it [22:07, 1.42s/it] 946it [22:08, 1.40s/it] 947it [22:10, 1.41s/it] 948it [22:11, 1.41s/it] 949it [22:12, 1.42s/it] 950it [22:14, 1.43s/it] 951it [22:15, 1.43s/it] 952it [22:17, 1.43s/it] 953it [22:18, 1.43s/it] 954it [22:20, 1.43s/it] 955it [22:21, 1.44s/it] 956it [22:23, 1.44s/it] 957it [22:24, 1.44s/it] 958it [22:25, 1.44s/it] 959it [22:27, 1.44s/it] 960it [22:28, 1.43s/it] 961it [22:30, 1.42s/it] 962it [22:31, 1.42s/it] 963it [22:33, 1.42s/it] 964it [22:34, 1.42s/it] 965it [22:35, 1.41s/it] 966it [22:37, 1.40s/it] 967it [22:38, 1.41s/it] 968it [22:40, 1.41s/it] 969it [22:41, 1.42s/it] 970it [22:42, 1.42s/it] 971it [22:44, 1.42s/it] 972it [22:45, 1.43s/it] 973it [22:47, 1.42s/it] 974it [22:48, 1.41s/it] 975it [22:49, 1.41s/it] 976it [22:51, 1.41s/it] 977it [22:52, 1.42s/it] 978it [22:54, 1.42s/it] 979it [22:55, 1.42s/it] 980it [22:57, 1.41s/it] 981it [22:58, 1.41s/it] 982it [22:59, 1.42s/it] 983it [23:01, 1.42s/it] 984it [23:02, 1.42s/it] 985it [23:04, 1.42s/it] 986it [23:05, 1.40s/it] 987it [23:06, 1.39s/it] 988it [23:08, 1.38s/it] 989it [23:09, 1.37s/it] 990it [23:11, 1.39s/it] 991it [23:12, 1.40s/it] 992it [23:13, 1.41s/it] 993it [23:15, 1.42s/it] 994it [23:16, 1.43s/it] 995it [23:18, 1.43s/it] 996it [23:19, 1.42s/it] 997it [23:21, 1.43s/it] 998it [23:22, 1.42s/it] 999it [23:23, 1.41s/it] 1000it [23:25, 1.40s/it] 1000it [23:25, 1.41s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:23:09.629472 +⏰ Completed process in 0:23:25.713168 diff --git a/chunked/d4-dock_085.csv.gz b/chunked/d4-dock_085.csv.gz index 4945616234b8851078c9bb134c62892b0703095a..3a86540c8494c07c5d7d560d970ba3c1cde76562 100644 --- a/chunked/d4-dock_085.csv.gz +++ b/chunked/d4-dock_085.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:22fc2211acff59c019c21aee91d304476b320d64372b24986de70585e3777318 -size 35531560 +oid sha256:03ce950f4741fcab7f697061fb1b4639f800e66d9f552123cf607fcec2fbec3f +size 35531537 diff --git a/chunked/d4-dock_085.log b/chunked/d4-dock_085.log index 10d6ffb1e69ac7fba83f5a461eaa7f2bbe6f01ab..a211581c3492da22fa92d759b29e84aac7358827 100644 --- a/chunked/d4-dock_085.log +++ b/chunked/d4-dock_085.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.37s/it] 2it [00:02, 1.38s/it] 3it [00:04, 1.37s/it] 4it [00:05, 1.38s/it] 5it [00:06, 1.37s/it] 6it [00:08, 1.37s/it] 7it [00:09, 1.37s/it] 8it [00:10, 1.36s/it] 9it [00:12, 1.37s/it] 10it [00:13, 1.36s/it] 11it [00:15, 1.36s/it] 12it [00:16, 1.36s/it] 13it [00:17, 1.35s/it] 14it [00:19, 1.35s/it] 15it [00:20, 1.36s/it] 16it [00:21, 1.36s/it] 17it [00:23, 1.36s/it] 18it [00:24, 1.37s/it] 19it [00:25, 1.36s/it] 20it [00:27, 1.36s/it] 21it [00:28, 1.37s/it] 22it [00:30, 1.37s/it] 23it [00:31, 1.38s/it] 24it [00:32, 1.38s/it] 25it [00:34, 1.37s/it] 26it [00:35, 1.37s/it] 27it [00:36, 1.37s/it] 28it [00:38, 1.37s/it] 29it [00:39, 1.37s/it] 30it [00:40, 1.37s/it] 31it [00:42, 1.37s/it] 32it [00:43, 1.36s/it] 33it [00:45, 1.36s/it] 34it [00:46, 1.37s/it] 35it [00:47, 1.38s/it] 36it [00:49, 1.37s/it] 37it [00:50, 1.38s/it] 38it [00:51, 1.38s/it] 39it [00:53, 1.39s/it] 40it [00:54, 1.39s/it] 41it [00:56, 1.39s/it] 42it [00:57, 1.39s/it] 43it [00:58, 1.39s/it] 44it [01:00, 1.39s/it] 45it [01:01, 1.39s/it] 46it [01:03, 1.39s/it] 47it 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1.34s/it] 920it [20:40, 1.34s/it] 921it [20:41, 1.35s/it] 922it [20:42, 1.35s/it] 923it [20:44, 1.36s/it] 924it [20:45, 1.36s/it] 925it [20:46, 1.36s/it] 926it [20:48, 1.37s/it] 927it [20:49, 1.37s/it] 928it [20:51, 1.37s/it] 929it [20:52, 1.36s/it] 930it [20:53, 1.35s/it] 931it [20:54, 1.34s/it] 932it [20:56, 1.34s/it] 933it [20:57, 1.33s/it] 934it [20:58, 1.33s/it] 935it [21:00, 1.32s/it] 936it [21:01, 1.33s/it] 937it [21:02, 1.33s/it] 938it [21:04, 1.33s/it] 939it [21:05, 1.33s/it] 940it [21:06, 1.33s/it] 941it [21:08, 1.33s/it] 942it [21:09, 1.33s/it] 943it [21:10, 1.34s/it] 944it [21:12, 1.35s/it] 945it [21:13, 1.36s/it] 946it [21:15, 1.36s/it] 947it [21:16, 1.36s/it] 948it [21:17, 1.35s/it] 949it [21:19, 1.34s/it] 950it [21:20, 1.33s/it] 951it [21:21, 1.32s/it] 952it [21:23, 1.32s/it] 953it [21:24, 1.32s/it] 954it [21:25, 1.32s/it] 955it [21:26, 1.32s/it] 956it [21:28, 1.33s/it] 957it [21:29, 1.33s/it] 958it [21:31, 1.34s/it] 959it [21:32, 1.34s/it] 960it [21:33, 1.34s/it] 961it [21:35, 1.34s/it] 962it [21:36, 1.34s/it] 963it [21:37, 1.35s/it] 964it [21:39, 1.34s/it] 965it [21:40, 1.35s/it] 966it [21:41, 1.35s/it] 967it [21:43, 1.35s/it] 968it [21:44, 1.34s/it] 969it [21:45, 1.33s/it] 970it [21:47, 1.33s/it] 971it [21:48, 1.32s/it] 972it [21:49, 1.31s/it] 973it [21:50, 1.31s/it] 974it [21:52, 1.30s/it] 975it [21:53, 1.30s/it] 976it [21:54, 1.30s/it] 977it [21:56, 1.30s/it] 978it [21:57, 1.30s/it] 979it [21:58, 1.31s/it] 980it [22:00, 1.32s/it] 981it [22:01, 1.32s/it] 982it [22:02, 1.32s/it] 983it [22:04, 1.32s/it] 984it [22:05, 1.32s/it] 985it [22:06, 1.32s/it] 986it [22:08, 1.32s/it] 987it [22:09, 1.33s/it] 988it [22:10, 1.34s/it] 989it [22:12, 1.34s/it] 990it [22:13, 1.34s/it] 991it [22:14, 1.34s/it] 992it [22:16, 1.33s/it] 993it [22:17, 1.33s/it] 994it [22:18, 1.32s/it] 995it [22:20, 1.32s/it] 996it [22:21, 1.31s/it] 997it [22:22, 1.31s/it] 998it [22:23, 1.31s/it] 999it [22:25, 1.31s/it] 1000it [22:26, 1.32s/it] 1000it [22:26, 1.35s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:23:07.808526 +⏰ Completed process in 0:22:27.110549 diff --git a/chunked/d4-dock_086.csv.gz b/chunked/d4-dock_086.csv.gz index 9e0a078e8cf99768adfc5209a25b0bc65eea9425..eb7ae37f16d74b12958e6a44869f68e3fcc870d5 100644 --- a/chunked/d4-dock_086.csv.gz +++ b/chunked/d4-dock_086.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:a90e8edcbe6b4851fbf35af23a251edf43d866e2cb38f5464e034e132d554379 -size 35751470 +oid sha256:810a0eb964e1b11a334876aee63dfbf08d37e42976158fe40fe6b3ff1dfb57a8 +size 35751461 diff --git a/chunked/d4-dock_086.log b/chunked/d4-dock_086.log index aeab48f007e911e06231a97efefc75c72dbef7e7..7ded1c11f4d55cf32a692565c9ed22056126aee8 100644 --- a/chunked/d4-dock_086.log +++ b/chunked/d4-dock_086.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.40s/it] 2it [00:02, 1.40s/it] 3it [00:04, 1.40s/it] 4it [00:05, 1.40s/it] 5it [00:07, 1.41s/it] 6it [00:08, 1.40s/it] 7it [00:09, 1.41s/it] 8it [00:11, 1.41s/it] 9it [00:12, 1.41s/it] 10it [00:14, 1.41s/it] 11it [00:15, 1.41s/it] 12it [00:16, 1.40s/it] 13it [00:18, 1.39s/it] 14it [00:19, 1.38s/it] 15it [00:20, 1.38s/it] 16it [00:22, 1.38s/it] 17it [00:23, 1.37s/it] 18it [00:25, 1.37s/it] 19it [00:26, 1.37s/it] 20it [00:27, 1.38s/it] 21it [00:29, 1.38s/it] 22it [00:30, 1.37s/it] 23it [00:31, 1.38s/it] 24it [00:33, 1.39s/it] 25it [00:34, 1.38s/it] 26it [00:36, 1.39s/it] 27it [00:37, 1.40s/it] 28it [00:38, 1.40s/it] 29it [00:40, 1.40s/it] 30it [00:41, 1.40s/it] 31it [00:43, 1.39s/it] 32it [00:44, 1.38s/it] 33it [00:45, 1.37s/it] 34it [00:47, 1.37s/it] 35it [00:48, 1.37s/it] 36it [00:49, 1.37s/it] 37it [00:51, 1.36s/it] 38it [00:52, 1.36s/it] 39it [00:54, 1.37s/it] 40it [00:55, 1.38s/it] 41it [00:56, 1.38s/it] 42it [00:58, 1.38s/it] 43it [00:59, 1.39s/it] 44it [01:00, 1.39s/it] 45it [01:02, 1.39s/it] 46it [01:03, 1.40s/it] 47it [01:05, 1.41s/it] 48it [01:06, 1.41s/it] 49it [01:08, 1.41s/it] 50it [01:09, 1.39s/it] 51it [01:10, 1.38s/it] 52it [01:12, 1.37s/it] 53it [01:13, 1.37s/it] 54it [01:14, 1.37s/it] 55it [01:16, 1.37s/it] 56it [01:17, 1.36s/it] 57it [01:18, 1.37s/it] 58it [01:20, 1.37s/it] 59it [01:21, 1.37s/it] 60it [01:23, 1.37s/it] 61it [01:24, 1.38s/it] 62it [01:25, 1.39s/it] 63it [01:27, 1.40s/it] 64it [01:28, 1.40s/it] 65it [01:30, 1.40s/it] 66it [01:31, 1.41s/it] 67it [01:32, 1.41s/it] 68it [01:34, 1.39s/it] 69it [01:35, 1.38s/it] 70it [01:36, 1.37s/it] 71it [01:38, 1.36s/it] 72it [01:39, 1.37s/it] 73it [01:41, 1.37s/it] 74it [01:42, 1.38s/it] 75it [01:43, 1.40s/it] 76it [01:45, 1.41s/it] 77it [01:46, 1.40s/it] 78it [01:48, 1.38s/it] 79it [01:49, 1.37s/it] 80it [01:50, 1.38s/it] 81it [01:52, 1.39s/it] 82it [01:53, 1.38s/it] 83it [01:54, 1.37s/it] 84it [01:56, 1.37s/it] 85it [01:57, 1.36s/it] 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[02:55, 1.36s/it] 129it [02:57, 1.36s/it] 130it [02:58, 1.35s/it] 131it [02:59, 1.32s/it] 132it [03:00, 1.32s/it] 133it [03:02, 1.32s/it] 134it [03:03, 1.33s/it] 135it [03:04, 1.32s/it] 136it [03:06, 1.32s/it] 137it [03:07, 1.30s/it] 138it [03:08, 1.31s/it] 139it [03:10, 1.31s/it] 140it [03:11, 1.32s/it] 141it [03:12, 1.33s/it] 142it [03:14, 1.33s/it] 143it [03:15, 1.34s/it] 144it [03:16, 1.34s/it] 145it [03:18, 1.35s/it] 146it [03:19, 1.35s/it] 147it [03:20, 1.36s/it] 148it [03:22, 1.36s/it] 149it [03:23, 1.36s/it] 150it [03:25, 1.36s/it] 151it [03:26, 1.37s/it] 152it [03:27, 1.37s/it] 153it [03:29, 1.37s/it] 154it [03:30, 1.37s/it] 155it [03:31, 1.36s/it] 156it [03:33, 1.36s/it] 157it [03:34, 1.37s/it] 158it [03:36, 1.37s/it] 159it [03:37, 1.37s/it] 160it [03:38, 1.38s/it] 161it [03:40, 1.38s/it] 162it [03:41, 1.39s/it] 163it [03:42, 1.39s/it] 164it [03:44, 1.40s/it] 165it [03:45, 1.38s/it] 166it [03:47, 1.37s/it] 167it [03:48, 1.37s/it] 168it [03:49, 1.36s/it] 169it [03:51, 1.35s/it] 170it [03:52, 1.35s/it] 171it [03:53, 1.35s/it] 172it [03:55, 1.36s/it] 173it [03:56, 1.36s/it] 174it [03:57, 1.36s/it] 175it [03:59, 1.36s/it] 176it [04:00, 1.36s/it] 177it [04:01, 1.36s/it] 178it [04:03, 1.35s/it] 179it [04:04, 1.34s/it] 180it [04:06, 1.35s/it] 181it [04:07, 1.37s/it] 182it [04:08, 1.37s/it] 183it [04:10, 1.37s/it] 184it [04:11, 1.37s/it] 185it [04:12, 1.36s/it] 186it [04:14, 1.36s/it] 187it [04:15, 1.36s/it] 188it [04:16, 1.35s/it] 189it [04:18, 1.36s/it] 190it [04:19, 1.36s/it] 191it [04:21, 1.37s/it] 192it [04:22, 1.37s/it] 193it [04:23, 1.37s/it] 194it [04:25, 1.36s/it] 195it [04:26, 1.36s/it] 196it [04:27, 1.37s/it] 197it [04:29, 1.37s/it] 198it [04:30, 1.36s/it] 199it [04:31, 1.36s/it] 200it [04:33, 1.35s/it] 201it [04:34, 1.35s/it] 202it [04:35, 1.34s/it] 203it [04:37, 1.34s/it] 204it [04:38, 1.35s/it] 205it [04:39, 1.35s/it] 206it [04:41, 1.35s/it] 207it [04:42, 1.35s/it] 208it [04:44, 1.36s/it] 209it [04:45, 1.36s/it] 210it [04:46, 1.37s/it] 211it 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[20:03, 1.32s/it] 916it [20:05, 1.32s/it] 917it [20:06, 1.32s/it] 918it [20:07, 1.32s/it] 919it [20:09, 1.32s/it] 920it [20:10, 1.32s/it] 921it [20:11, 1.32s/it] 922it [20:13, 1.32s/it] 923it [20:14, 1.31s/it] 924it [20:15, 1.31s/it] 925it [20:17, 1.30s/it] 926it [20:18, 1.30s/it] 927it [20:19, 1.30s/it] 928it [20:20, 1.30s/it] 929it [20:22, 1.30s/it] 930it [20:23, 1.28s/it] 931it [20:24, 1.27s/it] 932it [20:26, 1.27s/it] 933it [20:27, 1.28s/it] 934it [20:28, 1.27s/it] 935it [20:29, 1.29s/it] 936it [20:31, 1.29s/it] 937it [20:32, 1.29s/it] 938it [20:33, 1.29s/it] 939it [20:35, 1.30s/it] 940it [20:36, 1.29s/it] 941it [20:37, 1.28s/it] 942it [20:38, 1.29s/it] 943it [20:40, 1.30s/it] 944it [20:41, 1.30s/it] 945it [20:42, 1.28s/it] 946it [20:44, 1.29s/it] 947it [20:45, 1.29s/it] 948it [20:46, 1.29s/it] 949it [20:48, 1.30s/it] 950it [20:49, 1.29s/it] 951it [20:50, 1.30s/it] 952it [20:51, 1.31s/it] 953it [20:53, 1.30s/it] 954it [20:54, 1.30s/it] 955it [20:55, 1.30s/it] 956it [20:57, 1.29s/it] 957it [20:58, 1.29s/it] 958it [20:59, 1.29s/it] 959it [21:00, 1.28s/it] 960it [21:02, 1.28s/it] 961it [21:03, 1.28s/it] 962it [21:04, 1.28s/it] 963it [21:06, 1.28s/it] 964it [21:07, 1.26s/it] 965it [21:08, 1.25s/it] 966it [21:09, 1.26s/it] 967it [21:11, 1.26s/it] 968it [21:12, 1.26s/it] 969it [21:13, 1.27s/it] 970it [21:14, 1.28s/it] 971it [21:16, 1.28s/it] 972it [21:17, 1.28s/it] 973it [21:18, 1.28s/it] 974it [21:20, 1.28s/it] 975it [21:21, 1.29s/it] 976it [21:22, 1.29s/it] 977it [21:23, 1.29s/it] 978it [21:25, 1.30s/it] 979it [21:26, 1.29s/it] 980it [21:27, 1.29s/it] 981it [21:29, 1.30s/it] 982it [21:30, 1.30s/it] 983it [21:31, 1.29s/it] 984it [21:33, 1.30s/it] 985it [21:34, 1.30s/it] 986it [21:35, 1.31s/it] 987it [21:36, 1.30s/it] 988it [21:38, 1.30s/it] 989it [21:39, 1.30s/it] 990it [21:40, 1.30s/it] 991it [21:42, 1.30s/it] 992it [21:43, 1.30s/it] 993it [21:44, 1.31s/it] 994it [21:46, 1.30s/it] 995it [21:47, 1.30s/it] 996it [21:48, 1.31s/it] 997it [21:50, 1.32s/it] 998it [21:51, 1.33s/it] 999it [21:52, 1.33s/it] 1000it [21:54, 1.33s/it] 1000it [21:54, 1.31s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:50.852631 +⏰ Completed process in 0:21:54.452800 diff --git a/chunked/d4-dock_087.csv.gz b/chunked/d4-dock_087.csv.gz index 61a13bcd6723c4a894abf2ca151692b5bdcb1b12..9033cc5ac62f5ac2a009e59040a67f3719f6dced 100644 --- a/chunked/d4-dock_087.csv.gz +++ b/chunked/d4-dock_087.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:a55729882b3bd46752e895dce0ca53974152a508f81a1574cdeee71756843781 -size 36915969 +oid sha256:595fc92aa05f43bfedd3047ea6959f5c75f9bd616333c2b100f14bb208e31767 +size 36916004 diff --git a/chunked/d4-dock_087.log b/chunked/d4-dock_087.log index 9c40dd0041f1c7bfa68ebc5b15a063978b5ac34d..1bd1f602e05cf3c3d7a3d675fca7cea087b3d10f 100644 --- a/chunked/d4-dock_087.log +++ b/chunked/d4-dock_087.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.41s/it] 2it [00:02, 1.37s/it] 3it [00:04, 1.36s/it] 4it [00:05, 1.36s/it] 5it [00:06, 1.35s/it] 6it [00:08, 1.34s/it] 7it [00:09, 1.33s/it] 8it [00:10, 1.33s/it] 9it [00:12, 1.34s/it] 10it [00:13, 1.34s/it] 11it [00:14, 1.34s/it] 12it [00:16, 1.34s/it] 13it [00:17, 1.34s/it] 14it [00:18, 1.35s/it] 15it [00:20, 1.35s/it] 16it [00:21, 1.34s/it] 17it [00:22, 1.34s/it] 18it [00:24, 1.34s/it] 19it [00:25, 1.36s/it] 20it [00:26, 1.36s/it] 21it [00:28, 1.37s/it] 22it [00:29, 1.37s/it] 23it [00:31, 1.38s/it] 24it [00:32, 1.38s/it] 25it [00:33, 1.37s/it] 26it [00:35, 1.36s/it] 27it [00:36, 1.35s/it] 28it [00:37, 1.36s/it] 29it [00:39, 1.36s/it] 30it [00:40, 1.36s/it] 31it [00:41, 1.34s/it] 32it [00:43, 1.34s/it] 33it [00:44, 1.35s/it] 34it [00:45, 1.35s/it] 35it [00:47, 1.35s/it] 36it [00:48, 1.35s/it] 37it [00:50, 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1.36s/it] 952it [21:36, 1.35s/it] 953it [21:38, 1.35s/it] 954it [21:39, 1.36s/it] 955it [21:40, 1.35s/it] 956it [21:42, 1.35s/it] 957it [21:43, 1.35s/it] 958it [21:44, 1.35s/it] 959it [21:46, 1.35s/it] 960it [21:47, 1.34s/it] 961it [21:48, 1.34s/it] 962it [21:50, 1.34s/it] 963it [21:51, 1.34s/it] 964it [21:52, 1.34s/it] 965it [21:54, 1.34s/it] 966it [21:55, 1.34s/it] 967it [21:56, 1.35s/it] 968it [21:58, 1.35s/it] 969it [21:59, 1.36s/it] 970it [22:01, 1.36s/it] 971it [22:02, 1.36s/it] 972it [22:03, 1.38s/it] 973it [22:05, 1.38s/it] 974it [22:06, 1.39s/it] 975it [22:08, 1.39s/it] 976it [22:09, 1.39s/it] 977it [22:10, 1.39s/it] 978it [22:12, 1.38s/it] 979it [22:13, 1.36s/it] 980it [22:14, 1.35s/it] 981it [22:16, 1.35s/it] 982it [22:17, 1.35s/it] 983it [22:18, 1.35s/it] 984it [22:20, 1.35s/it] 985it [22:21, 1.35s/it] 986it [22:22, 1.35s/it] 987it [22:24, 1.36s/it] 988it [22:25, 1.35s/it] 989it [22:26, 1.35s/it] 990it [22:28, 1.35s/it] 991it [22:29, 1.34s/it] 992it [22:30, 1.34s/it] 993it [22:32, 1.34s/it] 994it [22:33, 1.35s/it] 995it [22:34, 1.34s/it] 996it [22:36, 1.34s/it] 997it [22:37, 1.35s/it] 998it [22:39, 1.35s/it] 999it [22:40, 1.35s/it] 1000it [22:41, 1.35s/it] 1000it [22:41, 1.36s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:48.609308 +⏰ Completed process in 0:22:42.285113 diff --git a/chunked/d4-dock_088.csv.gz b/chunked/d4-dock_088.csv.gz index 415ef1a5c7ede29510cb25720263e0cad1c3a423..2502c611acb63bfb7bd952f6fe503a28d91b1bf2 100644 --- a/chunked/d4-dock_088.csv.gz +++ b/chunked/d4-dock_088.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:8a214d8db1cd9624ba779e46630f8eb7865ac3b3231689e4c18b878083fc26e7 -size 37192118 +oid sha256:7b5c823335dac2f5eab6eedb8ef99211a880e647e28ab0f934f3cbf45ee14e38 +size 37192161 diff --git a/chunked/d4-dock_088.log b/chunked/d4-dock_088.log index 8ec59df6ff0038dc64fd623488e065d95a5cc002..7dfbf6cc70568599a5c36a574e2a178b9f9cebaf 100644 --- a/chunked/d4-dock_088.log +++ b/chunked/d4-dock_088.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.40s/it] 2it [00:02, 1.40s/it] 3it [00:04, 1.41s/it] 4it [00:05, 1.41s/it] 5it [00:07, 1.40s/it] 6it [00:08, 1.40s/it] 7it [00:09, 1.38s/it] 8it [00:11, 1.39s/it] 9it [00:12, 1.38s/it] 10it [00:13, 1.37s/it] 11it [00:15, 1.37s/it] 12it [00:16, 1.37s/it] 13it [00:17, 1.37s/it] 14it [00:19, 1.37s/it] 15it [00:20, 1.36s/it] 16it [00:22, 1.37s/it] 17it [00:23, 1.37s/it] 18it [00:24, 1.37s/it] 19it [00:26, 1.36s/it] 20it [00:27, 1.35s/it] 21it [00:28, 1.36s/it] 22it [00:30, 1.36s/it] 23it [00:31, 1.36s/it] 24it [00:32, 1.36s/it] 25it [00:34, 1.36s/it] 26it [00:35, 1.36s/it] 27it [00:37, 1.37s/it] 28it [00:38, 1.37s/it] 29it 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[17:58, 1.37s/it] 778it [18:00, 1.37s/it] 779it [18:01, 1.38s/it] 780it [18:02, 1.38s/it] 781it [18:04, 1.39s/it] 782it [18:05, 1.40s/it] 783it [18:07, 1.40s/it] 784it [18:08, 1.40s/it] 785it [18:09, 1.40s/it] 786it [18:11, 1.39s/it] 787it [18:12, 1.39s/it] 788it [18:14, 1.38s/it] 789it [18:15, 1.38s/it] 790it [18:16, 1.38s/it] 791it [18:18, 1.38s/it] 792it [18:19, 1.38s/it] 793it [18:20, 1.38s/it] 794it [18:22, 1.39s/it] 795it [18:23, 1.40s/it] 796it [18:25, 1.40s/it] 797it [18:26, 1.39s/it] 798it [18:27, 1.39s/it] 799it [18:29, 1.38s/it] 800it [18:30, 1.38s/it] 801it [18:31, 1.37s/it] 802it [18:33, 1.40s/it] 803it [18:34, 1.42s/it] 804it [18:36, 1.41s/it] 805it [18:37, 1.40s/it] 806it [18:39, 1.39s/it] 807it [18:40, 1.37s/it] 808it [18:41, 1.37s/it] 809it [18:43, 1.36s/it] 810it [18:44, 1.37s/it] 811it [18:45, 1.37s/it] 812it [18:47, 1.38s/it] 813it [18:48, 1.38s/it] 814it [18:50, 1.38s/it] 815it [18:51, 1.39s/it] 816it [18:52, 1.40s/it] 817it [18:54, 1.40s/it] 818it [18:55, 1.40s/it] 819it [18:57, 1.41s/it] 820it [18:58, 1.40s/it] 821it [18:59, 1.41s/it] 822it [19:01, 1.41s/it] 823it [19:02, 1.41s/it] 824it [19:04, 1.41s/it] 825it [19:05, 1.40s/it] 826it [19:06, 1.39s/it] 827it [19:08, 1.40s/it] 828it [19:09, 1.39s/it] 829it [19:11, 1.39s/it] 830it [19:12, 1.38s/it] 831it [19:13, 1.38s/it] 832it [19:15, 1.39s/it] 833it [19:16, 1.39s/it] 834it [19:18, 1.40s/it] 835it [19:19, 1.41s/it] 836it [19:20, 1.40s/it] 837it [19:22, 1.40s/it] 838it [19:23, 1.39s/it] 839it [19:24, 1.39s/it] 840it [19:26, 1.38s/it] 841it [19:27, 1.38s/it] 842it [19:29, 1.38s/it] 843it [19:30, 1.38s/it] 844it [19:31, 1.38s/it] 845it [19:33, 1.37s/it] 846it [19:34, 1.38s/it] 847it [19:35, 1.38s/it] 848it [19:37, 1.39s/it] 849it [19:38, 1.39s/it] 850it [19:40, 1.40s/it] 851it [19:41, 1.41s/it] 852it [19:43, 1.41s/it] 853it [19:44, 1.41s/it] 854it [19:45, 1.40s/it] 855it [19:47, 1.39s/it] 856it [19:48, 1.38s/it] 857it [19:49, 1.38s/it] 858it [19:51, 1.38s/it] 859it [19:52, 1.39s/it] 860it [19:54, 1.38s/it] 861it [19:55, 1.38s/it] 862it [19:56, 1.39s/it] 863it [19:58, 1.40s/it] 864it [19:59, 1.40s/it] 865it [20:01, 1.40s/it] 866it [20:02, 1.40s/it] 867it [20:03, 1.39s/it] 868it [20:05, 1.38s/it] 869it [20:06, 1.37s/it] 870it [20:07, 1.37s/it] 871it [20:09, 1.37s/it] 872it [20:10, 1.37s/it] 873it [20:12, 1.37s/it] 874it [20:13, 1.38s/it] 875it [20:14, 1.38s/it] 876it [20:16, 1.39s/it] 877it [20:17, 1.39s/it] 878it [20:19, 1.40s/it] 879it [20:20, 1.41s/it] 880it [20:21, 1.41s/it] 881it [20:23, 1.41s/it] 882it [20:24, 1.41s/it] 883it [20:26, 1.40s/it] 884it [20:27, 1.39s/it] 885it [20:28, 1.38s/it] 886it [20:30, 1.38s/it] 887it [20:31, 1.38s/it] 888it [20:33, 1.39s/it] 889it [20:34, 1.39s/it] 890it [20:35, 1.39s/it] 891it [20:37, 1.39s/it] 892it [20:38, 1.40s/it] 893it [20:40, 1.40s/it] 894it [20:41, 1.39s/it] 895it [20:42, 1.39s/it] 896it [20:44, 1.39s/it] 897it [20:45, 1.37s/it] 898it [20:46, 1.38s/it] 899it [20:48, 1.37s/it] 900it [20:49, 1.37s/it] 901it [20:50, 1.37s/it] 902it [20:52, 1.38s/it] 903it [20:53, 1.38s/it] 904it [20:55, 1.39s/it] 905it [20:56, 1.39s/it] 906it [20:57, 1.40s/it] 907it [20:59, 1.40s/it] 908it [21:00, 1.41s/it] 909it [21:02, 1.41s/it] 910it [21:03, 1.41s/it] 911it [21:05, 1.39s/it] 912it [21:06, 1.39s/it] 913it [21:07, 1.38s/it] 914it [21:09, 1.38s/it] 915it [21:10, 1.38s/it] 916it [21:11, 1.39s/it] 917it [21:13, 1.39s/it] 918it [21:14, 1.39s/it] 919it [21:16, 1.39s/it] 920it [21:17, 1.40s/it] 921it [21:18, 1.40s/it] 922it [21:20, 1.40s/it] 923it [21:21, 1.39s/it] 924it [21:23, 1.39s/it] 925it [21:24, 1.37s/it] 926it [21:25, 1.38s/it] 927it [21:27, 1.37s/it] 928it [21:28, 1.37s/it] 929it [21:29, 1.37s/it] 930it [21:31, 1.37s/it] 931it [21:32, 1.38s/it] 932it [21:34, 1.39s/it] 933it [21:35, 1.39s/it] 934it [21:36, 1.40s/it] 935it [21:38, 1.41s/it] 936it [21:39, 1.41s/it] 937it [21:41, 1.42s/it] 938it [21:42, 1.42s/it] 939it [21:43, 1.40s/it] 940it [21:45, 1.39s/it] 941it [21:46, 1.38s/it] 942it [21:48, 1.38s/it] 943it [21:49, 1.38s/it] 944it [21:50, 1.39s/it] 945it [21:52, 1.39s/it] 946it [21:53, 1.38s/it] 947it [21:54, 1.39s/it] 948it [21:56, 1.40s/it] 949it [21:57, 1.40s/it] 950it [21:59, 1.40s/it] 951it [22:00, 1.39s/it] 952it [22:01, 1.38s/it] 953it [22:03, 1.38s/it] 954it [22:04, 1.37s/it] 955it [22:06, 1.38s/it] 956it [22:07, 1.38s/it] 957it [22:08, 1.37s/it] 958it [22:10, 1.37s/it] 959it [22:11, 1.38s/it] 960it [22:12, 1.38s/it] 961it [22:14, 1.39s/it] 962it [22:15, 1.39s/it] 963it [22:17, 1.40s/it] 964it [22:18, 1.41s/it] 965it [22:20, 1.41s/it] 966it [22:21, 1.41s/it] 967it [22:22, 1.41s/it] 968it [22:24, 1.40s/it] 969it [22:25, 1.39s/it] 970it [22:26, 1.39s/it] 971it [22:28, 1.39s/it] 972it [22:29, 1.38s/it] 973it [22:31, 1.39s/it] 974it [22:32, 1.39s/it] 975it [22:33, 1.38s/it] 976it [22:35, 1.39s/it] 977it [22:36, 1.39s/it] 978it [22:38, 1.39s/it] 979it [22:39, 1.40s/it] 980it [22:40, 1.38s/it] 981it [22:42, 1.38s/it] 982it [22:43, 1.37s/it] 983it [22:44, 1.37s/it] 984it [22:46, 1.37s/it] 985it [22:47, 1.37s/it] 986it [22:49, 1.37s/it] 987it [22:50, 1.36s/it] 988it [22:51, 1.38s/it] 989it [22:53, 1.38s/it] 990it [22:54, 1.38s/it] 991it [22:55, 1.38s/it] 992it [22:57, 1.39s/it] 993it [22:58, 1.39s/it] 994it [23:00, 1.40s/it] 995it [23:01, 1.40s/it] 996it [23:02, 1.39s/it] 997it [23:04, 1.39s/it] 998it [23:05, 1.38s/it] 999it [23:07, 1.37s/it] 1000it [23:08, 1.37s/it] 1000it [23:08, 1.39s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:49.041389 +⏰ Completed process in 0:23:09.008642 diff --git a/chunked/d4-dock_089.csv.gz b/chunked/d4-dock_089.csv.gz index 103c8f76ef4416007dfe1ccb32a5a54d66b74920..9d47d9058abd0c368d4bc795d0925177fa454e1b 100644 --- a/chunked/d4-dock_089.csv.gz +++ b/chunked/d4-dock_089.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:29e71e865db4fbb4ef7f232cc36db1e710e62efb9dbc6d2cc550014407a819fe -size 37002282 +oid sha256:9c84ef61f2b347a4948bd0f3891298feffce2e70c45d3ba3b91283debc732c0b +size 37002256 diff --git a/chunked/d4-dock_089.log b/chunked/d4-dock_089.log index 6d95e8b9805288af75f15c390acf510c2f32996e..ac711bb942c2e1e91e8f3e0e836d132c634bc8ca 100644 --- a/chunked/d4-dock_089.log +++ b/chunked/d4-dock_089.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.37s/it] 2it [00:02, 1.37s/it] 3it [00:04, 1.36s/it] 4it [00:05, 1.36s/it] 5it [00:06, 1.36s/it] 6it [00:08, 1.37s/it] 7it [00:09, 1.37s/it] 8it [00:10, 1.37s/it] 9it [00:12, 1.36s/it] 10it [00:13, 1.36s/it] 11it [00:14, 1.35s/it] 12it [00:16, 1.35s/it] 13it [00:17, 1.35s/it] 14it [00:19, 1.35s/it] 15it [00:20, 1.34s/it] 16it [00:21, 1.35s/it] 17it [00:23, 1.35s/it] 18it [00:24, 1.35s/it] 19it [00:25, 1.35s/it] 20it [00:27, 1.36s/it] 21it [00:28, 1.37s/it] 22it [00:29, 1.37s/it] 23it [00:31, 1.37s/it] 24it [00:32, 1.37s/it] 25it [00:33, 1.36s/it] 26it [00:35, 1.35s/it] 27it [00:36, 1.35s/it] 28it [00:37, 1.34s/it] 29it [00:39, 1.35s/it] 30it [00:40, 1.35s/it] 31it [00:42, 1.36s/it] 32it [00:43, 1.35s/it] 33it [00:44, 1.36s/it] 34it [00:46, 1.36s/it] 35it [00:47, 1.37s/it] 36it [00:48, 1.37s/it] 37it [00:50, 1.36s/it] 38it [00:51, 1.36s/it] 39it [00:52, 1.35s/it] 40it [00:54, 1.35s/it] 41it [00:55, 1.35s/it] 42it [00:56, 1.35s/it] 43it [00:58, 1.35s/it] 44it [00:59, 1.34s/it] 45it [01:01, 1.35s/it] 46it [01:02, 1.35s/it] 47it [01:03, 1.36s/it] 48it [01:05, 1.36s/it] 49it [01:06, 1.37s/it] 50it [01:07, 1.37s/it] 51it [01:09, 1.37s/it] 52it [01:10, 1.37s/it] 53it [01:12, 1.37s/it] 54it [01:13, 1.35s/it] 55it [01:14, 1.35s/it] 56it [01:16, 1.35s/it] 57it [01:17, 1.34s/it] 58it [01:18, 1.34s/it] 59it [01:20, 1.35s/it] 60it [01:21, 1.35s/it] 61it [01:22, 1.34s/it] 62it [01:24, 1.35s/it] 63it [01:25, 1.38s/it] 64it [01:26, 1.37s/it] 65it [01:28, 1.37s/it] 66it [01:29, 1.37s/it] 67it [01:30, 1.36s/it] 68it [01:32, 1.36s/it] 69it [01:33, 1.35s/it] 70it [01:34, 1.34s/it] 71it [01:36, 1.35s/it] 72it [01:37, 1.35s/it] 73it [01:39, 1.34s/it] 74it [01:40, 1.35s/it] 75it [01:41, 1.35s/it] 76it [01:43, 1.36s/it] 77it [01:44, 1.36s/it] 78it [01:45, 1.37s/it] 79it [01:47, 1.37s/it] 80it [01:48, 1.37s/it] 81it [01:49, 1.37s/it] 82it [01:51, 1.37s/it] 83it [01:52, 1.36s/it] 84it [01:54, 1.36s/it] 85it [01:55, 1.35s/it] 86it [01:56, 1.35s/it] 87it [01:58, 1.35s/it] 88it [01:59, 1.36s/it] 89it [02:00, 1.36s/it] 90it [02:02, 1.35s/it] 91it [02:03, 1.36s/it] 92it [02:04, 1.37s/it] 93it [02:06, 1.37s/it] 94it [02:07, 1.36s/it] 95it [02:08, 1.35s/it] 96it [02:10, 1.35s/it] 97it [02:11, 1.35s/it] 98it [02:13, 1.35s/it] 99it [02:14, 1.35s/it] 100it [02:15, 1.35s/it] 101it [02:17, 1.34s/it] 102it [02:18, 1.35s/it] 103it [02:19, 1.35s/it] 104it [02:21, 1.35s/it] 105it [02:22, 1.35s/it] 106it [02:23, 1.36s/it] 107it [02:25, 1.37s/it] 108it [02:26, 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1.38s/it] 813it [19:00, 1.37s/it] 814it [19:01, 1.38s/it] 815it [19:02, 1.38s/it] 816it [19:04, 1.37s/it] 817it [19:05, 1.37s/it] 818it [19:06, 1.37s/it] 819it [19:08, 1.38s/it] 820it [19:09, 1.39s/it] 821it [19:11, 1.38s/it] 822it [19:12, 1.39s/it] 823it [19:13, 1.39s/it] 824it [19:15, 1.40s/it] 825it [19:16, 1.40s/it] 826it [19:18, 1.40s/it] 827it [19:19, 1.42s/it] 828it [19:20, 1.43s/it] 829it [19:22, 1.43s/it] 830it [19:23, 1.43s/it] 831it [19:25, 1.43s/it] 832it [19:26, 1.43s/it] 833it [19:28, 1.42s/it] 834it [19:29, 1.41s/it] 835it [19:30, 1.39s/it] 836it [19:32, 1.38s/it] 837it [19:33, 1.37s/it] 838it [19:34, 1.37s/it] 839it [19:36, 1.37s/it] 840it [19:37, 1.37s/it] 841it [19:39, 1.37s/it] 842it [19:40, 1.37s/it] 843it [19:41, 1.37s/it] 844it [19:43, 1.37s/it] 845it [19:44, 1.37s/it] 846it [19:45, 1.36s/it] 847it [19:47, 1.38s/it] 848it [19:48, 1.38s/it] 849it [19:50, 1.39s/it] 850it [19:51, 1.39s/it] 851it [19:52, 1.39s/it] 852it [19:54, 1.40s/it] 853it [19:55, 1.39s/it] 854it [19:57, 1.39s/it] 855it [19:58, 1.40s/it] 856it [19:59, 1.41s/it] 857it [20:01, 1.42s/it] 858it [20:02, 1.43s/it] 859it [20:04, 1.43s/it] 860it [20:05, 1.43s/it] 861it [20:07, 1.42s/it] 862it [20:08, 1.41s/it] 863it [20:09, 1.40s/it] 864it [20:11, 1.39s/it] 865it [20:12, 1.39s/it] 866it [20:13, 1.37s/it] 867it [20:15, 1.37s/it] 868it [20:16, 1.38s/it] 869it [20:17, 1.37s/it] 870it [20:19, 1.37s/it] 871it [20:20, 1.38s/it] 872it [20:22, 1.38s/it] 873it [20:23, 1.37s/it] 874it [20:24, 1.37s/it] 875it [20:26, 1.38s/it] 876it [20:27, 1.39s/it] 877it [20:29, 1.39s/it] 878it [20:30, 1.39s/it] 879it [20:31, 1.40s/it] 880it [20:33, 1.40s/it] 881it [20:34, 1.40s/it] 882it [20:36, 1.39s/it] 883it [20:37, 1.40s/it] 884it [20:38, 1.41s/it] 885it [20:40, 1.42s/it] 886it [20:41, 1.42s/it] 887it [20:43, 1.42s/it] 888it [20:44, 1.42s/it] 889it [20:46, 1.42s/it] 890it [20:47, 1.42s/it] 891it [20:48, 1.40s/it] 892it [20:50, 1.40s/it] 893it [20:51, 1.39s/it] 894it [20:52, 1.38s/it] 895it [20:54, 1.37s/it] 896it [20:55, 1.38s/it] 897it [20:57, 1.38s/it] 898it [20:58, 1.38s/it] 899it [20:59, 1.39s/it] 900it [21:01, 1.39s/it] 901it [21:02, 1.39s/it] 902it [21:03, 1.38s/it] 903it [21:05, 1.38s/it] 904it [21:06, 1.39s/it] 905it [21:08, 1.40s/it] 906it [21:09, 1.40s/it] 907it [21:11, 1.40s/it] 908it [21:12, 1.41s/it] 909it [21:13, 1.40s/it] 910it [21:15, 1.41s/it] 911it [21:16, 1.42s/it] 912it [21:18, 1.42s/it] 913it [21:19, 1.43s/it] 914it [21:21, 1.43s/it] 915it [21:22, 1.45s/it] 916it [21:23, 1.46s/it] 917it [21:25, 1.46s/it] 918it [21:26, 1.46s/it] 919it [21:28, 1.46s/it] 920it [21:29, 1.45s/it] 921it [21:31, 1.43s/it] 922it [21:32, 1.42s/it] 923it [21:33, 1.41s/it] 924it [21:35, 1.41s/it] 925it [21:36, 1.40s/it] 926it [21:38, 1.40s/it] 927it [21:39, 1.39s/it] 928it [21:40, 1.39s/it] 929it [21:42, 1.38s/it] 930it [21:43, 1.39s/it] 931it [21:45, 1.39s/it] 932it [21:46, 1.39s/it] 933it [21:47, 1.39s/it] 934it [21:49, 1.39s/it] 935it [21:50, 1.40s/it] 936it [21:52, 1.40s/it] 937it [21:53, 1.40s/it] 938it [21:54, 1.40s/it] 939it [21:56, 1.41s/it] 940it [21:57, 1.41s/it] 941it [21:59, 1.41s/it] 942it [22:00, 1.42s/it] 943it [22:01, 1.42s/it] 944it [22:03, 1.43s/it] 945it [22:04, 1.44s/it] 946it [22:06, 1.45s/it] 947it [22:07, 1.45s/it] 948it [22:09, 1.44s/it] 949it [22:10, 1.43s/it] 950it [22:12, 1.42s/it] 951it [22:13, 1.41s/it] 952it [22:14, 1.39s/it] 953it [22:16, 1.40s/it] 954it [22:17, 1.39s/it] 955it [22:18, 1.39s/it] 956it [22:20, 1.39s/it] 957it [22:21, 1.38s/it] 958it [22:23, 1.38s/it] 959it [22:24, 1.38s/it] 960it [22:25, 1.39s/it] 961it [22:27, 1.39s/it] 962it [22:28, 1.39s/it] 963it [22:30, 1.39s/it] 964it [22:31, 1.40s/it] 965it [22:32, 1.40s/it] 966it [22:34, 1.39s/it] 967it [22:35, 1.39s/it] 968it [22:36, 1.39s/it] 969it [22:38, 1.39s/it] 970it [22:39, 1.39s/it] 971it [22:41, 1.39s/it] 972it [22:42, 1.39s/it] 973it [22:44, 1.41s/it] 974it [22:45, 1.42s/it] 975it [22:46, 1.43s/it] 976it [22:48, 1.43s/it] 977it [22:49, 1.44s/it] 978it [22:51, 1.44s/it] 979it [22:52, 1.42s/it] 980it [22:54, 1.42s/it] 981it [22:55, 1.41s/it] 982it [22:56, 1.39s/it] 983it [22:58, 1.39s/it] 984it [22:59, 1.39s/it] 985it [23:00, 1.39s/it] 986it [23:02, 1.38s/it] 987it [23:03, 1.39s/it] 988it [23:05, 1.39s/it] 989it [23:06, 1.38s/it] 990it [23:07, 1.38s/it] 991it [23:09, 1.39s/it] 992it [23:10, 1.38s/it] 993it [23:12, 1.39s/it] 994it [23:13, 1.39s/it] 995it [23:14, 1.40s/it] 996it [23:16, 1.40s/it] 997it [23:17, 1.40s/it] 998it [23:19, 1.41s/it] 999it [23:20, 1.43s/it] 1000it [23:22, 1.44s/it] 1000it [23:22, 1.40s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:41.780075 +⏰ Completed process in 0:23:22.621626 diff --git a/chunked/d4-dock_090.csv.gz b/chunked/d4-dock_090.csv.gz index 8b4c04226a25e9c2400ed0a7bd6692859ae4bc8d..f1cff2330f5199731e8f05c669b4db666b5d8a7f 100644 --- a/chunked/d4-dock_090.csv.gz +++ b/chunked/d4-dock_090.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:b1413e1166f96a0dcac4184d30d6c5ea9c49a092d2c107666dce45007b166aee -size 36931778 +oid sha256:ebe4a403842ca9db1331ecb53bba90880dd909c9657ad5c78986174b0fb53d1b +size 36931826 diff --git a/chunked/d4-dock_090.log b/chunked/d4-dock_090.log index e390ad6716bd2da55f2db6ca5ab8eca851ab8724..c788a397a0c00f3f90cd10df594c2d9d39b6fb46 100644 --- a/chunked/d4-dock_090.log +++ b/chunked/d4-dock_090.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.37s/it] 2it [00:02, 1.36s/it] 3it [00:04, 1.35s/it] 4it [00:05, 1.33s/it] 5it [00:06, 1.32s/it] 6it [00:07, 1.32s/it] 7it [00:09, 1.33s/it] 8it [00:10, 1.33s/it] 9it [00:11, 1.32s/it] 10it [00:13, 1.33s/it] 11it [00:14, 1.33s/it] 12it [00:16, 1.34s/it] 13it [00:17, 1.35s/it] 14it [00:18, 1.35s/it] 15it [00:20, 1.35s/it] 16it [00:21, 1.36s/it] 17it [00:22, 1.37s/it] 18it [00:24, 1.37s/it] 19it [00:25, 1.36s/it] 20it [00:26, 1.35s/it] 21it [00:28, 1.34s/it] 22it [00:29, 1.33s/it] 23it [00:30, 1.33s/it] 24it [00:32, 1.33s/it] 25it [00:33, 1.34s/it] 26it [00:34, 1.34s/it] 27it [00:36, 1.35s/it] 28it [00:37, 1.35s/it] 29it [00:38, 1.35s/it] 30it [00:40, 1.37s/it] 31it [00:41, 1.37s/it] 32it [00:43, 1.37s/it] 33it [00:44, 1.36s/it] 34it [00:45, 1.35s/it] 35it [00:47, 1.34s/it] 36it [00:48, 1.33s/it] 37it [00:49, 1.33s/it] 38it [00:51, 1.33s/it] 39it [00:52, 1.32s/it] 40it [00:53, 1.33s/it] 41it [00:55, 1.34s/it] 42it [00:56, 1.34s/it] 43it [00:57, 1.35s/it] 44it [00:59, 1.36s/it] 45it [01:00, 1.37s/it] 46it [01:01, 1.37s/it] 47it [01:03, 1.36s/it] 48it [01:04, 1.35s/it] 49it [01:05, 1.33s/it] 50it [01:07, 1.33s/it] 51it [01:08, 1.33s/it] 52it [01:09, 1.33s/it] 53it [01:11, 1.33s/it] 54it [01:12, 1.34s/it] 55it [01:13, 1.34s/it] 56it [01:15, 1.35s/it] 57it [01:16, 1.36s/it] 58it [01:18, 1.37s/it] 59it [01:19, 1.38s/it] 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1.43s/it] 890it [20:38, 1.41s/it] 891it [20:40, 1.40s/it] 892it [20:41, 1.39s/it] 893it [20:42, 1.38s/it] 894it [20:44, 1.37s/it] 895it [20:45, 1.37s/it] 896it [20:46, 1.37s/it] 897it [20:48, 1.38s/it] 898it [20:49, 1.38s/it] 899it [20:51, 1.39s/it] 900it [20:52, 1.38s/it] 901it [20:53, 1.43s/it] 902it [20:55, 1.46s/it] 903it [20:56, 1.43s/it] 904it [20:58, 1.42s/it] 905it [20:59, 1.41s/it] 906it [21:01, 1.41s/it] 907it [21:02, 1.39s/it] 908it [21:03, 1.37s/it] 909it [21:05, 1.36s/it] 910it [21:06, 1.36s/it] 911it [21:07, 1.37s/it] 912it [21:09, 1.39s/it] 913it [21:10, 1.39s/it] 914it [21:12, 1.39s/it] 915it [21:13, 1.38s/it] 916it [21:14, 1.36s/it] 917it [21:16, 1.35s/it] 918it [21:17, 1.35s/it] 919it [21:18, 1.34s/it] 920it [21:19, 1.34s/it] 921it [21:21, 1.34s/it] 922it [21:22, 1.34s/it] 923it [21:24, 1.35s/it] 924it [21:25, 1.36s/it] 925it [21:26, 1.37s/it] 926it [21:28, 1.38s/it] 927it [21:29, 1.38s/it] 928it [21:31, 1.39s/it] 929it [21:32, 1.38s/it] 930it [21:33, 1.36s/it] 931it [21:35, 1.35s/it] 932it [21:36, 1.34s/it] 933it [21:37, 1.34s/it] 934it [21:38, 1.34s/it] 935it [21:40, 1.34s/it] 936it [21:41, 1.35s/it] 937it [21:43, 1.36s/it] 938it [21:44, 1.36s/it] 939it [21:45, 1.36s/it] 940it [21:47, 1.36s/it] 941it [21:48, 1.38s/it] 942it [21:50, 1.39s/it] 943it [21:51, 1.39s/it] 944it [21:52, 1.37s/it] 945it [21:54, 1.37s/it] 946it [21:55, 1.37s/it] 947it [21:56, 1.41s/it] 948it [21:58, 1.44s/it] 949it [21:59, 1.42s/it] 950it [22:01, 1.41s/it] 951it [22:02, 1.41s/it] 952it [22:04, 1.41s/it] 953it [22:05, 1.44s/it] 954it [22:07, 1.46s/it] 955it [22:08, 1.48s/it] 956it [22:10, 1.50s/it] 957it [22:11, 1.51s/it] 958it [22:13, 1.51s/it] 959it [22:14, 1.50s/it] 960it [22:16, 1.48s/it] 961it [22:17, 1.48s/it] 962it [22:19, 1.48s/it] 963it [22:20, 1.48s/it] 964it [22:21, 1.48s/it] 965it [22:23, 1.48s/it] 966it [22:24, 1.49s/it] 967it [22:26, 1.49s/it] 968it [22:27, 1.49s/it] 969it [22:29, 1.49s/it] 970it [22:30, 1.50s/it] 971it [22:32, 1.51s/it] 972it [22:34, 1.51s/it] 973it [22:35, 1.48s/it] 974it [22:36, 1.44s/it] 975it [22:38, 1.42s/it] 976it [22:39, 1.41s/it] 977it [22:40, 1.39s/it] 978it [22:42, 1.36s/it] 979it [22:43, 1.35s/it] 980it [22:44, 1.35s/it] 981it [22:46, 1.36s/it] 982it [22:47, 1.37s/it] 983it [22:48, 1.37s/it] 984it [22:50, 1.39s/it] 985it [22:51, 1.39s/it] 986it [22:53, 1.39s/it] 987it [22:54, 1.38s/it] 988it [22:55, 1.37s/it] 989it [22:57, 1.36s/it] 990it [22:58, 1.36s/it] 991it [22:59, 1.36s/it] 992it [23:01, 1.35s/it] 993it [23:02, 1.36s/it] 994it [23:04, 1.37s/it] 995it [23:05, 1.37s/it] 996it [23:06, 1.38s/it] 997it [23:08, 1.39s/it] 998it [23:09, 1.40s/it] 999it [23:11, 1.41s/it] 1000it [23:12, 1.44s/it] 1000it [23:12, 1.39s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:42.034020 +⏰ Completed process in 0:23:13.148796 diff --git a/chunked/d4-dock_091.csv.gz b/chunked/d4-dock_091.csv.gz index 99550d74358934a3ae37578f7f51898e0880a0aa..805caf4301d434dc9753ce1119c907e634f3845f 100644 --- a/chunked/d4-dock_091.csv.gz +++ b/chunked/d4-dock_091.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:1fce08ec5a1c2012b60740b5613a63e5d2fc529dbc6445585ca31eae163e9d3b -size 31885035 +oid sha256:9ebbd893472735a15a6858ca33150bb558bc0e95ecd6e30ff7a0139ae5314f22 +size 31885004 diff --git a/chunked/d4-dock_091.log b/chunked/d4-dock_091.log index f7eeb780804c8caa31cbb1a9b427e9abffe7008a..c5cf829a794c59ed94e58276889e1cc7ebf2279e 100644 --- a/chunked/d4-dock_091.log +++ b/chunked/d4-dock_091.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.34s/it] 2it [00:02, 1.33s/it] 3it [00:04, 1.34s/it] 4it [00:05, 1.34s/it] 5it [00:06, 1.33s/it] 6it [00:07, 1.33s/it] 7it [00:09, 1.34s/it] 8it [00:10, 1.34s/it] 9it [00:12, 1.35s/it] 10it [00:13, 1.35s/it] 11it [00:14, 1.30s/it] 12it [00:15, 1.30s/it] 13it [00:17, 1.30s/it] 14it [00:18, 1.30s/it] 15it [00:19, 1.30s/it] 16it [00:21, 1.31s/it] 17it [00:22, 1.31s/it] 18it [00:23, 1.31s/it] 19it [00:25, 1.31s/it] 20it [00:26, 1.31s/it] 21it [00:27, 1.31s/it] 22it [00:29, 1.32s/it] 23it [00:30, 1.33s/it] 24it [00:31, 1.35s/it] 25it [00:33, 1.36s/it] 26it [00:34, 1.38s/it] 27it [00:36, 1.40s/it] 28it [00:37, 1.39s/it] 29it [00:38, 1.36s/it] 30it [00:40, 1.35s/it] 31it [00:41, 1.35s/it] 32it [00:42, 1.34s/it] 33it [00:44, 1.33s/it] 34it [00:45, 1.32s/it] 35it [00:46, 1.33s/it] 36it [00:47, 1.32s/it] 37it [00:49, 1.34s/it] 38it [00:50, 1.35s/it] 39it [00:52, 1.35s/it] 40it [00:53, 1.36s/it] 41it [00:54, 1.36s/it] 42it [00:56, 1.37s/it] 43it [00:57, 1.37s/it] 44it [00:58, 1.38s/it] 45it [01:00, 1.37s/it] 46it [01:01, 1.35s/it] 47it [01:02, 1.34s/it] 48it [01:04, 1.32s/it] 49it [01:05, 1.32s/it] 50it [01:06, 1.31s/it] 51it [01:08, 1.30s/it] 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1.27s/it] 717it [15:34, 1.28s/it] 718it [15:35, 1.28s/it] 719it [15:36, 1.27s/it] 720it [15:38, 1.27s/it] 721it [15:39, 1.28s/it] 722it [15:40, 1.28s/it] 723it [15:41, 1.28s/it] 724it [15:43, 1.27s/it] 725it [15:44, 1.26s/it] 726it [15:45, 1.24s/it] 727it [15:46, 1.23s/it] 728it [15:48, 1.24s/it] 729it [15:49, 1.24s/it] 730it [15:50, 1.24s/it] 731it [15:51, 1.25s/it] 732it [15:53, 1.27s/it] 733it [15:54, 1.28s/it] 734it [15:55, 1.29s/it] 735it [15:57, 1.30s/it] 736it [15:58, 1.30s/it] 737it [15:59, 1.30s/it] 738it [16:01, 1.31s/it] 739it [16:02, 1.31s/it] 740it [16:03, 1.32s/it] 741it [16:04, 1.31s/it] 742it [16:06, 1.32s/it] 743it [16:07, 1.31s/it] 744it [16:08, 1.31s/it] 745it [16:10, 1.31s/it] 746it [16:11, 1.31s/it] 747it [16:12, 1.31s/it] 748it [16:14, 1.30s/it] 749it [16:15, 1.29s/it] 750it [16:16, 1.30s/it] 751it [16:17, 1.29s/it] 752it [16:19, 1.29s/it] 753it [16:20, 1.30s/it] 754it [16:21, 1.29s/it] 755it [16:23, 1.28s/it] 756it [16:24, 1.28s/it] 757it [16:25, 1.27s/it] 758it 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[20:02, 1.34s/it] 925it [20:03, 1.35s/it] 926it [20:04, 1.35s/it] 927it [20:06, 1.34s/it] 928it [20:07, 1.34s/it] 929it [20:08, 1.35s/it] 930it [20:10, 1.34s/it] 931it [20:11, 1.31s/it] 932it [20:12, 1.29s/it] 933it [20:13, 1.29s/it] 934it [20:15, 1.28s/it] 935it [20:16, 1.27s/it] 936it [20:17, 1.27s/it] 937it [20:18, 1.26s/it] 938it [20:20, 1.27s/it] 939it [20:21, 1.27s/it] 940it [20:22, 1.28s/it] 941it [20:24, 1.29s/it] 942it [20:25, 1.28s/it] 943it [20:26, 1.28s/it] 944it [20:27, 1.29s/it] 945it [20:29, 1.30s/it] 946it [20:30, 1.30s/it] 947it [20:31, 1.31s/it] 948it [20:33, 1.30s/it] 949it [20:34, 1.31s/it] 950it [20:35, 1.32s/it] 951it [20:37, 1.31s/it] 952it [20:38, 1.30s/it] 953it [20:39, 1.30s/it] 954it [20:40, 1.29s/it] 955it [20:42, 1.30s/it] 956it [20:43, 1.32s/it] 957it [20:44, 1.32s/it] 958it [20:46, 1.32s/it] 959it [20:47, 1.33s/it] 960it [20:48, 1.32s/it] 961it [20:50, 1.33s/it] 962it [20:51, 1.33s/it] 963it [20:52, 1.33s/it] 964it [20:54, 1.32s/it] 965it [20:55, 1.31s/it] 966it [20:56, 1.32s/it] 967it [20:58, 1.31s/it] 968it [20:59, 1.29s/it] 969it [21:00, 1.29s/it] 970it [21:01, 1.28s/it] 971it [21:03, 1.28s/it] 972it [21:04, 1.29s/it] 973it [21:05, 1.31s/it] 974it [21:07, 1.32s/it] 975it [21:08, 1.34s/it] 976it [21:10, 1.35s/it] 977it [21:11, 1.35s/it] 978it [21:12, 1.35s/it] 979it [21:14, 1.35s/it] 980it [21:15, 1.34s/it] 981it [21:16, 1.34s/it] 982it [21:18, 1.33s/it] 983it [21:19, 1.32s/it] 984it [21:20, 1.33s/it] 985it [21:21, 1.32s/it] 986it [21:23, 1.32s/it] 987it [21:24, 1.34s/it] 988it [21:26, 1.33s/it] 989it [21:27, 1.33s/it] 990it [21:28, 1.33s/it] 991it [21:29, 1.31s/it] 992it [21:31, 1.32s/it] 993it [21:32, 1.32s/it] 994it [21:33, 1.31s/it] 995it [21:35, 1.31s/it] 996it [21:36, 1.31s/it] 997it [21:37, 1.33s/it] 998it [21:39, 1.33s/it] 999it [21:40, 1.32s/it] 1000it [21:41, 1.32s/it] 1000it [21:41, 1.30s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:11.881515 +⏰ Completed process in 0:21:42.479949 diff --git a/chunked/d4-dock_092.csv.gz b/chunked/d4-dock_092.csv.gz index 12951a9592d44a9284d0ea2187e6b50132a836fe..d389febda439ab2f555b448683af96d027bf1ce1 100644 --- a/chunked/d4-dock_092.csv.gz +++ b/chunked/d4-dock_092.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:10da0f9d907d55c76ad97ff5499c8b0270405828a50fccee2e434c3eaee5df0c -size 31166170 +oid sha256:a4e348dded657906f7ed38ce52dd495754753bc2407f9f1c9824e73096a1a1ee +size 31166178 diff --git a/chunked/d4-dock_092.log b/chunked/d4-dock_092.log index a09edd5bd984b023383a97f6d0546a80216d3f32..3fa3c153541ab0773b1d4324f41c0231826bb66f 100644 --- a/chunked/d4-dock_092.log +++ b/chunked/d4-dock_092.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.38s/it] 2it [00:02, 1.35s/it] 3it [00:04, 1.33s/it] 4it [00:05, 1.33s/it] 5it [00:06, 1.33s/it] 6it [00:07, 1.31s/it] 7it [00:09, 1.32s/it] 8it [00:10, 1.32s/it] 9it [00:11, 1.33s/it] 10it [00:13, 1.33s/it] 11it [00:14, 1.33s/it] 12it [00:15, 1.32s/it] 13it [00:17, 1.32s/it] 14it [00:18, 1.32s/it] 15it [00:19, 1.32s/it] 16it [00:21, 1.32s/it] 17it [00:22, 1.31s/it] 18it [00:23, 1.30s/it] 19it [00:25, 1.30s/it] 20it [00:26, 1.30s/it] 21it [00:27, 1.31s/it] 22it [00:29, 1.31s/it] 23it [00:30, 1.32s/it] 24it [00:31, 1.32s/it] 25it [00:33, 1.33s/it] 26it [00:34, 1.35s/it] 27it [00:35, 1.34s/it] 28it [00:37, 1.34s/it] 29it [00:38, 1.34s/it] 30it [00:39, 1.35s/it] 31it [00:41, 1.35s/it] 32it [00:42, 1.36s/it] 33it [00:43, 1.35s/it] 34it [00:45, 1.34s/it] 35it [00:46, 1.34s/it] 36it [00:47, 1.35s/it] 37it [00:49, 1.35s/it] 38it [00:50, 1.36s/it] 39it [00:51, 1.36s/it] 40it [00:53, 1.36s/it] 41it [00:54, 1.35s/it] 42it [00:55, 1.34s/it] 43it [00:57, 1.33s/it] 44it [00:58, 1.33s/it] 45it [00:59, 1.33s/it] 46it [01:01, 1.34s/it] 47it 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1.27s/it] 920it [19:16, 1.27s/it] 921it [19:18, 1.26s/it] 922it [19:19, 1.26s/it] 923it [19:20, 1.26s/it] 924it [19:21, 1.25s/it] 925it [19:22, 1.25s/it] 926it [19:24, 1.25s/it] 927it [19:25, 1.25s/it] 928it [19:26, 1.25s/it] 929it [19:27, 1.25s/it] 930it [19:29, 1.25s/it] 931it [19:30, 1.25s/it] 932it [19:31, 1.25s/it] 933it [19:32, 1.25s/it] 934it [19:34, 1.24s/it] 935it [19:35, 1.25s/it] 936it [19:36, 1.25s/it] 937it [19:37, 1.25s/it] 938it [19:39, 1.25s/it] 939it [19:40, 1.24s/it] 940it [19:41, 1.24s/it] 941it [19:42, 1.24s/it] 942it [19:44, 1.24s/it] 943it [19:45, 1.25s/it] 944it [19:46, 1.25s/it] 945it [19:47, 1.25s/it] 946it [19:49, 1.25s/it] 947it [19:50, 1.26s/it] 948it [19:51, 1.26s/it] 949it [19:52, 1.24s/it] 950it [19:54, 1.25s/it] 951it [19:55, 1.26s/it] 952it [19:56, 1.26s/it] 953it [19:58, 1.26s/it] 954it [19:59, 1.25s/it] 955it [20:00, 1.24s/it] 956it [20:01, 1.23s/it] 957it [20:02, 1.22s/it] 958it [20:04, 1.21s/it] 959it [20:05, 1.20s/it] 960it [20:06, 1.21s/it] 961it [20:07, 1.20s/it] 962it [20:08, 1.20s/it] 963it [20:10, 1.20s/it] 964it [20:11, 1.20s/it] 965it [20:12, 1.19s/it] 966it [20:13, 1.18s/it] 967it [20:14, 1.18s/it] 968it [20:15, 1.17s/it] 969it [20:17, 1.18s/it] 970it [20:18, 1.19s/it] 971it [20:19, 1.19s/it] 972it [20:20, 1.21s/it] 973it [20:21, 1.21s/it] 974it [20:23, 1.21s/it] 975it [20:24, 1.21s/it] 976it [20:25, 1.22s/it] 977it [20:26, 1.22s/it] 978it [20:28, 1.21s/it] 979it [20:29, 1.20s/it] 980it [20:30, 1.20s/it] 981it [20:31, 1.21s/it] 982it [20:32, 1.21s/it] 983it [20:34, 1.20s/it] 984it [20:35, 1.19s/it] 985it [20:36, 1.19s/it] 986it [20:37, 1.20s/it] 987it [20:38, 1.21s/it] 988it [20:40, 1.22s/it] 989it [20:41, 1.22s/it] 990it [20:42, 1.22s/it] 991it [20:43, 1.22s/it] 992it [20:45, 1.23s/it] 993it [20:46, 1.23s/it] 994it [20:47, 1.23s/it] 995it [20:48, 1.24s/it] 996it [20:49, 1.25s/it] 997it [20:51, 1.25s/it] 998it [20:52, 1.26s/it] 999it [20:53, 1.27s/it] 1000it [20:55, 1.28s/it] 1000it [20:55, 1.26s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:21:46.383430 +⏰ Completed process in 0:20:55.674650 diff --git a/chunked/d4-dock_093.csv.gz b/chunked/d4-dock_093.csv.gz index f7fcd007cc9b5d79bc8b9cda64f06700f21a22a7..c13e527ba301b2dfe3f2a0d7d48a426dd575b028 100644 --- a/chunked/d4-dock_093.csv.gz +++ b/chunked/d4-dock_093.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:9c3af166c26de3729cc44650e7ef723bdd6eb4b3738e14c0b987a64b2cbd21ff -size 31201831 +oid sha256:6470e801d662abb651202066bc2019f5a194a3cd66eb5296e731d776ae869664 +size 31201844 diff --git a/chunked/d4-dock_093.log b/chunked/d4-dock_093.log index fdfa2e68d3683aa77c6ee3a473f787dad9cd4e70..c3b2ec34eeea434deb4ef7fbf46d5dfda42d3fac 100644 --- a/chunked/d4-dock_093.log +++ b/chunked/d4-dock_093.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.30s/it] 2it [00:02, 1.28s/it] 3it [00:03, 1.30s/it] 4it [00:05, 1.30s/it] 5it [00:06, 1.29s/it] 6it [00:07, 1.29s/it] 7it [00:09, 1.29s/it] 8it [00:10, 1.28s/it] 9it [00:11, 1.28s/it] 10it [00:12, 1.28s/it] 11it [00:14, 1.28s/it] 12it [00:15, 1.28s/it] 13it [00:16, 1.28s/it] 14it [00:17, 1.28s/it] 15it [00:19, 1.29s/it] 16it [00:20, 1.29s/it] 17it [00:21, 1.29s/it] 18it [00:23, 1.29s/it] 19it [00:24, 1.29s/it] 20it [00:25, 1.29s/it] 21it [00:27, 1.30s/it] 22it [00:28, 1.31s/it] 23it [00:29, 1.31s/it] 24it [00:31, 1.32s/it] 25it [00:32, 1.33s/it] 26it [00:33, 1.32s/it] 27it [00:34, 1.31s/it] 28it [00:36, 1.31s/it] 29it [00:37, 1.30s/it] 30it [00:38, 1.29s/it] 31it [00:40, 1.29s/it] 32it [00:41, 1.29s/it] 33it [00:42, 1.28s/it] 34it [00:43, 1.27s/it] 35it [00:45, 1.27s/it] 36it [00:46, 1.26s/it] 37it [00:47, 1.26s/it] 38it [00:48, 1.25s/it] 39it [00:50, 1.26s/it] 40it [00:51, 1.27s/it] 41it [00:52, 1.27s/it] 42it [00:54, 1.27s/it] 43it [00:55, 1.27s/it] 44it [00:56, 1.27s/it] 45it [00:57, 1.28s/it] 46it [00:59, 1.28s/it] 47it [01:00, 1.30s/it] 48it [01:01, 1.30s/it] 49it [01:03, 1.29s/it] 50it [01:04, 1.29s/it] 51it [01:05, 1.28s/it] 52it [01:06, 1.28s/it] 53it [01:08, 1.28s/it] 54it [01:09, 1.27s/it] 55it [01:10, 1.27s/it] 56it [01:11, 1.27s/it] 57it [01:13, 1.27s/it] 58it [01:14, 1.27s/it] 59it [01:15, 1.26s/it] 60it [01:17, 1.27s/it] 61it [01:18, 1.27s/it] 62it [01:19, 1.27s/it] 63it [01:20, 1.28s/it] 64it [01:22, 1.28s/it] 65it [01:23, 1.29s/it] 66it [01:24, 1.29s/it] 67it [01:26, 1.29s/it] 68it [01:27, 1.29s/it] 69it [01:28, 1.29s/it] 70it [01:29, 1.28s/it] 71it [01:31, 1.27s/it] 72it [01:32, 1.26s/it] 73it [01:33, 1.27s/it] 74it [01:34, 1.28s/it] 75it [01:36, 1.29s/it] 76it [01:37, 1.29s/it] 77it [01:38, 1.29s/it] 78it [01:40, 1.29s/it] 79it [01:41, 1.30s/it] 80it [01:42, 1.31s/it] 81it [01:44, 1.32s/it] 82it [01:45, 1.32s/it] 83it [01:46, 1.32s/it] 84it [01:48, 1.32s/it] 85it [01:49, 1.30s/it] 86it [01:50, 1.31s/it] 87it [01:52, 1.31s/it] 88it [01:53, 1.30s/it] 89it [01:54, 1.27s/it] 90it [01:55, 1.25s/it] 91it [01:56, 1.24s/it] 92it [01:58, 1.25s/it] 93it [01:59, 1.27s/it] 94it [02:00, 1.28s/it] 95it [02:02, 1.28s/it] 96it [02:03, 1.28s/it] 97it [02:04, 1.28s/it] 98it [02:05, 1.28s/it] 99it [02:07, 1.29s/it] 100it [02:08, 1.30s/it] 101it [02:09, 1.29s/it] 102it [02:11, 1.28s/it] 103it [02:12, 1.27s/it] 104it [02:13, 1.27s/it] 105it [02:14, 1.26s/it] 106it [02:16, 1.27s/it] 107it [02:17, 1.27s/it] 108it [02:18, 1.27s/it] 109it [02:19, 1.28s/it] 110it [02:21, 1.28s/it] 111it [02:22, 1.28s/it] 112it [02:23, 1.29s/it] 113it [02:25, 1.30s/it] 114it [02:26, 1.30s/it] 115it [02:27, 1.30s/it] 116it [02:29, 1.30s/it] 117it [02:30, 1.30s/it] 118it [02:31, 1.31s/it] 119it [02:33, 1.31s/it] 120it [02:34, 1.31s/it] 121it [02:35, 1.31s/it] 122it [02:36, 1.30s/it] 123it [02:38, 1.29s/it] 124it [02:39, 1.30s/it] 125it [02:40, 1.30s/it] 126it [02:42, 1.31s/it] 127it [02:43, 1.31s/it] 128it [02:44, 1.31s/it] 129it [02:46, 1.31s/it] 130it [02:47, 1.30s/it] 131it [02:48, 1.30s/it] 132it [02:49, 1.29s/it] 133it [02:51, 1.28s/it] 134it [02:52, 1.29s/it] 135it [02:53, 1.29s/it] 136it [02:55, 1.29s/it] 137it [02:56, 1.28s/it] 138it [02:57, 1.28s/it] 139it [02:58, 1.28s/it] 140it [03:00, 1.28s/it] 141it [03:01, 1.30s/it] 142it [03:02, 1.29s/it] 143it [03:03, 1.28s/it] 144it [03:05, 1.29s/it] 145it [03:06, 1.29s/it] 146it [03:07, 1.29s/it] 147it [03:09, 1.30s/it] 148it [03:10, 1.29s/it] 149it [03:11, 1.29s/it] 150it [03:13, 1.30s/it] 151it [03:14, 1.30s/it] 152it [03:15, 1.30s/it] 153it [03:16, 1.30s/it] 154it [03:18, 1.30s/it] 155it [03:19, 1.31s/it] 156it [03:20, 1.31s/it] 157it [03:22, 1.30s/it] 158it [03:23, 1.29s/it] 159it [03:24, 1.31s/it] 160it [03:26, 1.31s/it] 161it [03:27, 1.32s/it] 162it [03:28, 1.32s/it] 163it [03:30, 1.31s/it] 164it [03:31, 1.29s/it] 165it [03:32, 1.28s/it] 166it [03:33, 1.27s/it] 167it [03:35, 1.28s/it] 168it [03:36, 1.28s/it] 169it [03:37, 1.29s/it] 170it [03:39, 1.29s/it] 171it [03:40, 1.29s/it] 172it [03:41, 1.27s/it] 173it [03:42, 1.26s/it] 174it [03:43, 1.24s/it] 175it [03:45, 1.24s/it] 176it [03:46, 1.24s/it] 177it [03:47, 1.24s/it] 178it [03:48, 1.23s/it] 179it [03:50, 1.23s/it] 180it [03:51, 1.23s/it] 181it [03:52, 1.24s/it] 182it [03:53, 1.23s/it] 183it [03:55, 1.24s/it] 184it [03:56, 1.24s/it] 185it [03:57, 1.25s/it] 186it [03:58, 1.25s/it] 187it [04:00, 1.26s/it] 188it [04:01, 1.26s/it] 189it [04:02, 1.26s/it] 190it [04:03, 1.26s/it] 191it [04:05, 1.25s/it] 192it [04:06, 1.26s/it] 193it [04:07, 1.26s/it] 194it [04:08, 1.26s/it] 195it [04:10, 1.25s/it] 196it [04:11, 1.25s/it] 197it [04:12, 1.25s/it] 198it [04:13, 1.26s/it] 199it [04:15, 1.26s/it] 200it [04:16, 1.27s/it] 201it [04:17, 1.27s/it] 202it [04:19, 1.28s/it] 203it [04:20, 1.28s/it] 204it [04:21, 1.28s/it] 205it [04:22, 1.27s/it] 206it [04:24, 1.27s/it] 207it [04:25, 1.28s/it] 208it [04:26, 1.27s/it] 209it [04:27, 1.27s/it] 210it [04:29, 1.27s/it] 211it 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1.32s/it] 791it [17:34, 1.31s/it] 792it [17:35, 1.31s/it] 793it [17:37, 1.33s/it] 794it [17:38, 1.34s/it] 795it [17:40, 1.34s/it] 796it [17:41, 1.35s/it] 797it [17:42, 1.35s/it] 798it [17:44, 1.34s/it] 799it [17:45, 1.35s/it] 800it [17:46, 1.34s/it] 801it [17:48, 1.35s/it] 802it [17:49, 1.35s/it] 803it [17:50, 1.35s/it] 804it [17:52, 1.34s/it] 805it [17:53, 1.34s/it] 806it [17:54, 1.34s/it] 807it [17:56, 1.33s/it] 808it [17:57, 1.33s/it] 809it [17:58, 1.32s/it] 810it [18:00, 1.33s/it] 811it [18:01, 1.34s/it] 812it [18:02, 1.34s/it] 813it [18:04, 1.34s/it] 814it [18:05, 1.33s/it] 815it [18:06, 1.33s/it] 816it [18:08, 1.34s/it] 817it [18:09, 1.35s/it] 818it [18:10, 1.35s/it] 819it [18:12, 1.34s/it] 820it [18:13, 1.35s/it] 821it [18:15, 1.36s/it] 822it [18:16, 1.37s/it] 823it [18:17, 1.38s/it] 824it [18:19, 1.38s/it] 825it [18:20, 1.39s/it] 826it [18:22, 1.40s/it] 827it [18:23, 1.41s/it] 828it [18:24, 1.40s/it] 829it [18:26, 1.40s/it] 830it [18:27, 1.40s/it] 831it [18:29, 1.40s/it] 832it 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[20:20, 1.30s/it] 916it [20:21, 1.31s/it] 917it [20:22, 1.32s/it] 918it [20:24, 1.31s/it] 919it [20:25, 1.30s/it] 920it [20:26, 1.31s/it] 921it [20:27, 1.31s/it] 922it [20:29, 1.32s/it] 923it [20:30, 1.31s/it] 924it [20:31, 1.31s/it] 925it [20:33, 1.30s/it] 926it [20:34, 1.30s/it] 927it [20:35, 1.30s/it] 928it [20:37, 1.31s/it] 929it [20:38, 1.31s/it] 930it [20:39, 1.31s/it] 931it [20:41, 1.31s/it] 932it [20:42, 1.31s/it] 933it [20:43, 1.30s/it] 934it [20:44, 1.31s/it] 935it [20:46, 1.30s/it] 936it [20:47, 1.28s/it] 937it [20:48, 1.29s/it] 938it [20:50, 1.29s/it] 939it [20:51, 1.29s/it] 940it [20:52, 1.31s/it] 941it [20:53, 1.30s/it] 942it [20:55, 1.29s/it] 943it [20:56, 1.29s/it] 944it [20:57, 1.29s/it] 945it [20:59, 1.29s/it] 946it [21:00, 1.29s/it] 947it [21:01, 1.29s/it] 948it [21:03, 1.29s/it] 949it [21:04, 1.30s/it] 950it [21:05, 1.31s/it] 951it [21:06, 1.29s/it] 952it [21:08, 1.30s/it] 953it [21:09, 1.30s/it] 954it [21:10, 1.28s/it] 955it [21:12, 1.29s/it] 956it [21:13, 1.29s/it] 957it [21:14, 1.30s/it] 958it [21:15, 1.30s/it] 959it [21:17, 1.30s/it] 960it [21:18, 1.31s/it] 961it [21:19, 1.31s/it] 962it [21:21, 1.32s/it] 963it [21:22, 1.30s/it] 964it [21:23, 1.29s/it] 965it [21:25, 1.30s/it] 966it [21:26, 1.30s/it] 967it [21:27, 1.30s/it] 968it [21:28, 1.29s/it] 969it [21:30, 1.28s/it] 970it [21:31, 1.28s/it] 971it [21:32, 1.28s/it] 972it [21:34, 1.29s/it] 973it [21:35, 1.29s/it] 974it [21:36, 1.30s/it] 975it [21:38, 1.30s/it] 976it [21:39, 1.29s/it] 977it [21:40, 1.28s/it] 978it [21:41, 1.28s/it] 979it [21:43, 1.28s/it] 980it [21:44, 1.28s/it] 981it [21:45, 1.29s/it] 982it [21:46, 1.29s/it] 983it [21:48, 1.29s/it] 984it [21:49, 1.27s/it] 985it [21:50, 1.27s/it] 986it [21:52, 1.28s/it] 987it [21:53, 1.29s/it] 988it [21:54, 1.29s/it] 989it [21:55, 1.30s/it] 990it [21:57, 1.29s/it] 991it [21:58, 1.29s/it] 992it [21:59, 1.29s/it] 993it [22:01, 1.27s/it] 994it [22:02, 1.28s/it] 995it [22:03, 1.29s/it] 996it [22:04, 1.29s/it] 997it [22:06, 1.28s/it] 998it [22:07, 1.27s/it] 999it [22:08, 1.28s/it] 1000it [22:10, 1.28s/it] 1000it [22:10, 1.33s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:21:58.895039 +⏰ Completed process in 0:22:10.647411 diff --git a/chunked/d4-dock_094.csv.gz b/chunked/d4-dock_094.csv.gz index bdb34e889ceb1a1c59133760180a5370cab9a390..c42bf49e0220813c30ebe02dac0674abf16e9885 100644 --- a/chunked/d4-dock_094.csv.gz +++ b/chunked/d4-dock_094.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:66fc43617b9c901fc68755b44078e37a3f870d8915e1f70bcd5d217e8ec8350f -size 31390729 +oid sha256:8482a6055c3c32e0396b77a9a7994ba0078aa6fe15ad298087b8816f6c093988 +size 31390733 diff --git a/chunked/d4-dock_094.log b/chunked/d4-dock_094.log index 3d32929727df2825c9393b36af943490235c66dd..67c39a3fe08a97155e8609de22ed55d83084536f 100644 --- a/chunked/d4-dock_094.log +++ b/chunked/d4-dock_094.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.34s/it] 2it [00:02, 1.28s/it] 3it [00:03, 1.27s/it] 4it [00:05, 1.28s/it] 5it [00:06, 1.29s/it] 6it [00:07, 1.26s/it] 7it [00:08, 1.26s/it] 8it [00:10, 1.27s/it] 9it [00:11, 1.29s/it] 10it [00:12, 1.31s/it] 11it [00:14, 1.29s/it] 12it [00:15, 1.29s/it] 13it [00:16, 1.30s/it] 14it [00:18, 1.32s/it] 15it [00:19, 1.33s/it] 16it [00:20, 1.33s/it] 17it [00:22, 1.33s/it] 18it [00:23, 1.33s/it] 19it [00:24, 1.32s/it] 20it [00:26, 1.32s/it] 21it [00:27, 1.32s/it] 22it [00:28, 1.31s/it] 23it [00:29, 1.31s/it] 24it [00:31, 1.31s/it] 25it [00:32, 1.30s/it] 26it [00:33, 1.31s/it] 27it [00:35, 1.33s/it] 28it [00:36, 1.32s/it] 29it [00:37, 1.33s/it] 30it [00:39, 1.30s/it] 31it [00:40, 1.29s/it] 32it [00:41, 1.27s/it] 33it [00:42, 1.27s/it] 34it [00:44, 1.28s/it] 35it [00:45, 1.29s/it] 36it [00:46, 1.30s/it] 37it [00:48, 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1.31s/it] 952it [20:35, 1.31s/it] 953it [20:37, 1.31s/it] 954it [20:38, 1.32s/it] 955it [20:39, 1.31s/it] 956it [20:40, 1.31s/it] 957it [20:42, 1.29s/it] 958it [20:43, 1.28s/it] 959it [20:44, 1.26s/it] 960it [20:45, 1.26s/it] 961it [20:47, 1.26s/it] 962it [20:48, 1.26s/it] 963it [20:49, 1.26s/it] 964it [20:51, 1.27s/it] 965it [20:52, 1.28s/it] 966it [20:53, 1.27s/it] 967it [20:54, 1.28s/it] 968it [20:56, 1.28s/it] 969it [20:57, 1.29s/it] 970it [20:58, 1.29s/it] 971it [21:00, 1.31s/it] 972it [21:01, 1.33s/it] 973it [21:02, 1.33s/it] 974it [21:04, 1.33s/it] 975it [21:05, 1.30s/it] 976it [21:06, 1.30s/it] 977it [21:07, 1.30s/it] 978it [21:09, 1.29s/it] 979it [21:10, 1.28s/it] 980it [21:11, 1.28s/it] 981it [21:13, 1.27s/it] 982it [21:14, 1.27s/it] 983it [21:15, 1.27s/it] 984it [21:16, 1.27s/it] 985it [21:18, 1.27s/it] 986it [21:19, 1.27s/it] 987it [21:20, 1.27s/it] 988it [21:21, 1.27s/it] 989it [21:23, 1.28s/it] 990it [21:24, 1.28s/it] 991it [21:25, 1.28s/it] 992it [21:27, 1.27s/it] 993it [21:28, 1.27s/it] 994it [21:29, 1.27s/it] 995it [21:30, 1.27s/it] 996it [21:32, 1.26s/it] 997it [21:33, 1.26s/it] 998it [21:34, 1.26s/it] 999it [21:35, 1.26s/it] 1000it [21:37, 1.26s/it] 1000it [21:37, 1.30s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:05.413063 +⏰ Completed process in 0:21:37.676907 diff --git a/chunked/d4-dock_095.csv.gz b/chunked/d4-dock_095.csv.gz index 2bca3df7059312a76132910fb036b0dd6b240cf7..27fe82e4969fad79eda9e0f094c79bb683b69404 100644 --- a/chunked/d4-dock_095.csv.gz +++ b/chunked/d4-dock_095.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:b7fefbcc2b720757d3e307413baf75177bcbdf42682b196d71203f9109a2c0ba -size 31245314 +oid sha256:aa97e3b8963013692aa27be5ca9b39f3dabfb8a96a2d62d8cc7aa4a211381eda +size 31245499 diff --git a/chunked/d4-dock_095.log b/chunked/d4-dock_095.log index f47fbfbef7efb03298f04a7285300b679760e125..a9d46ce193e3a2b266b266961570b191237d3306 100644 --- a/chunked/d4-dock_095.log +++ b/chunked/d4-dock_095.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.30s/it] 2it [00:02, 1.30s/it] 3it [00:03, 1.29s/it] 4it [00:05, 1.29s/it] 5it [00:06, 1.29s/it] 6it [00:07, 1.29s/it] 7it [00:09, 1.28s/it] 8it [00:10, 1.27s/it] 9it [00:11, 1.27s/it] 10it [00:12, 1.27s/it] 11it [00:14, 1.26s/it] 12it [00:15, 1.27s/it] 13it [00:16, 1.26s/it] 14it [00:17, 1.26s/it] 15it [00:19, 1.27s/it] 16it [00:20, 1.28s/it] 17it [00:21, 1.28s/it] 18it [00:23, 1.29s/it] 19it [00:24, 1.29s/it] 20it [00:25, 1.29s/it] 21it [00:26, 1.29s/it] 22it [00:28, 1.28s/it] 23it [00:29, 1.28s/it] 24it [00:30, 1.27s/it] 25it [00:31, 1.27s/it] 26it [00:33, 1.26s/it] 27it [00:34, 1.26s/it] 28it [00:35, 1.26s/it] 29it [00:36, 1.25s/it] 30it [00:38, 1.25s/it] 31it [00:39, 1.25s/it] 32it [00:40, 1.24s/it] 33it [00:41, 1.24s/it] 34it [00:43, 1.24s/it] 35it [00:44, 1.25s/it] 36it [00:45, 1.25s/it] 37it [00:46, 1.25s/it] 38it [00:48, 1.25s/it] 39it [00:49, 1.25s/it] 40it [00:50, 1.25s/it] 41it [00:51, 1.25s/it] 42it [00:53, 1.25s/it] 43it [00:54, 1.26s/it] 44it [00:55, 1.26s/it] 45it [00:56, 1.26s/it] 46it [00:58, 1.26s/it] 47it [00:59, 1.27s/it] 48it [01:00, 1.27s/it] 49it [01:02, 1.28s/it] 50it [01:03, 1.28s/it] 51it [01:04, 1.27s/it] 52it [01:05, 1.26s/it] 53it [01:07, 1.26s/it] 54it [01:08, 1.25s/it] 55it [01:09, 1.26s/it] 56it [01:10, 1.27s/it] 57it [01:12, 1.28s/it] 58it [01:13, 1.28s/it] 59it [01:14, 1.28s/it] 60it [01:16, 1.28s/it] 61it [01:17, 1.27s/it] 62it [01:18, 1.26s/it] 63it [01:19, 1.28s/it] 64it [01:21, 1.27s/it] 65it [01:22, 1.27s/it] 66it [01:23, 1.27s/it] 67it [01:24, 1.26s/it] 68it [01:26, 1.27s/it] 69it [01:27, 1.28s/it] 70it [01:28, 1.28s/it] 71it [01:30, 1.28s/it] 72it [01:31, 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1.34s/it] 819it [18:17, 1.34s/it] 820it [18:18, 1.35s/it] 821it [18:19, 1.33s/it] 822it [18:21, 1.32s/it] 823it [18:22, 1.32s/it] 824it [18:23, 1.35s/it] 825it [18:25, 1.35s/it] 826it [18:26, 1.36s/it] 827it [18:27, 1.38s/it] 828it [18:29, 1.39s/it] 829it [18:30, 1.39s/it] 830it [18:32, 1.39s/it] 831it [18:33, 1.36s/it] 832it [18:34, 1.33s/it] 833it [18:36, 1.35s/it] 834it [18:37, 1.36s/it] 835it [18:38, 1.37s/it] 836it [18:40, 1.37s/it] 837it [18:41, 1.38s/it] 838it [18:43, 1.38s/it] 839it [18:44, 1.37s/it] 840it [18:45, 1.37s/it] 841it [18:47, 1.37s/it] 842it [18:48, 1.36s/it] 843it [18:49, 1.37s/it] 844it [18:51, 1.38s/it] 845it [18:52, 1.37s/it] 846it [18:54, 1.39s/it] 847it [18:55, 1.39s/it] 848it [18:56, 1.38s/it] 849it [18:58, 1.40s/it] 850it [18:59, 1.42s/it] 851it [19:01, 1.41s/it] 852it [19:02, 1.41s/it] 853it [19:03, 1.40s/it] 854it [19:05, 1.39s/it] 855it [19:06, 1.40s/it] 856it [19:08, 1.39s/it] 857it [19:09, 1.39s/it] 858it [19:10, 1.40s/it] 859it [19:12, 1.41s/it] 860it [19:13, 1.41s/it] 861it [19:15, 1.41s/it] 862it [19:16, 1.42s/it] 863it [19:17, 1.41s/it] 864it [19:19, 1.41s/it] 865it [19:20, 1.41s/it] 866it [19:22, 1.41s/it] 867it [19:23, 1.39s/it] 868it [19:24, 1.40s/it] 869it [19:26, 1.39s/it] 870it [19:27, 1.39s/it] 871it [19:29, 1.39s/it] 872it [19:30, 1.40s/it] 873it [19:31, 1.40s/it] 874it [19:33, 1.39s/it] 875it [19:34, 1.39s/it] 876it [19:35, 1.38s/it] 877it [19:37, 1.38s/it] 878it [19:38, 1.37s/it] 879it [19:40, 1.38s/it] 880it [19:41, 1.38s/it] 881it [19:42, 1.38s/it] 882it [19:44, 1.39s/it] 883it [19:45, 1.39s/it] 884it [19:47, 1.39s/it] 885it [19:48, 1.39s/it] 886it [19:49, 1.39s/it] 887it [19:51, 1.40s/it] 888it [19:52, 1.40s/it] 889it [19:53, 1.36s/it] 890it [19:55, 1.37s/it] 891it [19:56, 1.39s/it] 892it [19:58, 1.38s/it] 893it [19:59, 1.39s/it] 894it [20:00, 1.39s/it] 895it [20:02, 1.38s/it] 896it [20:03, 1.36s/it] 897it [20:04, 1.37s/it] 898it [20:06, 1.38s/it] 899it [20:07, 1.36s/it] 900it [20:09, 1.35s/it] 901it [20:10, 1.33s/it] 902it [20:11, 1.35s/it] 903it [20:13, 1.37s/it] 904it [20:14, 1.39s/it] 905it [20:15, 1.39s/it] 906it [20:17, 1.38s/it] 907it [20:18, 1.38s/it] 908it [20:20, 1.38s/it] 909it [20:21, 1.39s/it] 910it [20:22, 1.39s/it] 911it [20:24, 1.38s/it] 912it [20:25, 1.37s/it] 913it [20:26, 1.36s/it] 914it [20:28, 1.36s/it] 915it [20:29, 1.36s/it] 916it [20:30, 1.35s/it] 917it [20:32, 1.35s/it] 918it [20:33, 1.36s/it] 919it [20:35, 1.36s/it] 920it [20:36, 1.36s/it] 921it [20:37, 1.37s/it] 922it [20:39, 1.37s/it] 923it [20:40, 1.38s/it] 924it [20:41, 1.38s/it] 925it [20:43, 1.38s/it] 926it [20:44, 1.38s/it] 927it [20:46, 1.38s/it] 928it [20:47, 1.38s/it] 929it [20:48, 1.38s/it] 930it [20:50, 1.38s/it] 931it [20:51, 1.39s/it] 932it [20:53, 1.39s/it] 933it [20:54, 1.40s/it] 934it [20:55, 1.39s/it] 935it [20:57, 1.40s/it] 936it [20:58, 1.40s/it] 937it [20:59, 1.37s/it] 938it [21:01, 1.35s/it] 939it [21:02, 1.34s/it] 940it [21:03, 1.34s/it] 941it [21:05, 1.36s/it] 942it [21:06, 1.36s/it] 943it [21:08, 1.38s/it] 944it [21:09, 1.37s/it] 945it [21:10, 1.35s/it] 946it [21:12, 1.32s/it] 947it [21:13, 1.29s/it] 948it [21:14, 1.27s/it] 949it [21:15, 1.29s/it] 950it [21:17, 1.28s/it] 951it [21:18, 1.28s/it] 952it [21:19, 1.28s/it] 953it [21:20, 1.29s/it] 954it [21:22, 1.31s/it] 955it [21:23, 1.32s/it] 956it [21:24, 1.33s/it] 957it [21:26, 1.34s/it] 958it [21:27, 1.35s/it] 959it [21:29, 1.35s/it] 960it [21:30, 1.35s/it] 961it [21:31, 1.35s/it] 962it [21:33, 1.34s/it] 963it [21:34, 1.35s/it] 964it [21:35, 1.36s/it] 965it [21:37, 1.35s/it] 966it [21:38, 1.36s/it] 967it [21:39, 1.34s/it] 968it [21:41, 1.33s/it] 969it [21:42, 1.32s/it] 970it [21:43, 1.33s/it] 971it [21:45, 1.34s/it] 972it [21:46, 1.34s/it] 973it [21:47, 1.34s/it] 974it [21:49, 1.34s/it] 975it [21:50, 1.33s/it] 976it [21:51, 1.35s/it] 977it [21:53, 1.35s/it] 978it [21:54, 1.35s/it] 979it [21:55, 1.35s/it] 980it [21:57, 1.35s/it] 981it [21:58, 1.34s/it] 982it [21:59, 1.35s/it] 983it [22:01, 1.34s/it] 984it [22:02, 1.36s/it] 985it [22:04, 1.37s/it] 986it [22:05, 1.38s/it] 987it [22:06, 1.38s/it] 988it [22:08, 1.37s/it] 989it [22:09, 1.36s/it] 990it [22:10, 1.36s/it] 991it [22:12, 1.35s/it] 992it [22:13, 1.36s/it] 993it [22:14, 1.35s/it] 994it [22:16, 1.35s/it] 995it [22:17, 1.35s/it] 996it [22:18, 1.34s/it] 997it [22:20, 1.35s/it] 998it [22:21, 1.34s/it] 999it [22:23, 1.35s/it] 1000it [22:24, 1.35s/it] 1000it [22:24, 1.34s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:25.577685 +⏰ Completed process in 0:22:24.900290 diff --git a/chunked/d4-dock_096.csv.gz b/chunked/d4-dock_096.csv.gz index 84ee809ef19abaa2ce73b5ebc13ef596ac75b913..98f4b418f8d1ceacb1aa243b2bd3fdffe4976ae3 100644 --- a/chunked/d4-dock_096.csv.gz +++ b/chunked/d4-dock_096.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:56ec9fe91beabc42f2ac3fb6c47762effae163cebd3a864f286ec3f3d7b29c05 -size 31442724 +oid sha256:39025a6a2fe975ec6a68751d60f947fe84c2b6b36e939b0b127e428aff4ca19f +size 31442703 diff --git a/chunked/d4-dock_096.log b/chunked/d4-dock_096.log index a99eba50a85e80773f68f09f6d44aa76b0084691..11d6f9db0fe3f28774246b6b85827065312b6fba 100644 --- a/chunked/d4-dock_096.log +++ b/chunked/d4-dock_096.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.33s/it] 2it [00:02, 1.34s/it] 3it [00:04, 1.34s/it] 4it [00:05, 1.33s/it] 5it [00:06, 1.33s/it] 6it [00:07, 1.33s/it] 7it [00:09, 1.32s/it] 8it [00:10, 1.33s/it] 9it [00:11, 1.33s/it] 10it [00:13, 1.34s/it] 11it [00:14, 1.34s/it] 12it [00:16, 1.34s/it] 13it [00:17, 1.33s/it] 14it [00:18, 1.32s/it] 15it [00:19, 1.32s/it] 16it [00:21, 1.30s/it] 17it [00:22, 1.31s/it] 18it [00:23, 1.32s/it] 19it [00:25, 1.34s/it] 20it [00:26, 1.35s/it] 21it [00:27, 1.34s/it] 22it [00:29, 1.34s/it] 23it [00:30, 1.34s/it] 24it [00:31, 1.34s/it] 25it [00:33, 1.33s/it] 26it [00:34, 1.34s/it] 27it [00:35, 1.34s/it] 28it [00:37, 1.33s/it] 29it [00:38, 1.35s/it] 30it [00:40, 1.36s/it] 31it [00:41, 1.37s/it] 32it [00:42, 1.37s/it] 33it [00:44, 1.37s/it] 34it [00:45, 1.36s/it] 35it [00:46, 1.35s/it] 36it [00:48, 1.36s/it] 37it [00:49, 1.34s/it] 38it [00:50, 1.34s/it] 39it [00:52, 1.34s/it] 40it [00:53, 1.33s/it] 41it [00:54, 1.32s/it] 42it [00:56, 1.32s/it] 43it [00:57, 1.33s/it] 44it [00:58, 1.33s/it] 45it [01:00, 1.33s/it] 46it [01:01, 1.31s/it] 47it [01:02, 1.32s/it] 48it [01:04, 1.31s/it] 49it [01:05, 1.31s/it] 50it [01:06, 1.31s/it] 51it [01:08, 1.32s/it] 52it [01:09, 1.33s/it] 53it [01:10, 1.32s/it] 54it [01:11, 1.32s/it] 55it [01:13, 1.32s/it] 56it [01:14, 1.33s/it] 57it [01:15, 1.32s/it] 58it [01:17, 1.32s/it] 59it [01:18, 1.33s/it] 60it [01:19, 1.32s/it] 61it [01:21, 1.31s/it] 62it [01:22, 1.32s/it] 63it [01:23, 1.34s/it] 64it [01:25, 1.34s/it] 65it [01:26, 1.33s/it] 66it [01:27, 1.32s/it] 67it [01:29, 1.32s/it] 68it [01:30, 1.33s/it] 69it [01:31, 1.33s/it] 70it [01:33, 1.34s/it] 71it [01:34, 1.33s/it] 72it [01:35, 1.31s/it] 73it [01:37, 1.30s/it] 74it [01:38, 1.32s/it] 75it [01:39, 1.33s/it] 76it [01:41, 1.33s/it] 77it [01:42, 1.33s/it] 78it [01:43, 1.34s/it] 79it [01:45, 1.34s/it] 80it [01:46, 1.34s/it] 81it [01:47, 1.33s/it] 82it [01:49, 1.32s/it] 83it [01:50, 1.32s/it] 84it [01:51, 1.32s/it] 85it [01:53, 1.33s/it] 86it [01:54, 1.33s/it] 87it [01:55, 1.30s/it] 88it [01:56, 1.28s/it] 89it [01:58, 1.30s/it] 90it [01:59, 1.31s/it] 91it [02:00, 1.32s/it] 92it [02:02, 1.32s/it] 93it [02:03, 1.32s/it] 94it [02:04, 1.32s/it] 95it [02:06, 1.33s/it] 96it [02:07, 1.32s/it] 97it [02:08, 1.31s/it] 98it [02:10, 1.32s/it] 99it [02:11, 1.33s/it] 100it [02:12, 1.33s/it] 101it [02:14, 1.32s/it] 102it [02:15, 1.33s/it] 103it [02:16, 1.31s/it] 104it [02:18, 1.31s/it] 105it [02:19, 1.32s/it] 106it [02:20, 1.31s/it] 107it [02:22, 1.31s/it] 108it [02:23, 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[17:33, 1.38s/it] 772it [17:34, 1.38s/it] 773it [17:35, 1.38s/it] 774it [17:37, 1.37s/it] 775it [17:38, 1.39s/it] 776it [17:40, 1.38s/it] 777it [17:41, 1.35s/it] 778it [17:42, 1.36s/it] 779it [17:44, 1.36s/it] 780it [17:45, 1.36s/it] 781it [17:46, 1.36s/it] 782it [17:48, 1.37s/it] 783it [17:49, 1.38s/it] 784it [17:51, 1.38s/it] 785it [17:52, 1.38s/it] 786it [17:53, 1.36s/it] 787it [17:55, 1.39s/it] 788it [17:56, 1.40s/it] 789it [17:57, 1.39s/it] 790it [17:59, 1.39s/it] 791it [18:00, 1.39s/it] 792it [18:02, 1.38s/it] 793it [18:03, 1.39s/it] 794it [18:04, 1.38s/it] 795it [18:06, 1.39s/it] 796it [18:07, 1.39s/it] 797it [18:09, 1.39s/it] 798it [18:10, 1.38s/it] 799it [18:11, 1.37s/it] 800it [18:13, 1.36s/it] 801it [18:14, 1.36s/it] 802it [18:15, 1.36s/it] 803it [18:17, 1.35s/it] 804it [18:18, 1.35s/it] 805it [18:19, 1.36s/it] 806it [18:21, 1.35s/it] 807it [18:22, 1.34s/it] 808it [18:23, 1.34s/it] 809it [18:25, 1.35s/it] 810it [18:26, 1.35s/it] 811it [18:28, 1.36s/it] 812it [18:29, 1.36s/it] 813it [18:30, 1.36s/it] 814it [18:32, 1.36s/it] 815it [18:33, 1.36s/it] 816it [18:34, 1.36s/it] 817it [18:36, 1.37s/it] 818it [18:37, 1.38s/it] 819it [18:38, 1.38s/it] 820it [18:40, 1.38s/it] 821it [18:41, 1.36s/it] 822it [18:43, 1.36s/it] 823it [18:44, 1.36s/it] 824it [18:45, 1.36s/it] 825it [18:47, 1.37s/it] 826it [18:48, 1.37s/it] 827it [18:49, 1.38s/it] 828it [18:51, 1.38s/it] 829it [18:52, 1.39s/it] 830it [18:54, 1.39s/it] 831it [18:55, 1.39s/it] 832it [18:56, 1.40s/it] 833it [18:58, 1.42s/it] 834it [19:00, 1.53s/it] 835it [19:01, 1.60s/it] 836it [19:03, 1.67s/it] 837it [19:05, 1.71s/it] 838it [19:07, 1.73s/it] 839it [19:09, 1.75s/it] 840it [19:10, 1.74s/it] 841it [19:12, 1.76s/it] 842it [19:14, 1.79s/it] 843it [19:16, 1.80s/it] 844it [19:18, 1.80s/it] 845it [19:19, 1.68s/it] 846it [19:20, 1.60s/it] 847it [19:22, 1.53s/it] 848it [19:23, 1.48s/it] 849it [19:25, 1.45s/it] 850it [19:26, 1.43s/it] 851it [19:27, 1.43s/it] 852it [19:29, 1.43s/it] 853it [19:30, 1.41s/it] 854it [19:32, 1.39s/it] 855it [19:33, 1.38s/it] 856it [19:34, 1.37s/it] 857it [19:36, 1.38s/it] 858it [19:37, 1.39s/it] 859it [19:38, 1.39s/it] 860it [19:40, 1.40s/it] 861it [19:41, 1.41s/it] 862it [19:43, 1.40s/it] 863it [19:44, 1.39s/it] 864it [19:45, 1.39s/it] 865it [19:47, 1.39s/it] 866it [19:48, 1.39s/it] 867it [19:50, 1.40s/it] 868it [19:51, 1.39s/it] 869it [19:52, 1.39s/it] 870it [19:54, 1.39s/it] 871it [19:55, 1.39s/it] 872it [19:57, 1.38s/it] 873it [19:58, 1.39s/it] 874it [19:59, 1.38s/it] 875it [20:01, 1.37s/it] 876it [20:02, 1.36s/it] 877it [20:03, 1.36s/it] 878it [20:05, 1.36s/it] 879it [20:06, 1.37s/it] 880it [20:07, 1.36s/it] 881it [20:09, 1.36s/it] 882it [20:10, 1.37s/it] 883it [20:12, 1.38s/it] 884it [20:13, 1.37s/it] 885it [20:14, 1.38s/it] 886it [20:16, 1.38s/it] 887it [20:17, 1.38s/it] 888it [20:19, 1.38s/it] 889it [20:20, 1.36s/it] 890it [20:21, 1.37s/it] 891it [20:23, 1.39s/it] 892it [20:24, 1.41s/it] 893it [20:26, 1.41s/it] 894it [20:27, 1.41s/it] 895it [20:28, 1.41s/it] 896it [20:30, 1.39s/it] 897it [20:31, 1.39s/it] 898it [20:32, 1.39s/it] 899it [20:34, 1.39s/it] 900it [20:35, 1.38s/it] 901it [20:37, 1.39s/it] 902it [20:38, 1.39s/it] 903it [20:39, 1.38s/it] 904it [20:41, 1.38s/it] 905it [20:42, 1.38s/it] 906it [20:44, 1.40s/it] 907it [20:45, 1.40s/it] 908it [20:46, 1.38s/it] 909it [20:48, 1.37s/it] 910it [20:49, 1.38s/it] 911it [20:50, 1.39s/it] 912it [20:52, 1.39s/it] 913it [20:53, 1.38s/it] 914it [20:55, 1.38s/it] 915it [20:56, 1.39s/it] 916it [20:57, 1.39s/it] 917it [20:59, 1.39s/it] 918it [21:00, 1.38s/it] 919it [21:02, 1.38s/it] 920it [21:03, 1.38s/it] 921it [21:04, 1.38s/it] 922it [21:06, 1.39s/it] 923it [21:07, 1.39s/it] 924it [21:08, 1.39s/it] 925it [21:10, 1.39s/it] 926it [21:11, 1.38s/it] 927it [21:13, 1.37s/it] 928it [21:14, 1.38s/it] 929it [21:15, 1.39s/it] 930it [21:17, 1.39s/it] 931it [21:18, 1.39s/it] 932it [21:20, 1.38s/it] 933it [21:21, 1.37s/it] 934it [21:22, 1.37s/it] 935it [21:24, 1.36s/it] 936it [21:25, 1.36s/it] 937it [21:26, 1.35s/it] 938it [21:28, 1.36s/it] 939it [21:29, 1.37s/it] 940it [21:30, 1.36s/it] 941it [21:32, 1.37s/it] 942it [21:33, 1.37s/it] 943it [21:35, 1.37s/it] 944it [21:36, 1.38s/it] 945it [21:37, 1.40s/it] 946it [21:39, 1.41s/it] 947it [21:40, 1.43s/it] 948it [21:42, 1.43s/it] 949it [21:43, 1.43s/it] 950it [21:45, 1.43s/it] 951it [21:46, 1.44s/it] 952it [21:47, 1.44s/it] 953it [21:49, 1.44s/it] 954it [21:50, 1.43s/it] 955it [21:52, 1.40s/it] 956it [21:53, 1.39s/it] 957it [21:54, 1.38s/it] 958it [21:56, 1.37s/it] 959it [21:57, 1.37s/it] 960it [21:58, 1.37s/it] 961it [22:00, 1.36s/it] 962it [22:01, 1.35s/it] 963it [22:02, 1.35s/it] 964it [22:04, 1.35s/it] 965it [22:05, 1.35s/it] 966it [22:07, 1.35s/it] 967it [22:08, 1.35s/it] 968it [22:09, 1.35s/it] 969it [22:11, 1.35s/it] 970it [22:12, 1.34s/it] 971it [22:13, 1.33s/it] 972it [22:15, 1.33s/it] 973it [22:16, 1.32s/it] 974it [22:17, 1.32s/it] 975it [22:18, 1.31s/it] 976it [22:20, 1.32s/it] 977it [22:21, 1.32s/it] 978it [22:23, 1.34s/it] 979it [22:24, 1.36s/it] 980it [22:25, 1.34s/it] 981it [22:27, 1.34s/it] 982it [22:28, 1.35s/it] 983it [22:29, 1.35s/it] 984it [22:31, 1.36s/it] 985it [22:32, 1.37s/it] 986it [22:33, 1.35s/it] 987it [22:35, 1.34s/it] 988it [22:36, 1.33s/it] 989it [22:37, 1.33s/it] 990it [22:39, 1.35s/it] 991it [22:40, 1.36s/it] 992it [22:41, 1.36s/it] 993it [22:43, 1.34s/it] 994it [22:44, 1.34s/it] 995it [22:45, 1.34s/it] 996it [22:47, 1.34s/it] 997it [22:48, 1.34s/it] 998it [22:49, 1.34s/it] 999it [22:51, 1.35s/it] 1000it [22:52, 1.35s/it] 1000it [22:52, 1.37s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:47.009476 +⏰ Completed process in 0:22:53.207184 diff --git a/chunked/d4-dock_097.csv.gz b/chunked/d4-dock_097.csv.gz index fc6785d0deb072a13a6f4e8a2ec52ec23c75634f..6b7caa7158e21033628447ef3f59325819085e65 100644 --- a/chunked/d4-dock_097.csv.gz +++ b/chunked/d4-dock_097.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:c8e8f14173a6efe7e46b86a671e7b1e8fc57ee92f6e633ec0da152e14caedc64 -size 30726887 +oid sha256:4e45cd390faec687bee7d9903565d808e177e44f8daf1c38681f20c707c794a5 +size 30726892 diff --git a/chunked/d4-dock_097.log b/chunked/d4-dock_097.log index 20716b0c1d75092fb96dcac21fa8f02e12ed487a..bbf2e4dbb4b7d50fb1c24f64d1d282383475f071 100644 --- a/chunked/d4-dock_097.log +++ b/chunked/d4-dock_097.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.36s/it] 2it [00:02, 1.36s/it] 3it [00:04, 1.37s/it] 4it [00:05, 1.39s/it] 5it [00:06, 1.40s/it] 6it [00:08, 1.39s/it] 7it [00:09, 1.38s/it] 8it [00:11, 1.37s/it] 9it [00:12, 1.38s/it] 10it [00:13, 1.37s/it] 11it [00:15, 1.36s/it] 12it [00:16, 1.37s/it] 13it [00:17, 1.37s/it] 14it [00:19, 1.36s/it] 15it [00:20, 1.38s/it] 16it [00:22, 1.39s/it] 17it [00:23, 1.38s/it] 18it [00:24, 1.38s/it] 19it [00:26, 1.37s/it] 20it [00:27, 1.38s/it] 21it [00:28, 1.39s/it] 22it [00:30, 1.39s/it] 23it [00:31, 1.38s/it] 24it [00:33, 1.37s/it] 25it [00:34, 1.36s/it] 26it [00:35, 1.36s/it] 27it [00:37, 1.36s/it] 28it [00:38, 1.36s/it] 29it [00:39, 1.37s/it] 30it [00:41, 1.37s/it] 31it [00:42, 1.37s/it] 32it [00:43, 1.37s/it] 33it [00:45, 1.37s/it] 34it [00:46, 1.37s/it] 35it [00:48, 1.37s/it] 36it [00:49, 1.38s/it] 37it [00:50, 1.37s/it] 38it [00:52, 1.38s/it] 39it [00:53, 1.37s/it] 40it [00:54, 1.36s/it] 41it [00:56, 1.35s/it] 42it [00:57, 1.34s/it] 43it [00:58, 1.33s/it] 44it [01:00, 1.32s/it] 45it [01:01, 1.33s/it] 46it [01:02, 1.35s/it] 47it [01:04, 1.37s/it] 48it [01:05, 1.39s/it] 49it [01:07, 1.39s/it] 50it [01:08, 1.40s/it] 51it [01:09, 1.40s/it] 52it [01:11, 1.41s/it] 53it [01:12, 1.41s/it] 54it [01:14, 1.41s/it] 55it [01:15, 1.41s/it] 56it [01:17, 1.41s/it] 57it [01:18, 1.41s/it] 58it [01:19, 1.41s/it] 59it [01:21, 1.40s/it] 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1.38s/it] 890it [20:02, 1.35s/it] 891it [20:03, 1.33s/it] 892it [20:04, 1.30s/it] 893it [20:05, 1.32s/it] 894it [20:07, 1.33s/it] 895it [20:08, 1.33s/it] 896it [20:09, 1.33s/it] 897it [20:11, 1.35s/it] 898it [20:12, 1.37s/it] 899it [20:14, 1.38s/it] 900it [20:15, 1.35s/it] 901it [20:16, 1.34s/it] 902it [20:18, 1.35s/it] 903it [20:19, 1.35s/it] 904it [20:20, 1.35s/it] 905it [20:22, 1.35s/it] 906it [20:23, 1.34s/it] 907it [20:24, 1.35s/it] 908it [20:26, 1.34s/it] 909it [20:27, 1.34s/it] 910it [20:28, 1.32s/it] 911it [20:30, 1.30s/it] 912it [20:31, 1.29s/it] 913it [20:32, 1.29s/it] 914it [20:33, 1.29s/it] 915it [20:35, 1.30s/it] 916it [20:36, 1.29s/it] 917it [20:37, 1.30s/it] 918it [20:39, 1.28s/it] 919it [20:40, 1.26s/it] 920it [20:41, 1.26s/it] 921it [20:42, 1.24s/it] 922it [20:43, 1.23s/it] 923it [20:45, 1.21s/it] 924it [20:46, 1.19s/it] 925it [20:47, 1.25s/it] 926it [20:48, 1.29s/it] 927it [20:50, 1.31s/it] 928it [20:51, 1.33s/it] 929it [20:53, 1.33s/it] 930it [20:54, 1.34s/it] 931it [20:55, 1.31s/it] 932it [20:56, 1.27s/it] 933it [20:58, 1.27s/it] 934it [20:59, 1.29s/it] 935it [21:00, 1.31s/it] 936it [21:02, 1.32s/it] 937it [21:03, 1.32s/it] 938it [21:04, 1.29s/it] 939it [21:05, 1.27s/it] 940it [21:07, 1.25s/it] 941it [21:08, 1.23s/it] 942it [21:09, 1.26s/it] 943it [21:10, 1.28s/it] 944it [21:12, 1.30s/it] 945it [21:13, 1.32s/it] 946it [21:14, 1.32s/it] 947it [21:16, 1.33s/it] 948it [21:17, 1.33s/it] 949it [21:19, 1.35s/it] 950it [21:20, 1.35s/it] 951it [21:21, 1.36s/it] 952it [21:23, 1.37s/it] 953it [21:24, 1.38s/it] 954it [21:25, 1.38s/it] 955it [21:27, 1.36s/it] 956it [21:28, 1.31s/it] 957it [21:29, 1.28s/it] 958it [21:30, 1.26s/it] 959it [21:32, 1.26s/it] 960it [21:33, 1.26s/it] 961it [21:34, 1.32s/it] 962it [21:36, 1.36s/it] 963it [21:37, 1.35s/it] 964it [21:38, 1.33s/it] 965it [21:40, 1.32s/it] 966it [21:41, 1.32s/it] 967it [21:42, 1.33s/it] 968it [21:44, 1.32s/it] 969it [21:45, 1.32s/it] 970it [21:46, 1.33s/it] 971it [21:48, 1.33s/it] 972it [21:49, 1.33s/it] 973it [21:50, 1.33s/it] 974it [21:52, 1.33s/it] 975it [21:53, 1.33s/it] 976it [21:54, 1.33s/it] 977it [21:56, 1.34s/it] 978it [21:57, 1.34s/it] 979it [21:58, 1.35s/it] 980it [22:00, 1.32s/it] 981it [22:01, 1.31s/it] 982it [22:02, 1.30s/it] 983it [22:03, 1.28s/it] 984it [22:05, 1.26s/it] 985it [22:06, 1.25s/it] 986it [22:07, 1.24s/it] 987it [22:08, 1.24s/it] 988it [22:10, 1.24s/it] 989it [22:11, 1.25s/it] 990it [22:12, 1.26s/it] 991it [22:13, 1.27s/it] 992it [22:15, 1.25s/it] 993it [22:16, 1.24s/it] 994it [22:17, 1.24s/it] 995it [22:18, 1.25s/it] 996it [22:20, 1.25s/it] 997it [22:21, 1.27s/it] 998it [22:22, 1.27s/it] 999it [22:23, 1.26s/it] 1000it [22:25, 1.26s/it] 1000it [22:25, 1.35s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:47.240825 +⏰ Completed process in 0:22:25.679688 diff --git a/chunked/d4-dock_098.csv.gz b/chunked/d4-dock_098.csv.gz index e5c823b488e929d79c156dbea5e675d67a38a620..35f4cf6387332f86e06cc6449a70d8f440a43ada 100644 --- a/chunked/d4-dock_098.csv.gz +++ b/chunked/d4-dock_098.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:ba623f6ce5635f6bd495ca954a909ca0c3df06a3c7c2563e188cb14dcae79788 -size 29394790 +oid sha256:93c3f3842918f4d76d2987ee545e2476a626a30d3afbb19426760dce666b05b1 +size 29394814 diff --git a/chunked/d4-dock_098.log b/chunked/d4-dock_098.log index 3bbf7d9e4415551e661c09f873f88ec3cfd2b4dc..85913a13ec3433e32a4c7ab96028548dc081aba4 100644 --- a/chunked/d4-dock_098.log +++ b/chunked/d4-dock_098.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.32s/it] 2it [00:02, 1.31s/it] 3it [00:03, 1.30s/it] 4it [00:05, 1.30s/it] 5it [00:06, 1.31s/it] 6it [00:07, 1.32s/it] 7it [00:09, 1.34s/it] 8it [00:10, 1.33s/it] 9it [00:11, 1.32s/it] 10it [00:13, 1.31s/it] 11it [00:14, 1.31s/it] 12it [00:15, 1.31s/it] 13it [00:17, 1.32s/it] 14it [00:18, 1.34s/it] 15it [00:19, 1.37s/it] 16it [00:21, 1.40s/it] 17it [00:22, 1.42s/it] 18it [00:24, 1.39s/it] 19it [00:25, 1.36s/it] 20it [00:26, 1.35s/it] 21it [00:28, 1.34s/it] 22it [00:29, 1.33s/it] 23it [00:30, 1.33s/it] 24it [00:32, 1.32s/it] 25it [00:33, 1.31s/it] 26it [00:34, 1.34s/it] 27it [00:36, 1.34s/it] 28it [00:37, 1.35s/it] 29it [00:38, 1.35s/it] 30it [00:40, 1.37s/it] 31it [00:41, 1.37s/it] 32it [00:43, 1.37s/it] 33it [00:44, 1.37s/it] 34it [00:45, 1.36s/it] 35it [00:47, 1.36s/it] 36it [00:48, 1.37s/it] 37it [00:49, 1.37s/it] 38it [00:51, 1.36s/it] 39it [00:52, 1.36s/it] 40it [00:53, 1.33s/it] 41it [00:55, 1.33s/it] 42it [00:56, 1.34s/it] 43it [00:57, 1.34s/it] 44it [00:59, 1.35s/it] 45it [01:00, 1.36s/it] 46it [01:01, 1.37s/it] 47it [01:03, 1.38s/it] 48it [01:04, 1.37s/it] 49it [01:06, 1.39s/it] 50it [01:07, 1.40s/it] 51it [01:08, 1.38s/it] 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1.36s/it] 717it [15:45, 1.34s/it] 718it [15:47, 1.34s/it] 719it [15:48, 1.33s/it] 720it [15:49, 1.33s/it] 721it [15:51, 1.34s/it] 722it [15:52, 1.34s/it] 723it [15:53, 1.34s/it] 724it [15:55, 1.35s/it] 725it [15:56, 1.35s/it] 726it [15:57, 1.35s/it] 727it [15:59, 1.36s/it] 728it [16:00, 1.32s/it] 729it [16:01, 1.31s/it] 730it [16:03, 1.31s/it] 731it [16:04, 1.30s/it] 732it [16:05, 1.31s/it] 733it [16:07, 1.31s/it] 734it [16:08, 1.32s/it] 735it [16:09, 1.31s/it] 736it [16:11, 1.30s/it] 737it [16:12, 1.30s/it] 738it [16:13, 1.29s/it] 739it [16:14, 1.30s/it] 740it [16:16, 1.32s/it] 741it [16:17, 1.28s/it] 742it [16:18, 1.29s/it] 743it [16:20, 1.30s/it] 744it [16:21, 1.30s/it] 745it [16:22, 1.29s/it] 746it [16:23, 1.29s/it] 747it [16:25, 1.31s/it] 748it [16:26, 1.34s/it] 749it [16:28, 1.34s/it] 750it [16:29, 1.34s/it] 751it [16:30, 1.34s/it] 752it [16:32, 1.34s/it] 753it [16:33, 1.31s/it] 754it [16:34, 1.31s/it] 755it [16:36, 1.35s/it] 756it [16:37, 1.37s/it] 757it [16:38, 1.37s/it] 758it [16:40, 1.39s/it] 759it [16:41, 1.39s/it] 760it [16:43, 1.39s/it] 761it [16:44, 1.37s/it] 762it [16:45, 1.36s/it] 763it [16:47, 1.38s/it] 764it [16:48, 1.37s/it] 765it [16:49, 1.34s/it] 766it [16:51, 1.32s/it] 767it [16:52, 1.31s/it] 768it [16:53, 1.31s/it] 769it [16:54, 1.32s/it] 770it [16:56, 1.32s/it] 771it [16:57, 1.32s/it] 772it [16:58, 1.33s/it] 773it [17:00, 1.34s/it] 774it [17:01, 1.33s/it] 775it [17:02, 1.32s/it] 776it [17:04, 1.32s/it] 777it [17:05, 1.31s/it] 778it [17:06, 1.29s/it] 779it [17:08, 1.32s/it] 780it [17:09, 1.34s/it] 781it [17:10, 1.34s/it] 782it [17:12, 1.36s/it] 783it [17:13, 1.37s/it] 784it [17:14, 1.35s/it] 785it [17:16, 1.32s/it] 786it [17:17, 1.30s/it] 787it [17:18, 1.30s/it] 788it [17:20, 1.30s/it] 789it [17:21, 1.30s/it] 790it [17:22, 1.30s/it] 791it [17:24, 1.31s/it] 792it [17:25, 1.32s/it] 793it [17:26, 1.31s/it] 794it [17:27, 1.31s/it] 795it [17:29, 1.33s/it] 796it [17:30, 1.34s/it] 797it [17:32, 1.34s/it] 798it [17:33, 1.34s/it] 799it [17:34, 1.34s/it] 800it [17:36, 1.35s/it] 801it [17:37, 1.35s/it] 802it [17:38, 1.36s/it] 803it [17:40, 1.36s/it] 804it [17:41, 1.33s/it] 805it [17:42, 1.32s/it] 806it [17:44, 1.31s/it] 807it [17:45, 1.31s/it] 808it [17:46, 1.30s/it] 809it [17:47, 1.29s/it] 810it [17:49, 1.29s/it] 811it [17:50, 1.27s/it] 812it [17:51, 1.27s/it] 813it [17:52, 1.26s/it] 814it [17:54, 1.26s/it] 815it [17:55, 1.26s/it] 816it [17:56, 1.26s/it] 817it [17:58, 1.29s/it] 818it [17:59, 1.32s/it] 819it [18:00, 1.33s/it] 820it [18:02, 1.35s/it] 821it [18:03, 1.37s/it] 822it [18:04, 1.36s/it] 823it [18:06, 1.36s/it] 824it [18:07, 1.35s/it] 825it [18:08, 1.35s/it] 826it [18:10, 1.34s/it] 827it [18:11, 1.34s/it] 828it [18:12, 1.33s/it] 829it [18:14, 1.32s/it] 830it [18:15, 1.35s/it] 831it [18:17, 1.37s/it] 832it [18:18, 1.39s/it] 833it [18:19, 1.40s/it] 834it [18:21, 1.36s/it] 835it [18:22, 1.34s/it] 836it [18:23, 1.34s/it] 837it [18:25, 1.32s/it] 838it [18:26, 1.30s/it] 839it [18:27, 1.30s/it] 840it [18:28, 1.30s/it] 841it 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1.32s/it] 883it [19:25, 1.34s/it] 884it [19:26, 1.37s/it] 885it [19:28, 1.38s/it] 886it [19:29, 1.36s/it] 887it [19:30, 1.35s/it] 888it [19:32, 1.34s/it] 889it [19:33, 1.34s/it] 890it [19:34, 1.32s/it] 891it [19:35, 1.31s/it] 892it [19:37, 1.33s/it] 893it [19:38, 1.34s/it] 894it [19:40, 1.37s/it] 895it [19:41, 1.37s/it] 896it [19:42, 1.35s/it] 897it [19:44, 1.35s/it] 898it [19:45, 1.34s/it] 899it [19:46, 1.34s/it] 900it [19:48, 1.33s/it] 901it [19:49, 1.32s/it] 902it [19:50, 1.31s/it] 903it [19:52, 1.30s/it] 904it [19:53, 1.30s/it] 905it [19:54, 1.29s/it] 906it [19:55, 1.29s/it] 907it [19:57, 1.29s/it] 908it [19:58, 1.29s/it] 909it [19:59, 1.31s/it] 910it [20:01, 1.30s/it] 911it [20:02, 1.29s/it] 912it [20:03, 1.27s/it] 913it [20:04, 1.26s/it] 914it [20:06, 1.25s/it] 915it [20:07, 1.24s/it] 916it [20:08, 1.22s/it] 917it [20:09, 1.21s/it] 918it [20:10, 1.20s/it] 919it [20:12, 1.21s/it] 920it [20:13, 1.27s/it] 921it [20:14, 1.30s/it] 922it [20:16, 1.33s/it] 923it [20:17, 1.34s/it] 924it [20:18, 1.32s/it] 925it [20:20, 1.31s/it] 926it [20:21, 1.30s/it] 927it [20:22, 1.31s/it] 928it [20:24, 1.32s/it] 929it [20:25, 1.33s/it] 930it [20:26, 1.32s/it] 931it [20:28, 1.32s/it] 932it [20:29, 1.31s/it] 933it [20:30, 1.31s/it] 934it [20:32, 1.32s/it] 935it [20:33, 1.33s/it] 936it [20:34, 1.32s/it] 937it [20:35, 1.31s/it] 938it [20:37, 1.33s/it] 939it [20:38, 1.34s/it] 940it [20:40, 1.35s/it] 941it [20:41, 1.38s/it] 942it [20:42, 1.40s/it] 943it [20:44, 1.39s/it] 944it [20:45, 1.36s/it] 945it [20:46, 1.34s/it] 946it [20:48, 1.33s/it] 947it [20:49, 1.33s/it] 948it [20:50, 1.32s/it] 949it [20:52, 1.32s/it] 950it [20:53, 1.33s/it] 951it [20:54, 1.33s/it] 952it [20:56, 1.33s/it] 953it [20:57, 1.32s/it] 954it [20:58, 1.32s/it] 955it [21:00, 1.31s/it] 956it [21:01, 1.32s/it] 957it [21:02, 1.35s/it] 958it [21:04, 1.35s/it] 959it [21:05, 1.33s/it] 960it [21:06, 1.31s/it] 961it [21:08, 1.35s/it] 962it [21:09, 1.36s/it] 963it [21:10, 1.37s/it] 964it [21:12, 1.35s/it] 965it [21:13, 1.32s/it] 966it [21:14, 1.31s/it] 967it [21:16, 1.30s/it] 968it [21:17, 1.30s/it] 969it [21:18, 1.31s/it] 970it [21:20, 1.32s/it] 971it [21:21, 1.33s/it] 972it [21:22, 1.30s/it] 973it [21:23, 1.26s/it] 974it [21:24, 1.23s/it] 975it [21:26, 1.21s/it] 976it [21:27, 1.24s/it] 977it [21:28, 1.27s/it] 978it [21:30, 1.28s/it] 979it [21:31, 1.32s/it] 980it [21:32, 1.35s/it] 981it [21:34, 1.37s/it] 982it [21:35, 1.38s/it] 983it [21:37, 1.35s/it] 984it [21:38, 1.33s/it] 985it [21:39, 1.31s/it] 986it [21:40, 1.30s/it] 987it [21:42, 1.28s/it] 988it [21:43, 1.28s/it] 989it [21:44, 1.29s/it] 990it [21:45, 1.29s/it] 991it [21:47, 1.29s/it] 992it [21:48, 1.30s/it] 993it [21:49, 1.30s/it] 994it [21:51, 1.31s/it] 995it [21:52, 1.32s/it] 996it [21:53, 1.32s/it] 997it [21:55, 1.32s/it] 998it [21:56, 1.31s/it] 999it [21:57, 1.30s/it] 1000it [21:59, 1.29s/it] 1000it [21:59, 1.32s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:50.072256 +⏰ Completed process in 0:21:59.583763 diff --git a/chunked/d4-dock_099.csv.gz b/chunked/d4-dock_099.csv.gz index 685146972c4a662cdac61bcf4c6dcdc1d13e5ab6..02dcf40a22c0fc5b3f7abe71e0d7ca3cf3bca453 100644 --- a/chunked/d4-dock_099.csv.gz +++ b/chunked/d4-dock_099.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:6f248ba32eea9f9798436c1eccdff96961d667160ce149a7812a0a68c6517fd8 -size 30490473 +oid sha256:340ecacb421baf79ce8d82c46bf33d74cfb50de77840223fde9ac1c5f89ad973 +size 30490482 diff --git a/chunked/d4-dock_099.log b/chunked/d4-dock_099.log index b283c8836e64e4491da01c1127dca976c8800d2e..72d385ae4c22577ec68547c8b0bdeb0dabf56dfd 100644 --- a/chunked/d4-dock_099.log +++ b/chunked/d4-dock_099.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.31s/it] 2it [00:02, 1.31s/it] 3it [00:03, 1.34s/it] 4it [00:05, 1.39s/it] 5it [00:06, 1.42s/it] 6it [00:08, 1.42s/it] 7it [00:09, 1.40s/it] 8it [00:11, 1.39s/it] 9it [00:12, 1.36s/it] 10it [00:13, 1.33s/it] 11it [00:14, 1.32s/it] 12it [00:16, 1.31s/it] 13it [00:17, 1.31s/it] 14it [00:18, 1.31s/it] 15it [00:20, 1.31s/it] 16it [00:21, 1.31s/it] 17it [00:22, 1.34s/it] 18it [00:24, 1.35s/it] 19it [00:25, 1.36s/it] 20it [00:26, 1.36s/it] 21it [00:28, 1.38s/it] 22it [00:29, 1.38s/it] 23it [00:30, 1.33s/it] 24it [00:32, 1.32s/it] 25it [00:33, 1.34s/it] 26it [00:35, 1.35s/it] 27it [00:36, 1.34s/it] 28it [00:37, 1.32s/it] 29it [00:38, 1.32s/it] 30it [00:40, 1.32s/it] 31it [00:41, 1.31s/it] 32it [00:42, 1.30s/it] 33it [00:44, 1.30s/it] 34it [00:45, 1.30s/it] 35it [00:46, 1.30s/it] 36it [00:48, 1.31s/it] 37it [00:49, 1.30s/it] 38it [00:50, 1.29s/it] 39it [00:51, 1.30s/it] 40it [00:53, 1.30s/it] 41it [00:54, 1.30s/it] 42it [00:55, 1.31s/it] 43it [00:57, 1.30s/it] 44it [00:58, 1.30s/it] 45it [00:59, 1.30s/it] 46it [01:01, 1.31s/it] 47it 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1.29s/it] 920it [19:38, 1.29s/it] 921it [19:39, 1.28s/it] 922it [19:41, 1.28s/it] 923it [19:42, 1.28s/it] 924it [19:43, 1.27s/it] 925it [19:44, 1.27s/it] 926it [19:46, 1.28s/it] 927it [19:47, 1.28s/it] 928it [19:48, 1.28s/it] 929it [19:50, 1.29s/it] 930it [19:51, 1.30s/it] 931it [19:52, 1.30s/it] 932it [19:53, 1.29s/it] 933it [19:55, 1.27s/it] 934it [19:56, 1.26s/it] 935it [19:57, 1.26s/it] 936it [19:59, 1.28s/it] 937it [20:00, 1.29s/it] 938it [20:01, 1.29s/it] 939it [20:02, 1.30s/it] 940it [20:04, 1.31s/it] 941it [20:05, 1.31s/it] 942it [20:06, 1.30s/it] 943it [20:08, 1.29s/it] 944it [20:09, 1.29s/it] 945it [20:10, 1.29s/it] 946it [20:12, 1.29s/it] 947it [20:13, 1.29s/it] 948it [20:14, 1.29s/it] 949it [20:15, 1.29s/it] 950it [20:17, 1.29s/it] 951it [20:18, 1.29s/it] 952it [20:19, 1.29s/it] 953it [20:21, 1.28s/it] 954it [20:22, 1.27s/it] 955it [20:23, 1.25s/it] 956it [20:24, 1.24s/it] 957it [20:25, 1.26s/it] 958it [20:27, 1.27s/it] 959it [20:28, 1.29s/it] 960it [20:29, 1.29s/it] 961it [20:31, 1.28s/it] 962it [20:32, 1.28s/it] 963it [20:33, 1.29s/it] 964it [20:35, 1.28s/it] 965it [20:36, 1.29s/it] 966it [20:37, 1.30s/it] 967it [20:38, 1.30s/it] 968it [20:40, 1.30s/it] 969it [20:41, 1.30s/it] 970it [20:42, 1.30s/it] 971it [20:44, 1.29s/it] 972it [20:45, 1.30s/it] 973it [20:46, 1.29s/it] 974it [20:48, 1.31s/it] 975it [20:49, 1.31s/it] 976it [20:50, 1.31s/it] 977it [20:51, 1.31s/it] 978it [20:53, 1.31s/it] 979it [20:54, 1.30s/it] 980it [20:55, 1.30s/it] 981it [20:57, 1.31s/it] 982it [20:58, 1.29s/it] 983it [20:59, 1.27s/it] 984it [21:00, 1.27s/it] 985it [21:02, 1.27s/it] 986it [21:03, 1.26s/it] 987it [21:04, 1.26s/it] 988it [21:06, 1.29s/it] 989it [21:07, 1.29s/it] 990it [21:08, 1.30s/it] 991it [21:09, 1.30s/it] 992it [21:11, 1.28s/it] 993it [21:12, 1.27s/it] 994it [21:13, 1.28s/it] 995it [21:15, 1.27s/it] 996it [21:16, 1.26s/it] 997it [21:17, 1.28s/it] 998it [21:18, 1.28s/it] 999it [21:20, 1.27s/it] 1000it [21:21, 1.27s/it] 1000it [21:21, 1.28s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:26.418085 +⏰ Completed process in 0:21:21.886342 diff --git a/chunked/d4-dock_100.csv.gz b/chunked/d4-dock_100.csv.gz index 5bd5c345fe199e940dbd4dac4564aaf1d4202901..1e1e14a141f68225dd7fa3813901d2cedd5724a2 100644 --- a/chunked/d4-dock_100.csv.gz +++ b/chunked/d4-dock_100.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:6f67808ab8854441f7f6034476ea80cb703b7624c18b79b9d4f67d49fb2879bf -size 31205209 +oid sha256:302219af0298bee0a371f8a889127255a83743d4fdba8dd53122ae474ebc2cc5 +size 31205242 diff --git a/chunked/d4-dock_100.log b/chunked/d4-dock_100.log index 140e1af1bfe61ad886a24a03902b03f20122259a..f8c6824d03adedcadbbb16c6ae22abac0bc64c49 100644 --- a/chunked/d4-dock_100.log +++ b/chunked/d4-dock_100.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.37s/it] 2it [00:02, 1.31s/it] 3it [00:03, 1.32s/it] 4it [00:05, 1.31s/it] 5it [00:06, 1.30s/it] 6it [00:07, 1.29s/it] 7it [00:08, 1.25s/it] 8it [00:10, 1.26s/it] 9it [00:11, 1.27s/it] 10it [00:12, 1.29s/it] 11it [00:14, 1.27s/it] 12it [00:15, 1.24s/it] 13it [00:16, 1.25s/it] 14it [00:17, 1.27s/it] 15it [00:19, 1.28s/it] 16it [00:20, 1.29s/it] 17it [00:21, 1.31s/it] 18it [00:23, 1.33s/it] 19it [00:24, 1.34s/it] 20it [00:25, 1.35s/it] 21it [00:27, 1.34s/it] 22it [00:28, 1.35s/it] 23it [00:29, 1.34s/it] 24it [00:31, 1.32s/it] 25it [00:32, 1.32s/it] 26it [00:33, 1.32s/it] 27it [00:35, 1.31s/it] 28it [00:36, 1.30s/it] 29it [00:37, 1.30s/it] 30it [00:39, 1.31s/it] 31it [00:40, 1.33s/it] 32it [00:41, 1.33s/it] 33it [00:43, 1.34s/it] 34it [00:44, 1.34s/it] 35it [00:45, 1.33s/it] 36it [00:47, 1.32s/it] 37it [00:48, 1.32s/it] 38it [00:49, 1.29s/it] 39it [00:50, 1.28s/it] 40it [00:52, 1.28s/it] 41it [00:53, 1.30s/it] 42it [00:54, 1.30s/it] 43it [00:56, 1.30s/it] 44it [00:57, 1.32s/it] 45it [00:58, 1.33s/it] 46it [01:00, 1.35s/it] 47it [01:01, 1.34s/it] 48it [01:02, 1.34s/it] 49it [01:04, 1.33s/it] 50it [01:05, 1.33s/it] 51it [01:06, 1.33s/it] 52it [01:08, 1.32s/it] 53it [01:09, 1.33s/it] 54it [01:10, 1.35s/it] 55it [01:12, 1.35s/it] 56it [01:13, 1.35s/it] 57it [01:14, 1.34s/it] 58it [01:16, 1.34s/it] 59it [01:17, 1.35s/it] 60it [01:19, 1.35s/it] 61it [01:20, 1.35s/it] 62it [01:21, 1.35s/it] 63it [01:23, 1.36s/it] 64it [01:24, 1.35s/it] 65it [01:25, 1.34s/it] 66it [01:27, 1.35s/it] 67it [01:28, 1.35s/it] 68it [01:29, 1.36s/it] 69it [01:31, 1.36s/it] 70it [01:32, 1.36s/it] 71it [01:33, 1.35s/it] 72it [01:35, 1.36s/it] 73it [01:36, 1.36s/it] 74it [01:37, 1.35s/it] 75it [01:39, 1.35s/it] 76it [01:40, 1.35s/it] 77it [01:41, 1.33s/it] 78it [01:43, 1.34s/it] 79it [01:44, 1.33s/it] 80it [01:45, 1.34s/it] 81it [01:47, 1.35s/it] 82it [01:48, 1.37s/it] 83it [01:50, 1.37s/it] 84it [01:51, 1.36s/it] 85it [01:52, 1.35s/it] 86it [01:54, 1.35s/it] 87it [01:55, 1.35s/it] 88it [01:56, 1.35s/it] 89it [01:58, 1.33s/it] 90it [01:59, 1.31s/it] 91it [02:00, 1.32s/it] 92it [02:01, 1.30s/it] 93it [02:03, 1.28s/it] 94it [02:04, 1.26s/it] 95it [02:05, 1.29s/it] 96it [02:07, 1.30s/it] 97it [02:08, 1.31s/it] 98it [02:09, 1.34s/it] 99it [02:11, 1.34s/it] 100it [02:12, 1.34s/it] 101it [02:13, 1.33s/it] 102it [02:15, 1.33s/it] 103it [02:16, 1.33s/it] 104it [02:17, 1.31s/it] 105it [02:19, 1.30s/it] 106it [02:20, 1.30s/it] 107it [02:21, 1.31s/it] 108it [02:23, 1.32s/it] 109it [02:24, 1.33s/it] 110it [02:25, 1.32s/it] 111it [02:26, 1.32s/it] 112it [02:28, 1.31s/it] 113it [02:29, 1.32s/it] 114it [02:31, 1.34s/it] 115it [02:32, 1.34s/it] 116it [02:33, 1.33s/it] 117it [02:34, 1.33s/it] 118it [02:36, 1.32s/it] 119it [02:37, 1.32s/it] 120it [02:38, 1.33s/it] 121it [02:40, 1.33s/it] 122it [02:41, 1.33s/it] 123it [02:42, 1.33s/it] 124it [02:44, 1.34s/it] 125it [02:45, 1.34s/it] 126it [02:47, 1.35s/it] 127it [02:48, 1.33s/it] 128it [02:49, 1.33s/it] 129it [02:50, 1.33s/it] 130it [02:52, 1.33s/it] 131it [02:53, 1.32s/it] 132it [02:54, 1.32s/it] 133it [02:56, 1.31s/it] 134it [02:57, 1.32s/it] 135it [02:58, 1.34s/it] 136it [03:00, 1.36s/it] 137it [03:01, 1.35s/it] 138it [03:02, 1.34s/it] 139it [03:04, 1.33s/it] 140it [03:05, 1.33s/it] 141it [03:06, 1.32s/it] 142it [03:08, 1.33s/it] 143it [03:09, 1.34s/it] 144it [03:10, 1.35s/it] 145it [03:12, 1.31s/it] 146it [03:13, 1.28s/it] 147it [03:14, 1.26s/it] 148it [03:15, 1.25s/it] 149it [03:17, 1.26s/it] 150it [03:18, 1.29s/it] 151it [03:19, 1.29s/it] 152it [03:21, 1.31s/it] 153it [03:22, 1.33s/it] 154it [03:23, 1.33s/it] 155it [03:25, 1.32s/it] 156it [03:26, 1.31s/it] 157it [03:27, 1.32s/it] 158it [03:29, 1.33s/it] 159it [03:30, 1.34s/it] 160it [03:31, 1.36s/it] 161it [03:33, 1.37s/it] 162it [03:34, 1.37s/it] 163it [03:36, 1.37s/it] 164it [03:37, 1.36s/it] 165it [03:38, 1.35s/it] 166it [03:40, 1.35s/it] 167it [03:41, 1.36s/it] 168it [03:42, 1.36s/it] 169it [03:44, 1.35s/it] 170it [03:45, 1.35s/it] 171it [03:46, 1.35s/it] 172it [03:48, 1.35s/it] 173it [03:49, 1.34s/it] 174it [03:50, 1.35s/it] 175it [03:52, 1.35s/it] 176it [03:53, 1.35s/it] 177it [03:54, 1.35s/it] 178it [03:56, 1.34s/it] 179it [03:57, 1.33s/it] 180it [03:58, 1.32s/it] 181it [04:00, 1.30s/it] 182it [04:01, 1.31s/it] 183it [04:02, 1.31s/it] 184it [04:04, 1.31s/it] 185it [04:05, 1.32s/it] 186it [04:06, 1.32s/it] 187it [04:08, 1.34s/it] 188it [04:09, 1.34s/it] 189it [04:10, 1.33s/it] 190it [04:12, 1.32s/it] 191it [04:13, 1.32s/it] 192it [04:14, 1.32s/it] 193it [04:15, 1.33s/it] 194it [04:17, 1.34s/it] 195it [04:18, 1.35s/it] 196it [04:20, 1.35s/it] 197it [04:21, 1.34s/it] 198it [04:22, 1.35s/it] 199it [04:24, 1.34s/it] 200it [04:25, 1.34s/it] 201it [04:26, 1.33s/it] 202it [04:28, 1.33s/it] 203it [04:29, 1.35s/it] 204it [04:30, 1.35s/it] 205it [04:32, 1.33s/it] 206it [04:33, 1.32s/it] 207it [04:34, 1.32s/it] 208it [04:35, 1.31s/it] 209it [04:37, 1.30s/it] 210it [04:38, 1.30s/it] 211it 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1.35s/it] 708it [15:52, 1.34s/it] 709it [15:53, 1.33s/it] 710it [15:54, 1.32s/it] 711it [15:56, 1.33s/it] 712it [15:57, 1.32s/it] 713it [15:58, 1.32s/it] 714it [16:00, 1.31s/it] 715it [16:01, 1.31s/it] 716it [16:02, 1.31s/it] 717it [16:04, 1.31s/it] 718it [16:05, 1.30s/it] 719it [16:06, 1.31s/it] 720it [16:08, 1.32s/it] 721it [16:09, 1.30s/it] 722it [16:10, 1.28s/it] 723it [16:11, 1.28s/it] 724it [16:13, 1.29s/it] 725it [16:14, 1.31s/it] 726it [16:15, 1.32s/it] 727it [16:17, 1.33s/it] 728it [16:18, 1.35s/it] 729it [16:19, 1.34s/it] 730it [16:21, 1.35s/it] 731it [16:22, 1.35s/it] 732it [16:23, 1.36s/it] 733it [16:25, 1.35s/it] 734it [16:26, 1.35s/it] 735it [16:28, 1.36s/it] 736it [16:29, 1.34s/it] 737it [16:30, 1.34s/it] 738it [16:32, 1.34s/it] 739it [16:33, 1.33s/it] 740it [16:34, 1.32s/it] 741it [16:35, 1.30s/it] 742it [16:37, 1.31s/it] 743it [16:38, 1.32s/it] 744it [16:39, 1.31s/it] 745it [16:41, 1.31s/it] 746it [16:42, 1.30s/it] 747it [16:43, 1.30s/it] 748it [16:45, 1.30s/it] 749it [16:46, 1.30s/it] 750it [16:47, 1.30s/it] 751it [16:48, 1.30s/it] 752it [16:50, 1.30s/it] 753it [16:51, 1.31s/it] 754it [16:52, 1.30s/it] 755it [16:54, 1.31s/it] 756it [16:55, 1.30s/it] 757it [16:56, 1.30s/it] 758it [16:58, 1.31s/it] 759it [16:59, 1.32s/it] 760it [17:00, 1.32s/it] 761it [17:02, 1.33s/it] 762it [17:03, 1.34s/it] 763it [17:04, 1.35s/it] 764it [17:06, 1.36s/it] 765it [17:07, 1.37s/it] 766it [17:09, 1.38s/it] 767it [17:10, 1.37s/it] 768it [17:11, 1.37s/it] 769it [17:13, 1.37s/it] 770it [17:14, 1.37s/it] 771it [17:15, 1.36s/it] 772it [17:17, 1.35s/it] 773it [17:18, 1.34s/it] 774it [17:19, 1.34s/it] 775it [17:21, 1.33s/it] 776it [17:22, 1.33s/it] 777it [17:23, 1.32s/it] 778it [17:25, 1.33s/it] 779it [17:26, 1.33s/it] 780it [17:27, 1.33s/it] 781it [17:29, 1.34s/it] 782it [17:30, 1.35s/it] 783it [17:31, 1.36s/it] 784it [17:33, 1.36s/it] 785it [17:34, 1.37s/it] 786it [17:36, 1.37s/it] 787it [17:37, 1.37s/it] 788it [17:38, 1.37s/it] 789it [17:40, 1.37s/it] 790it [17:41, 1.36s/it] 791it [17:42, 1.36s/it] 792it [17:44, 1.36s/it] 793it [17:45, 1.37s/it] 794it [17:46, 1.38s/it] 795it [17:48, 1.39s/it] 796it [17:49, 1.40s/it] 797it [17:51, 1.39s/it] 798it [17:52, 1.37s/it] 799it [17:53, 1.37s/it] 800it [17:55, 1.39s/it] 801it [17:56, 1.41s/it] 802it [17:58, 1.40s/it] 803it [17:59, 1.39s/it] 804it [18:00, 1.39s/it] 805it [18:02, 1.40s/it] 806it [18:03, 1.39s/it] 807it [18:05, 1.39s/it] 808it [18:06, 1.39s/it] 809it [18:07, 1.40s/it] 810it [18:09, 1.39s/it] 811it [18:10, 1.37s/it] 812it [18:11, 1.34s/it] 813it [18:13, 1.35s/it] 814it [18:14, 1.38s/it] 815it [18:16, 1.38s/it] 816it [18:17, 1.39s/it] 817it [18:18, 1.39s/it] 818it [18:20, 1.39s/it] 819it [18:21, 1.36s/it] 820it [18:22, 1.35s/it] 821it [18:24, 1.35s/it] 822it [18:25, 1.35s/it] 823it [18:26, 1.35s/it] 824it [18:28, 1.35s/it] 825it [18:29, 1.34s/it] 826it [18:30, 1.35s/it] 827it [18:32, 1.35s/it] 828it [18:33, 1.35s/it] 829it [18:34, 1.35s/it] 830it [18:36, 1.35s/it] 831it [18:37, 1.35s/it] 832it [18:38, 1.35s/it] 833it [18:40, 1.34s/it] 834it [18:41, 1.35s/it] 835it [18:43, 1.36s/it] 836it [18:44, 1.36s/it] 837it [18:45, 1.35s/it] 838it [18:47, 1.35s/it] 839it [18:48, 1.35s/it] 840it [18:49, 1.34s/it] 841it [18:51, 1.35s/it] 842it [18:52, 1.34s/it] 843it [18:53, 1.34s/it] 844it [18:55, 1.34s/it] 845it [18:56, 1.34s/it] 846it [18:57, 1.34s/it] 847it [18:59, 1.34s/it] 848it [19:00, 1.34s/it] 849it [19:01, 1.34s/it] 850it [19:03, 1.33s/it] 851it [19:04, 1.34s/it] 852it [19:05, 1.34s/it] 853it [19:07, 1.33s/it] 854it [19:08, 1.34s/it] 855it [19:09, 1.33s/it] 856it [19:11, 1.34s/it] 857it [19:12, 1.34s/it] 858it [19:13, 1.35s/it] 859it [19:15, 1.35s/it] 860it [19:16, 1.35s/it] 861it [19:17, 1.34s/it] 862it [19:19, 1.34s/it] 863it [19:20, 1.33s/it] 864it [19:21, 1.33s/it] 865it [19:23, 1.33s/it] 866it [19:24, 1.31s/it] 867it [19:25, 1.33s/it] 868it [19:27, 1.34s/it] 869it [19:28, 1.35s/it] 870it [19:29, 1.35s/it] 871it [19:31, 1.35s/it] 872it [19:32, 1.35s/it] 873it [19:33, 1.34s/it] 874it [19:35, 1.34s/it] 875it [19:36, 1.34s/it] 876it [19:37, 1.34s/it] 877it [19:39, 1.32s/it] 878it [19:40, 1.32s/it] 879it [19:41, 1.32s/it] 880it [19:43, 1.31s/it] 881it [19:44, 1.29s/it] 882it [19:45, 1.29s/it] 883it [19:46, 1.28s/it] 884it [19:48, 1.27s/it] 885it [19:49, 1.28s/it] 886it [19:50, 1.30s/it] 887it [19:52, 1.29s/it] 888it [19:53, 1.30s/it] 889it [19:54, 1.30s/it] 890it [19:56, 1.31s/it] 891it [19:57, 1.30s/it] 892it [19:58, 1.31s/it] 893it [20:00, 1.32s/it] 894it [20:01, 1.33s/it] 895it [20:02, 1.34s/it] 896it [20:04, 1.33s/it] 897it [20:05, 1.33s/it] 898it [20:06, 1.34s/it] 899it [20:08, 1.35s/it] 900it [20:09, 1.34s/it] 901it [20:10, 1.33s/it] 902it [20:12, 1.32s/it] 903it [20:13, 1.31s/it] 904it [20:14, 1.31s/it] 905it [20:15, 1.31s/it] 906it [20:17, 1.31s/it] 907it [20:18, 1.32s/it] 908it [20:19, 1.33s/it] 909it [20:21, 1.32s/it] 910it [20:22, 1.29s/it] 911it [20:23, 1.29s/it] 912it [20:25, 1.30s/it] 913it [20:26, 1.31s/it] 914it [20:27, 1.31s/it] 915it [20:29, 1.31s/it] 916it [20:30, 1.31s/it] 917it [20:31, 1.31s/it] 918it [20:32, 1.32s/it] 919it [20:34, 1.33s/it] 920it [20:35, 1.34s/it] 921it [20:37, 1.34s/it] 922it [20:38, 1.33s/it] 923it [20:39, 1.32s/it] 924it [20:40, 1.32s/it] 925it [20:42, 1.31s/it] 926it [20:43, 1.31s/it] 927it [20:44, 1.30s/it] 928it [20:46, 1.28s/it] 929it [20:47, 1.26s/it] 930it [20:48, 1.29s/it] 931it [20:50, 1.31s/it] 932it [20:51, 1.35s/it] 933it [20:52, 1.37s/it] 934it [20:54, 1.39s/it] 935it [20:55, 1.40s/it] 936it [20:57, 1.39s/it] 937it [20:58, 1.38s/it] 938it [20:59, 1.36s/it] 939it [21:01, 1.36s/it] 940it [21:02, 1.35s/it] 941it [21:03, 1.35s/it] 942it [21:05, 1.36s/it] 943it [21:06, 1.37s/it] 944it [21:07, 1.37s/it] 945it [21:09, 1.37s/it] 946it [21:10, 1.36s/it] 947it [21:12, 1.36s/it] 948it [21:13, 1.36s/it] 949it [21:14, 1.36s/it] 950it [21:16, 1.37s/it] 951it [21:17, 1.35s/it] 952it [21:18, 1.35s/it] 953it [21:20, 1.35s/it] 954it [21:21, 1.35s/it] 955it [21:22, 1.35s/it] 956it [21:24, 1.35s/it] 957it [21:25, 1.35s/it] 958it [21:26, 1.35s/it] 959it [21:28, 1.34s/it] 960it [21:29, 1.35s/it] 961it [21:30, 1.35s/it] 962it [21:32, 1.33s/it] 963it [21:33, 1.33s/it] 964it [21:34, 1.32s/it] 965it [21:36, 1.32s/it] 966it [21:37, 1.32s/it] 967it [21:38, 1.32s/it] 968it [21:40, 1.33s/it] 969it [21:41, 1.33s/it] 970it [21:42, 1.35s/it] 971it [21:44, 1.35s/it] 972it [21:45, 1.36s/it] 973it [21:46, 1.35s/it] 974it [21:48, 1.33s/it] 975it [21:49, 1.33s/it] 976it [21:50, 1.34s/it] 977it [21:52, 1.35s/it] 978it [21:53, 1.34s/it] 979it [21:54, 1.33s/it] 980it [21:56, 1.32s/it] 981it [21:57, 1.33s/it] 982it [21:58, 1.33s/it] 983it [22:00, 1.33s/it] 984it [22:01, 1.33s/it] 985it [22:02, 1.33s/it] 986it [22:04, 1.33s/it] 987it [22:05, 1.33s/it] 988it [22:06, 1.34s/it] 989it [22:08, 1.33s/it] 990it [22:09, 1.33s/it] 991it [22:10, 1.33s/it] 992it [22:12, 1.33s/it] 993it [22:13, 1.31s/it] 994it [22:14, 1.31s/it] 995it [22:16, 1.29s/it] 996it [22:17, 1.30s/it] 997it [22:18, 1.29s/it] 998it [22:19, 1.30s/it] 999it [22:21, 1.29s/it] 1000it [22:22, 1.30s/it] 1000it [22:22, 1.34s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:31.169554 +⏰ Completed process in 0:22:23.091779 diff --git a/chunked/d4-dock_101.csv.gz b/chunked/d4-dock_101.csv.gz index bef79bd49bccead4b5b2262fd25018b160cc179e..60d93ec710f3bd437c596d4ee2a85fc76277b784 100644 --- a/chunked/d4-dock_101.csv.gz +++ b/chunked/d4-dock_101.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:6870961e63e36d3fac04adf1ece15ee7f1f10bf8e76d2aef90ab78e80b9f578b -size 30129850 +oid sha256:eae13442e6182608725d7083f8c61111e29f57c2fc13f0b5c690967b92995bd6 +size 30129880 diff --git a/chunked/d4-dock_101.log b/chunked/d4-dock_101.log index a2e4d5ff2660c855547a4a7d1a3cace68acf2b0b..a450b7d264bb0c3b584c6321e11a4c74cf140557 100644 --- a/chunked/d4-dock_101.log +++ b/chunked/d4-dock_101.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.39s/it] 2it [00:02, 1.36s/it] 3it [00:04, 1.36s/it] 4it [00:05, 1.36s/it] 5it [00:06, 1.36s/it] 6it [00:08, 1.37s/it] 7it [00:09, 1.36s/it] 8it [00:10, 1.35s/it] 9it [00:12, 1.34s/it] 10it [00:13, 1.36s/it] 11it [00:14, 1.37s/it] 12it [00:16, 1.38s/it] 13it [00:17, 1.38s/it] 14it [00:19, 1.39s/it] 15it [00:20, 1.38s/it] 16it [00:21, 1.37s/it] 17it [00:23, 1.37s/it] 18it [00:24, 1.36s/it] 19it [00:25, 1.34s/it] 20it [00:27, 1.33s/it] 21it [00:28, 1.33s/it] 22it [00:29, 1.33s/it] 23it [00:31, 1.34s/it] 24it [00:32, 1.34s/it] 25it [00:33, 1.33s/it] 26it [00:35, 1.33s/it] 27it [00:36, 1.34s/it] 28it [00:37, 1.34s/it] 29it [00:39, 1.33s/it] 30it [00:40, 1.33s/it] 31it [00:41, 1.34s/it] 32it [00:43, 1.35s/it] 33it [00:44, 1.36s/it] 34it [00:45, 1.36s/it] 35it [00:47, 1.35s/it] 36it [00:48, 1.35s/it] 37it [00:50, 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1.35s/it] 952it [20:43, 1.35s/it] 953it [20:44, 1.34s/it] 954it [20:45, 1.34s/it] 955it [20:47, 1.34s/it] 956it [20:48, 1.31s/it] 957it [20:49, 1.29s/it] 958it [20:50, 1.28s/it] 959it [20:52, 1.27s/it] 960it [20:53, 1.25s/it] 961it [20:54, 1.24s/it] 962it [20:55, 1.24s/it] 963it [20:56, 1.24s/it] 964it [20:58, 1.24s/it] 965it [20:59, 1.25s/it] 966it [21:00, 1.24s/it] 967it [21:01, 1.24s/it] 968it [21:03, 1.24s/it] 969it [21:04, 1.24s/it] 970it [21:05, 1.24s/it] 971it [21:06, 1.23s/it] 972it [21:08, 1.24s/it] 973it [21:09, 1.24s/it] 974it [21:10, 1.23s/it] 975it [21:11, 1.23s/it] 976it [21:13, 1.26s/it] 977it [21:14, 1.27s/it] 978it [21:15, 1.27s/it] 979it [21:16, 1.28s/it] 980it [21:18, 1.30s/it] 981it [21:19, 1.31s/it] 982it [21:20, 1.30s/it] 983it [21:22, 1.31s/it] 984it [21:23, 1.31s/it] 985it [21:24, 1.31s/it] 986it [21:26, 1.31s/it] 987it [21:27, 1.31s/it] 988it [21:28, 1.32s/it] 989it [21:30, 1.30s/it] 990it [21:31, 1.30s/it] 991it [21:32, 1.30s/it] 992it [21:33, 1.30s/it] 993it [21:35, 1.30s/it] 994it [21:36, 1.29s/it] 995it [21:37, 1.30s/it] 996it [21:39, 1.30s/it] 997it [21:40, 1.31s/it] 998it [21:41, 1.30s/it] 999it [21:43, 1.29s/it] 1000it [21:44, 1.30s/it] 1000it [21:44, 1.30s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:27.289904 +⏰ Completed process in 0:21:44.797996 diff --git a/chunked/d4-dock_102.csv.gz b/chunked/d4-dock_102.csv.gz index 58c58ba73ab4b8e158ea3dbcfebdbc031d7a7014..3e102476197a8a0f237675eb0ae1e922f082d8be 100644 --- a/chunked/d4-dock_102.csv.gz +++ b/chunked/d4-dock_102.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:b952906d78c14563256dcb17e218e67e12036e450ba0747999cd574285fbb5cd -size 31518014 +oid sha256:2588645726e140bdf7cb37e2d0d6283295da206a24a705de342d55041eb1889e +size 31517984 diff --git a/chunked/d4-dock_102.log b/chunked/d4-dock_102.log index 2ef7f5cc0443fa860ba49a6d76a1b9d162bb7ddf..f0ef4b4b98759bc48aba8714c090fe6149a9e711 100644 --- a/chunked/d4-dock_102.log +++ b/chunked/d4-dock_102.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.38s/it] 2it [00:02, 1.37s/it] 3it [00:04, 1.37s/it] 4it [00:05, 1.36s/it] 5it [00:06, 1.35s/it] 6it [00:08, 1.36s/it] 7it [00:09, 1.37s/it] 8it [00:10, 1.38s/it] 9it [00:12, 1.37s/it] 10it [00:13, 1.36s/it] 11it [00:14, 1.34s/it] 12it [00:16, 1.34s/it] 13it [00:17, 1.34s/it] 14it [00:18, 1.34s/it] 15it [00:20, 1.34s/it] 16it [00:21, 1.34s/it] 17it [00:22, 1.33s/it] 18it [00:24, 1.35s/it] 19it [00:25, 1.36s/it] 20it [00:27, 1.37s/it] 21it [00:28, 1.36s/it] 22it [00:29, 1.35s/it] 23it [00:31, 1.36s/it] 24it [00:32, 1.36s/it] 25it [00:33, 1.37s/it] 26it [00:35, 1.36s/it] 27it [00:36, 1.36s/it] 28it [00:38, 1.37s/it] 29it [00:39, 1.37s/it] 30it [00:40, 1.38s/it] 31it [00:42, 1.38s/it] 32it [00:43, 1.38s/it] 33it [00:44, 1.39s/it] 34it [00:46, 1.38s/it] 35it [00:47, 1.38s/it] 36it [00:49, 1.39s/it] 37it [00:50, 1.40s/it] 38it [00:51, 1.40s/it] 39it [00:53, 1.40s/it] 40it [00:54, 1.40s/it] 41it [00:56, 1.39s/it] 42it [00:57, 1.37s/it] 43it [00:58, 1.36s/it] 44it [01:00, 1.35s/it] 45it [01:01, 1.34s/it] 46it [01:02, 1.34s/it] 47it [01:04, 1.35s/it] 48it [01:05, 1.36s/it] 49it [01:06, 1.36s/it] 50it [01:08, 1.36s/it] 51it [01:09, 1.37s/it] 52it [01:11, 1.37s/it] 53it [01:12, 1.38s/it] 54it [01:13, 1.38s/it] 55it [01:15, 1.40s/it] 56it [01:16, 1.40s/it] 57it [01:18, 1.39s/it] 58it [01:19, 1.38s/it] 59it [01:20, 1.36s/it] 60it [01:22, 1.36s/it] 61it [01:23, 1.35s/it] 62it [01:24, 1.35s/it] 63it [01:26, 1.35s/it] 64it [01:27, 1.35s/it] 65it [01:28, 1.35s/it] 66it [01:30, 1.35s/it] 67it [01:31, 1.35s/it] 68it [01:32, 1.34s/it] 69it [01:34, 1.34s/it] 70it [01:35, 1.34s/it] 71it [01:36, 1.32s/it] 72it [01:38, 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[17:21, 1.24s/it] 778it [17:22, 1.25s/it] 779it [17:24, 1.27s/it] 780it [17:25, 1.28s/it] 781it [17:26, 1.29s/it] 782it [17:28, 1.29s/it] 783it [17:29, 1.29s/it] 784it [17:30, 1.31s/it] 785it [17:32, 1.31s/it] 786it [17:33, 1.30s/it] 787it [17:34, 1.30s/it] 788it [17:36, 1.31s/it] 789it [17:37, 1.30s/it] 790it [17:38, 1.30s/it] 791it [17:39, 1.29s/it] 792it [17:41, 1.28s/it] 793it [17:42, 1.28s/it] 794it [17:43, 1.28s/it] 795it [17:44, 1.27s/it] 796it [17:46, 1.27s/it] 797it [17:47, 1.29s/it] 798it [17:48, 1.30s/it] 799it [17:50, 1.31s/it] 800it [17:51, 1.30s/it] 801it [17:52, 1.30s/it] 802it [17:53, 1.28s/it] 803it [17:55, 1.27s/it] 804it [17:56, 1.28s/it] 805it [17:57, 1.29s/it] 806it [17:59, 1.28s/it] 807it [18:00, 1.27s/it] 808it [18:01, 1.27s/it] 809it [18:02, 1.28s/it] 810it [18:04, 1.28s/it] 811it [18:05, 1.27s/it] 812it [18:06, 1.27s/it] 813it [18:08, 1.29s/it] 814it [18:09, 1.29s/it] 815it [18:10, 1.29s/it] 816it [18:11, 1.29s/it] 817it [18:13, 1.30s/it] 818it [18:14, 1.30s/it] 819it [18:15, 1.31s/it] 820it [18:17, 1.32s/it] 821it [18:18, 1.30s/it] 822it [18:19, 1.28s/it] 823it [18:20, 1.28s/it] 824it [18:22, 1.29s/it] 825it [18:23, 1.28s/it] 826it [18:24, 1.28s/it] 827it [18:26, 1.29s/it] 828it [18:27, 1.28s/it] 829it [18:28, 1.29s/it] 830it [18:30, 1.29s/it] 831it [18:31, 1.28s/it] 832it [18:32, 1.28s/it] 833it [18:33, 1.28s/it] 834it [18:35, 1.30s/it] 835it [18:36, 1.30s/it] 836it [18:37, 1.30s/it] 837it [18:39, 1.30s/it] 838it [18:40, 1.30s/it] 839it [18:41, 1.30s/it] 840it [18:42, 1.31s/it] 841it [18:44, 1.31s/it] 842it [18:45, 1.31s/it] 843it [18:46, 1.32s/it] 844it [18:48, 1.31s/it] 845it [18:49, 1.31s/it] 846it [18:50, 1.30s/it] 847it [18:52, 1.30s/it] 848it [18:53, 1.32s/it] 849it [18:54, 1.31s/it] 850it [18:56, 1.31s/it] 851it [18:57, 1.31s/it] 852it [18:58, 1.31s/it] 853it [19:00, 1.30s/it] 854it [19:01, 1.31s/it] 855it [19:02, 1.32s/it] 856it [19:03, 1.31s/it] 857it [19:05, 1.32s/it] 858it [19:06, 1.32s/it] 859it [19:07, 1.33s/it] 860it [19:09, 1.33s/it] 861it [19:10, 1.33s/it] 862it [19:11, 1.32s/it] 863it [19:13, 1.32s/it] 864it [19:14, 1.32s/it] 865it [19:15, 1.32s/it] 866it [19:17, 1.32s/it] 867it [19:18, 1.32s/it] 868it [19:19, 1.32s/it] 869it [19:21, 1.31s/it] 870it [19:22, 1.34s/it] 871it [19:23, 1.34s/it] 872it [19:25, 1.33s/it] 873it [19:26, 1.32s/it] 874it [19:27, 1.32s/it] 875it [19:29, 1.34s/it] 876it [19:30, 1.35s/it] 877it [19:31, 1.34s/it] 878it [19:33, 1.34s/it] 879it [19:34, 1.33s/it] 880it [19:35, 1.32s/it] 881it [19:37, 1.32s/it] 882it [19:38, 1.31s/it] 883it [19:39, 1.32s/it] 884it [19:41, 1.31s/it] 885it [19:42, 1.31s/it] 886it [19:43, 1.31s/it] 887it [19:44, 1.30s/it] 888it [19:46, 1.30s/it] 889it [19:47, 1.29s/it] 890it [19:48, 1.28s/it] 891it [19:50, 1.29s/it] 892it [19:51, 1.30s/it] 893it [19:52, 1.31s/it] 894it [19:54, 1.31s/it] 895it [19:55, 1.30s/it] 896it [19:56, 1.30s/it] 897it [19:57, 1.31s/it] 898it [19:59, 1.31s/it] 899it [20:00, 1.32s/it] 900it [20:01, 1.31s/it] 901it [20:03, 1.31s/it] 902it [20:04, 1.31s/it] 903it [20:05, 1.31s/it] 904it [20:07, 1.31s/it] 905it [20:08, 1.30s/it] 906it [20:09, 1.28s/it] 907it [20:10, 1.28s/it] 908it [20:12, 1.28s/it] 909it [20:13, 1.28s/it] 910it [20:14, 1.29s/it] 911it [20:16, 1.30s/it] 912it [20:17, 1.29s/it] 913it [20:18, 1.29s/it] 914it [20:19, 1.29s/it] 915it [20:21, 1.31s/it] 916it [20:22, 1.31s/it] 917it [20:23, 1.30s/it] 918it [20:25, 1.31s/it] 919it [20:26, 1.31s/it] 920it [20:27, 1.32s/it] 921it [20:29, 1.33s/it] 922it [20:30, 1.32s/it] 923it [20:31, 1.31s/it] 924it [20:33, 1.32s/it] 925it [20:34, 1.33s/it] 926it [20:35, 1.34s/it] 927it [20:37, 1.33s/it] 928it [20:38, 1.32s/it] 929it [20:39, 1.30s/it] 930it [20:41, 1.30s/it] 931it [20:42, 1.29s/it] 932it [20:43, 1.28s/it] 933it [20:44, 1.30s/it] 934it [20:46, 1.31s/it] 935it [20:47, 1.31s/it] 936it [20:48, 1.30s/it] 937it [20:50, 1.30s/it] 938it [20:51, 1.29s/it] 939it [20:52, 1.27s/it] 940it [20:53, 1.28s/it] 941it [20:55, 1.29s/it] 942it [20:56, 1.29s/it] 943it [20:57, 1.28s/it] 944it [20:59, 1.28s/it] 945it [21:00, 1.27s/it] 946it [21:01, 1.28s/it] 947it [21:02, 1.27s/it] 948it [21:04, 1.27s/it] 949it [21:05, 1.28s/it] 950it [21:06, 1.29s/it] 951it [21:08, 1.30s/it] 952it [21:09, 1.30s/it] 953it [21:10, 1.31s/it] 954it [21:11, 1.30s/it] 955it [21:13, 1.31s/it] 956it [21:14, 1.31s/it] 957it [21:15, 1.30s/it] 958it [21:17, 1.30s/it] 959it [21:18, 1.30s/it] 960it [21:19, 1.29s/it] 961it [21:21, 1.29s/it] 962it [21:22, 1.28s/it] 963it [21:23, 1.29s/it] 964it [21:24, 1.29s/it] 965it [21:26, 1.28s/it] 966it [21:27, 1.28s/it] 967it [21:28, 1.29s/it] 968it [21:30, 1.29s/it] 969it [21:31, 1.29s/it] 970it [21:32, 1.30s/it] 971it [21:34, 1.31s/it] 972it [21:35, 1.31s/it] 973it [21:36, 1.31s/it] 974it [21:38, 1.33s/it] 975it [21:39, 1.32s/it] 976it [21:40, 1.33s/it] 977it [21:41, 1.33s/it] 978it [21:43, 1.32s/it] 979it [21:44, 1.31s/it] 980it [21:45, 1.31s/it] 981it [21:47, 1.31s/it] 982it [21:48, 1.30s/it] 983it [21:49, 1.29s/it] 984it [21:51, 1.30s/it] 985it [21:52, 1.30s/it] 986it [21:53, 1.31s/it] 987it [21:54, 1.30s/it] 988it [21:56, 1.30s/it] 989it [21:57, 1.30s/it] 990it [21:58, 1.30s/it] 991it [22:00, 1.31s/it] 992it [22:01, 1.30s/it] 993it [22:02, 1.30s/it] 994it [22:04, 1.30s/it] 995it [22:05, 1.30s/it] 996it [22:06, 1.28s/it] 997it [22:07, 1.28s/it] 998it [22:09, 1.27s/it] 999it [22:10, 1.29s/it] 1000it [22:11, 1.28s/it] 1000it [22:11, 1.33s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:14.764755 +⏰ Completed process in 0:22:12.227581 diff --git a/chunked/d4-dock_103.csv.gz b/chunked/d4-dock_103.csv.gz index 31b75d488702f60708b06be157f048e9a1ba4584..f419b6af0813a81e182bf5c1aec828bbd9291e3f 100644 --- a/chunked/d4-dock_103.csv.gz +++ b/chunked/d4-dock_103.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:6924693a0d80a71663a5b25c8675d4b67edc516d404056bc12ff5c9de45533f8 -size 29907551 +oid sha256:bb1623df949ee09feeaa498d580ae364929c33e0adb2b92dd5b79eb178117259 +size 29907539 diff --git a/chunked/d4-dock_103.log b/chunked/d4-dock_103.log index 85badec14ac23626f7cbdad5319f788cb0bd19a7..93951ceb211cf9d8de367befd117e429447b0d0a 100644 --- a/chunked/d4-dock_103.log +++ b/chunked/d4-dock_103.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.27s/it] 2it [00:02, 1.28s/it] 3it [00:03, 1.27s/it] 4it [00:05, 1.29s/it] 5it [00:06, 1.30s/it] 6it [00:07, 1.28s/it] 7it [00:08, 1.27s/it] 8it [00:10, 1.28s/it] 9it [00:11, 1.28s/it] 10it [00:12, 1.26s/it] 11it [00:13, 1.25s/it] 12it [00:15, 1.24s/it] 13it [00:16, 1.26s/it] 14it [00:17, 1.26s/it] 15it [00:19, 1.27s/it] 16it [00:20, 1.27s/it] 17it [00:21, 1.28s/it] 18it [00:22, 1.27s/it] 19it [00:24, 1.27s/it] 20it [00:25, 1.28s/it] 21it [00:26, 1.28s/it] 22it [00:27, 1.26s/it] 23it [00:29, 1.26s/it] 24it [00:30, 1.28s/it] 25it [00:31, 1.27s/it] 26it [00:33, 1.28s/it] 27it [00:34, 1.28s/it] 28it [00:35, 1.29s/it] 29it [00:36, 1.29s/it] 30it [00:38, 1.29s/it] 31it [00:39, 1.29s/it] 32it [00:40, 1.29s/it] 33it [00:42, 1.29s/it] 34it [00:43, 1.29s/it] 35it [00:44, 1.27s/it] 36it [00:45, 1.28s/it] 37it [00:47, 1.29s/it] 38it [00:48, 1.29s/it] 39it [00:49, 1.28s/it] 40it [00:51, 1.29s/it] 41it [00:52, 1.29s/it] 42it [00:53, 1.30s/it] 43it [00:54, 1.28s/it] 44it [00:56, 1.27s/it] 45it [00:57, 1.27s/it] 46it [00:58, 1.27s/it] 47it [01:00, 1.27s/it] 48it [01:01, 1.27s/it] 49it [01:02, 1.30s/it] 50it [01:03, 1.29s/it] 51it [01:05, 1.31s/it] 52it [01:06, 1.32s/it] 53it [01:07, 1.32s/it] 54it [01:09, 1.32s/it] 55it [01:10, 1.34s/it] 56it [01:11, 1.33s/it] 57it [01:13, 1.31s/it] 58it [01:14, 1.31s/it] 59it [01:15, 1.31s/it] 60it [01:17, 1.31s/it] 61it [01:18, 1.30s/it] 62it [01:19, 1.31s/it] 63it [01:21, 1.31s/it] 64it [01:22, 1.31s/it] 65it [01:23, 1.30s/it] 66it [01:24, 1.27s/it] 67it [01:26, 1.30s/it] 68it [01:27, 1.31s/it] 69it [01:28, 1.31s/it] 70it [01:30, 1.30s/it] 71it [01:31, 1.31s/it] 72it [01:32, 1.31s/it] 73it [01:34, 1.32s/it] 74it [01:35, 1.33s/it] 75it [01:36, 1.33s/it] 76it [01:38, 1.33s/it] 77it [01:39, 1.33s/it] 78it [01:40, 1.33s/it] 79it [01:42, 1.32s/it] 80it [01:43, 1.31s/it] 81it [01:44, 1.30s/it] 82it [01:45, 1.30s/it] 83it [01:47, 1.30s/it] 84it [01:48, 1.30s/it] 85it [01:49, 1.30s/it] 86it [01:51, 1.30s/it] 87it [01:52, 1.31s/it] 88it [01:53, 1.32s/it] 89it [01:55, 1.32s/it] 90it [01:56, 1.31s/it] 91it [01:57, 1.30s/it] 92it [01:59, 1.30s/it] 93it [02:00, 1.30s/it] 94it [02:01, 1.30s/it] 95it [02:02, 1.28s/it] 96it [02:04, 1.28s/it] 97it [02:05, 1.29s/it] 98it [02:06, 1.29s/it] 99it [02:08, 1.28s/it] 100it [02:09, 1.29s/it] 101it [02:10, 1.29s/it] 102it [02:11, 1.29s/it] 103it [02:13, 1.29s/it] 104it [02:14, 1.29s/it] 105it [02:15, 1.30s/it] 106it [02:17, 1.30s/it] 107it [02:18, 1.30s/it] 108it [02:19, 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[18:47, 1.34s/it] 855it [18:49, 1.33s/it] 856it [18:50, 1.32s/it] 857it [18:51, 1.31s/it] 858it [18:52, 1.29s/it] 859it [18:54, 1.28s/it] 860it [18:55, 1.27s/it] 861it [18:56, 1.30s/it] 862it [18:58, 1.32s/it] 863it [18:59, 1.33s/it] 864it [19:00, 1.34s/it] 865it [19:02, 1.34s/it] 866it [19:03, 1.36s/it] 867it [19:05, 1.37s/it] 868it [19:06, 1.37s/it] 869it [19:07, 1.38s/it] 870it [19:09, 1.38s/it] 871it [19:10, 1.38s/it] 872it [19:11, 1.38s/it] 873it [19:13, 1.39s/it] 874it [19:14, 1.41s/it] 875it [19:16, 1.41s/it] 876it [19:17, 1.39s/it] 877it [19:18, 1.38s/it] 878it [19:20, 1.36s/it] 879it [19:21, 1.37s/it] 880it [19:22, 1.37s/it] 881it [19:24, 1.37s/it] 882it [19:25, 1.35s/it] 883it [19:26, 1.34s/it] 884it [19:28, 1.33s/it] 885it [19:29, 1.36s/it] 886it [19:31, 1.35s/it] 887it [19:32, 1.35s/it] 888it [19:33, 1.35s/it] 889it [19:35, 1.35s/it] 890it [19:36, 1.36s/it] 891it [19:37, 1.36s/it] 892it [19:39, 1.36s/it] 893it [19:40, 1.35s/it] 894it [19:41, 1.35s/it] 895it [19:43, 1.33s/it] 896it [19:44, 1.34s/it] 897it [19:45, 1.35s/it] 898it [19:47, 1.34s/it] 899it [19:48, 1.33s/it] 900it [19:49, 1.31s/it] 901it [19:51, 1.31s/it] 902it [19:52, 1.32s/it] 903it [19:53, 1.33s/it] 904it [19:55, 1.34s/it] 905it [19:56, 1.36s/it] 906it [19:57, 1.33s/it] 907it [19:59, 1.30s/it] 908it [20:00, 1.29s/it] 909it [20:01, 1.31s/it] 910it [20:03, 1.33s/it] 911it [20:04, 1.34s/it] 912it [20:05, 1.32s/it] 913it [20:06, 1.30s/it] 914it [20:08, 1.31s/it] 915it [20:09, 1.30s/it] 916it [20:10, 1.29s/it] 917it [20:12, 1.30s/it] 918it [20:13, 1.32s/it] 919it [20:14, 1.33s/it] 920it [20:16, 1.33s/it] 921it [20:17, 1.33s/it] 922it [20:18, 1.34s/it] 923it [20:20, 1.33s/it] 924it [20:21, 1.32s/it] 925it [20:22, 1.34s/it] 926it [20:24, 1.34s/it] 927it [20:25, 1.35s/it] 928it [20:26, 1.33s/it] 929it [20:28, 1.34s/it] 930it [20:29, 1.34s/it] 931it [20:30, 1.35s/it] 932it [20:32, 1.34s/it] 933it [20:33, 1.32s/it] 934it [20:34, 1.32s/it] 935it [20:36, 1.32s/it] 936it [20:37, 1.33s/it] 937it [20:38, 1.33s/it] 938it [20:40, 1.34s/it] 939it [20:41, 1.33s/it] 940it [20:42, 1.32s/it] 941it [20:44, 1.32s/it] 942it [20:45, 1.32s/it] 943it [20:46, 1.31s/it] 944it [20:47, 1.30s/it] 945it [20:49, 1.30s/it] 946it [20:50, 1.30s/it] 947it [20:51, 1.30s/it] 948it [20:53, 1.30s/it] 949it [20:54, 1.30s/it] 950it [20:55, 1.30s/it] 951it [20:57, 1.31s/it] 952it [20:58, 1.30s/it] 953it [20:59, 1.31s/it] 954it [21:01, 1.31s/it] 955it [21:02, 1.30s/it] 956it [21:03, 1.29s/it] 957it [21:04, 1.29s/it] 958it [21:06, 1.27s/it] 959it [21:07, 1.27s/it] 960it [21:08, 1.28s/it] 961it [21:09, 1.29s/it] 962it [21:11, 1.29s/it] 963it [21:12, 1.30s/it] 964it [21:13, 1.32s/it] 965it [21:15, 1.32s/it] 966it [21:16, 1.32s/it] 967it [21:17, 1.30s/it] 968it [21:19, 1.29s/it] 969it [21:20, 1.29s/it] 970it [21:21, 1.29s/it] 971it [21:23, 1.30s/it] 972it [21:24, 1.30s/it] 973it [21:25, 1.28s/it] 974it [21:26, 1.27s/it] 975it [21:28, 1.26s/it] 976it [21:29, 1.25s/it] 977it [21:30, 1.27s/it] 978it [21:31, 1.28s/it] 979it [21:33, 1.27s/it] 980it [21:34, 1.28s/it] 981it [21:35, 1.28s/it] 982it [21:36, 1.28s/it] 983it [21:38, 1.27s/it] 984it [21:39, 1.27s/it] 985it [21:40, 1.27s/it] 986it [21:42, 1.27s/it] 987it [21:43, 1.27s/it] 988it [21:44, 1.26s/it] 989it [21:45, 1.26s/it] 990it [21:47, 1.26s/it] 991it [21:48, 1.24s/it] 992it [21:49, 1.24s/it] 993it [21:50, 1.23s/it] 994it [21:51, 1.23s/it] 995it [21:53, 1.24s/it] 996it [21:54, 1.24s/it] 997it [21:55, 1.24s/it] 998it [21:56, 1.25s/it] 999it [21:58, 1.26s/it] 1000it [21:59, 1.29s/it] 1000it [21:59, 1.32s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:38.076241 +⏰ Completed process in 0:22:00.111115 diff --git a/chunked/d4-dock_104.csv.gz b/chunked/d4-dock_104.csv.gz index 9510e08b94ba1af03bd34797cc4a9aa79f5de174..1820b6bcccce05269c526fe4575ca74096319b10 100644 --- a/chunked/d4-dock_104.csv.gz +++ b/chunked/d4-dock_104.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:7c70a726235565e18860072a31e2b4f39357af98c83517d375ea7a688766a26c -size 30460615 +oid sha256:24c09f0ee683f9aeea0f9169f76cc9ec0cd6efcc5c23a38a29a3f547dd947a25 +size 30460597 diff --git a/chunked/d4-dock_104.log b/chunked/d4-dock_104.log index 2b7e786ccbf497d0d321e4513e6912ea971cb117..fe283239c4dfd9a02a02d7a54c01607cfda55b41 100644 --- a/chunked/d4-dock_104.log +++ b/chunked/d4-dock_104.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.37s/it] 2it [00:02, 1.37s/it] 3it [00:04, 1.39s/it] 4it [00:05, 1.38s/it] 5it [00:06, 1.34s/it] 6it [00:08, 1.32s/it] 7it [00:09, 1.30s/it] 8it [00:10, 1.33s/it] 9it [00:12, 1.35s/it] 10it [00:13, 1.35s/it] 11it [00:14, 1.35s/it] 12it [00:16, 1.36s/it] 13it [00:17, 1.37s/it] 14it [00:18, 1.38s/it] 15it [00:20, 1.39s/it] 16it [00:21, 1.40s/it] 17it [00:23, 1.41s/it] 18it [00:24, 1.38s/it] 19it [00:25, 1.36s/it] 20it [00:27, 1.34s/it] 21it [00:28, 1.33s/it] 22it [00:29, 1.32s/it] 23it [00:31, 1.30s/it] 24it [00:32, 1.30s/it] 25it [00:33, 1.28s/it] 26it [00:34, 1.29s/it] 27it [00:36, 1.30s/it] 28it [00:37, 1.30s/it] 29it [00:38, 1.32s/it] 30it [00:40, 1.33s/it] 31it [00:41, 1.34s/it] 32it [00:42, 1.33s/it] 33it [00:44, 1.34s/it] 34it [00:45, 1.34s/it] 35it [00:46, 1.35s/it] 36it [00:48, 1.35s/it] 37it [00:49, 1.35s/it] 38it [00:51, 1.35s/it] 39it [00:52, 1.34s/it] 40it [00:53, 1.34s/it] 41it [00:54, 1.33s/it] 42it [00:56, 1.33s/it] 43it [00:57, 1.33s/it] 44it [00:58, 1.31s/it] 45it [01:00, 1.31s/it] 46it [01:01, 1.31s/it] 47it [01:02, 1.32s/it] 48it [01:04, 1.31s/it] 49it [01:05, 1.32s/it] 50it [01:06, 1.31s/it] 51it [01:08, 1.32s/it] 52it [01:09, 1.34s/it] 53it [01:10, 1.34s/it] 54it [01:12, 1.35s/it] 55it [01:13, 1.34s/it] 56it [01:14, 1.34s/it] 57it [01:16, 1.35s/it] 58it [01:17, 1.35s/it] 59it [01:18, 1.35s/it] 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1.37s/it] 890it [20:10, 1.38s/it] 891it [20:11, 1.37s/it] 892it [20:13, 1.38s/it] 893it [20:14, 1.38s/it] 894it [20:15, 1.38s/it] 895it [20:17, 1.38s/it] 896it [20:18, 1.38s/it] 897it [20:20, 1.39s/it] 898it [20:21, 1.40s/it] 899it [20:22, 1.41s/it] 900it [20:24, 1.39s/it] 901it [20:25, 1.38s/it] 902it [20:26, 1.38s/it] 903it [20:28, 1.39s/it] 904it [20:29, 1.39s/it] 905it [20:31, 1.38s/it] 906it [20:32, 1.37s/it] 907it [20:33, 1.35s/it] 908it [20:35, 1.35s/it] 909it [20:36, 1.36s/it] 910it [20:37, 1.37s/it] 911it [20:39, 1.38s/it] 912it [20:40, 1.41s/it] 913it [20:42, 1.40s/it] 914it [20:43, 1.39s/it] 915it [20:44, 1.39s/it] 916it [20:46, 1.38s/it] 917it [20:47, 1.38s/it] 918it [20:48, 1.37s/it] 919it [20:50, 1.36s/it] 920it [20:51, 1.36s/it] 921it [20:53, 1.36s/it] 922it [20:54, 1.37s/it] 923it [20:55, 1.38s/it] 924it [20:57, 1.37s/it] 925it [20:58, 1.35s/it] 926it [20:59, 1.34s/it] 927it [21:01, 1.35s/it] 928it [21:02, 1.36s/it] 929it [21:03, 1.35s/it] 930it [21:05, 1.35s/it] 931it [21:06, 1.36s/it] 932it [21:08, 1.38s/it] 933it [21:09, 1.39s/it] 934it [21:10, 1.39s/it] 935it [21:12, 1.39s/it] 936it [21:13, 1.37s/it] 937it [21:14, 1.36s/it] 938it [21:16, 1.37s/it] 939it [21:17, 1.37s/it] 940it [21:19, 1.37s/it] 941it [21:20, 1.35s/it] 942it [21:21, 1.33s/it] 943it [21:23, 1.35s/it] 944it [21:24, 1.35s/it] 945it [21:25, 1.35s/it] 946it [21:27, 1.35s/it] 947it [21:28, 1.36s/it] 948it [21:29, 1.36s/it] 949it [21:31, 1.38s/it] 950it [21:32, 1.36s/it] 951it [21:33, 1.35s/it] 952it [21:35, 1.34s/it] 953it [21:36, 1.35s/it] 954it [21:37, 1.35s/it] 955it [21:39, 1.37s/it] 956it [21:40, 1.38s/it] 957it [21:42, 1.38s/it] 958it [21:43, 1.38s/it] 959it [21:44, 1.37s/it] 960it [21:46, 1.38s/it] 961it [21:47, 1.39s/it] 962it [21:49, 1.40s/it] 963it [21:50, 1.39s/it] 964it [21:51, 1.39s/it] 965it [21:53, 1.38s/it] 966it [21:54, 1.37s/it] 967it [21:55, 1.36s/it] 968it [21:57, 1.35s/it] 969it [21:58, 1.35s/it] 970it [21:59, 1.35s/it] 971it [22:01, 1.34s/it] 972it [22:02, 1.33s/it] 973it [22:03, 1.33s/it] 974it [22:05, 1.34s/it] 975it [22:06, 1.35s/it] 976it [22:07, 1.34s/it] 977it [22:09, 1.32s/it] 978it [22:10, 1.32s/it] 979it [22:11, 1.32s/it] 980it [22:13, 1.31s/it] 981it [22:14, 1.30s/it] 982it [22:15, 1.30s/it] 983it [22:16, 1.29s/it] 984it [22:18, 1.28s/it] 985it [22:19, 1.29s/it] 986it [22:20, 1.29s/it] 987it [22:22, 1.30s/it] 988it [22:23, 1.30s/it] 989it [22:24, 1.31s/it] 990it [22:26, 1.30s/it] 991it [22:27, 1.30s/it] 992it [22:28, 1.30s/it] 993it [22:29, 1.30s/it] 994it [22:31, 1.30s/it] 995it [22:32, 1.29s/it] 996it [22:33, 1.29s/it] 997it [22:35, 1.29s/it] 998it [22:36, 1.29s/it] 999it [22:37, 1.30s/it] 1000it [22:38, 1.30s/it] 1000it [22:38, 1.36s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:41.777296 +⏰ Completed process in 0:22:39.536203 diff --git a/chunked/d4-dock_105.csv.gz b/chunked/d4-dock_105.csv.gz index 84e20665a280fcbb4e85929d924d50f498cd61ec..530dad133b4c643833b28a6113eb7edbb431fb77 100644 --- a/chunked/d4-dock_105.csv.gz +++ b/chunked/d4-dock_105.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:b6759c65d52f2cfc2aca2f8196e28e4bf21c7833c155f281c641f88377c7b60a -size 30646789 +oid sha256:9c2e21afc2bbde35169f6472d602d3b32b59c7574834c2a86a98fef4908b7448 +size 30646771 diff --git a/chunked/d4-dock_105.log b/chunked/d4-dock_105.log index 7c965452c7111ce381106a0890c5c85e9fc032e4..fd4ab6de7f0beabe025a0b6316309dc2d58be731 100644 --- a/chunked/d4-dock_105.log +++ b/chunked/d4-dock_105.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.39s/it] 2it [00:02, 1.37s/it] 3it [00:04, 1.38s/it] 4it [00:05, 1.38s/it] 5it [00:06, 1.37s/it] 6it [00:08, 1.36s/it] 7it [00:09, 1.36s/it] 8it [00:10, 1.36s/it] 9it [00:12, 1.38s/it] 10it [00:13, 1.38s/it] 11it [00:15, 1.37s/it] 12it [00:16, 1.36s/it] 13it [00:17, 1.36s/it] 14it [00:19, 1.36s/it] 15it [00:20, 1.35s/it] 16it [00:21, 1.35s/it] 17it [00:23, 1.35s/it] 18it [00:24, 1.34s/it] 19it [00:25, 1.36s/it] 20it [00:27, 1.36s/it] 21it [00:28, 1.36s/it] 22it [00:29, 1.36s/it] 23it [00:31, 1.37s/it] 24it [00:32, 1.37s/it] 25it [00:34, 1.36s/it] 26it [00:35, 1.34s/it] 27it [00:36, 1.33s/it] 28it [00:38, 1.34s/it] 29it [00:39, 1.34s/it] 30it [00:40, 1.35s/it] 31it [00:42, 1.35s/it] 32it [00:43, 1.36s/it] 33it [00:44, 1.34s/it] 34it [00:46, 1.32s/it] 35it [00:47, 1.30s/it] 36it [00:48, 1.29s/it] 37it [00:49, 1.31s/it] 38it [00:51, 1.34s/it] 39it [00:52, 1.33s/it] 40it [00:53, 1.33s/it] 41it [00:55, 1.32s/it] 42it [00:56, 1.32s/it] 43it [00:57, 1.33s/it] 44it [00:59, 1.36s/it] 45it [01:00, 1.37s/it] 46it [01:02, 1.39s/it] 47it [01:03, 1.40s/it] 48it [01:05, 1.41s/it] 49it [01:06, 1.38s/it] 50it [01:07, 1.37s/it] 51it [01:09, 1.37s/it] 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1.34s/it] 883it [19:36, 1.33s/it] 884it [19:38, 1.32s/it] 885it [19:39, 1.30s/it] 886it [19:40, 1.27s/it] 887it [19:41, 1.27s/it] 888it [19:43, 1.27s/it] 889it [19:44, 1.27s/it] 890it [19:45, 1.27s/it] 891it [19:47, 1.30s/it] 892it [19:48, 1.31s/it] 893it [19:49, 1.31s/it] 894it [19:51, 1.30s/it] 895it [19:52, 1.34s/it] 896it [19:53, 1.37s/it] 897it [19:55, 1.37s/it] 898it [19:56, 1.36s/it] 899it [19:57, 1.36s/it] 900it [19:59, 1.36s/it] 901it [20:00, 1.35s/it] 902it [20:01, 1.34s/it] 903it [20:03, 1.35s/it] 904it [20:04, 1.35s/it] 905it [20:06, 1.35s/it] 906it [20:07, 1.34s/it] 907it [20:08, 1.34s/it] 908it [20:10, 1.35s/it] 909it [20:11, 1.35s/it] 910it [20:12, 1.34s/it] 911it [20:14, 1.36s/it] 912it [20:15, 1.36s/it] 913it [20:16, 1.36s/it] 914it [20:18, 1.36s/it] 915it [20:19, 1.36s/it] 916it [20:20, 1.36s/it] 917it [20:22, 1.36s/it] 918it [20:23, 1.36s/it] 919it [20:25, 1.36s/it] 920it [20:26, 1.36s/it] 921it [20:27, 1.36s/it] 922it [20:29, 1.37s/it] 923it [20:30, 1.36s/it] 924it [20:31, 1.37s/it] 925it [20:33, 1.37s/it] 926it [20:34, 1.36s/it] 927it [20:35, 1.36s/it] 928it [20:37, 1.37s/it] 929it [20:38, 1.36s/it] 930it [20:39, 1.36s/it] 931it [20:41, 1.35s/it] 932it [20:42, 1.36s/it] 933it [20:44, 1.35s/it] 934it [20:45, 1.35s/it] 935it [20:46, 1.37s/it] 936it [20:48, 1.37s/it] 937it [20:49, 1.38s/it] 938it [20:50, 1.38s/it] 939it [20:52, 1.39s/it] 940it [20:53, 1.39s/it] 941it [20:55, 1.38s/it] 942it [20:56, 1.38s/it] 943it [20:57, 1.38s/it] 944it [20:59, 1.38s/it] 945it [21:00, 1.38s/it] 946it [21:02, 1.37s/it] 947it [21:03, 1.37s/it] 948it [21:04, 1.36s/it] 949it [21:06, 1.36s/it] 950it [21:07, 1.36s/it] 951it [21:08, 1.35s/it] 952it [21:10, 1.35s/it] 953it [21:11, 1.36s/it] 954it [21:12, 1.36s/it] 955it [21:14, 1.36s/it] 956it [21:15, 1.36s/it] 957it [21:16, 1.36s/it] 958it [21:18, 1.35s/it] 959it [21:19, 1.35s/it] 960it [21:20, 1.35s/it] 961it [21:22, 1.35s/it] 962it [21:23, 1.36s/it] 963it [21:25, 1.37s/it] 964it [21:26, 1.36s/it] 965it [21:27, 1.36s/it] 966it [21:29, 1.36s/it] 967it [21:30, 1.35s/it] 968it [21:31, 1.36s/it] 969it [21:33, 1.36s/it] 970it [21:34, 1.35s/it] 971it [21:35, 1.35s/it] 972it [21:37, 1.35s/it] 973it [21:38, 1.35s/it] 974it [21:39, 1.36s/it] 975it [21:41, 1.35s/it] 976it [21:42, 1.36s/it] 977it [21:44, 1.36s/it] 978it [21:45, 1.36s/it] 979it [21:46, 1.37s/it] 980it [21:48, 1.37s/it] 981it [21:49, 1.37s/it] 982it [21:50, 1.37s/it] 983it [21:52, 1.36s/it] 984it [21:53, 1.36s/it] 985it [21:54, 1.36s/it] 986it [21:56, 1.37s/it] 987it [21:57, 1.36s/it] 988it [21:59, 1.35s/it] 989it [22:00, 1.35s/it] 990it [22:01, 1.36s/it] 991it [22:03, 1.35s/it] 992it [22:04, 1.35s/it] 993it [22:05, 1.35s/it] 994it [22:07, 1.35s/it] 995it [22:08, 1.35s/it] 996it [22:09, 1.35s/it] 997it [22:11, 1.36s/it] 998it [22:12, 1.36s/it] 999it [22:13, 1.36s/it] 1000it [22:15, 1.34s/it] 1000it [22:15, 1.34s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:01.423345 +⏰ Completed process in 0:22:15.789355 diff --git a/chunked/d4-dock_106.csv.gz b/chunked/d4-dock_106.csv.gz index c955969c1f8d44b03ee6bc416bf026f2c74d866a..78336c4cb0466f5fa468472751991d60e9234e86 100644 --- a/chunked/d4-dock_106.csv.gz +++ b/chunked/d4-dock_106.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:036c04aa2376c9f8203a75047218ea5dfab48f2333f7d4827a361796daeb02ac -size 30283566 +oid sha256:83f59cf5b872e450d039e9630c888fdc78373960ce7a1361736fa7ad559200b4 +size 30283567 diff --git a/chunked/d4-dock_106.log b/chunked/d4-dock_106.log index af5b1989f62ed72939e60cfd5b65851818435061..f50984263151a44d531b29e2085db55f0708784b 100644 --- a/chunked/d4-dock_106.log +++ b/chunked/d4-dock_106.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.33s/it] 2it [00:02, 1.35s/it] 3it [00:04, 1.35s/it] 4it [00:05, 1.35s/it] 5it [00:06, 1.37s/it] 6it [00:08, 1.38s/it] 7it [00:09, 1.37s/it] 8it [00:10, 1.37s/it] 9it [00:12, 1.36s/it] 10it [00:13, 1.36s/it] 11it [00:15, 1.37s/it] 12it [00:16, 1.39s/it] 13it [00:17, 1.39s/it] 14it [00:19, 1.39s/it] 15it [00:20, 1.39s/it] 16it [00:22, 1.39s/it] 17it [00:23, 1.40s/it] 18it [00:24, 1.39s/it] 19it [00:26, 1.38s/it] 20it [00:27, 1.36s/it] 21it [00:28, 1.33s/it] 22it [00:30, 1.35s/it] 23it [00:31, 1.34s/it] 24it [00:32, 1.34s/it] 25it [00:34, 1.35s/it] 26it [00:35, 1.35s/it] 27it [00:36, 1.35s/it] 28it [00:38, 1.36s/it] 29it [00:39, 1.35s/it] 30it [00:40, 1.33s/it] 31it [00:42, 1.32s/it] 32it [00:43, 1.31s/it] 33it [00:44, 1.30s/it] 34it [00:46, 1.31s/it] 35it [00:47, 1.33s/it] 36it [00:48, 1.35s/it] 37it [00:50, 1.36s/it] 38it [00:51, 1.35s/it] 39it [00:52, 1.34s/it] 40it [00:54, 1.35s/it] 41it [00:55, 1.36s/it] 42it [00:56, 1.36s/it] 43it [00:58, 1.34s/it] 44it [00:59, 1.33s/it] 45it [01:00, 1.33s/it] 46it [01:02, 1.32s/it] 47it 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1.37s/it] 920it [20:19, 1.37s/it] 921it [20:20, 1.36s/it] 922it [20:21, 1.36s/it] 923it [20:23, 1.36s/it] 924it [20:24, 1.37s/it] 925it [20:25, 1.37s/it] 926it [20:27, 1.36s/it] 927it [20:28, 1.37s/it] 928it [20:29, 1.36s/it] 929it [20:31, 1.35s/it] 930it [20:32, 1.35s/it] 931it [20:33, 1.35s/it] 932it [20:35, 1.33s/it] 933it [20:36, 1.33s/it] 934it [20:37, 1.31s/it] 935it [20:39, 1.30s/it] 936it [20:40, 1.31s/it] 937it [20:41, 1.31s/it] 938it [20:43, 1.32s/it] 939it [20:44, 1.34s/it] 940it [20:45, 1.34s/it] 941it [20:47, 1.34s/it] 942it [20:48, 1.35s/it] 943it [20:49, 1.36s/it] 944it [20:51, 1.35s/it] 945it [20:52, 1.35s/it] 946it [20:53, 1.35s/it] 947it [20:55, 1.34s/it] 948it [20:56, 1.34s/it] 949it [20:58, 1.35s/it] 950it [20:59, 1.36s/it] 951it [21:00, 1.36s/it] 952it [21:02, 1.35s/it] 953it [21:03, 1.35s/it] 954it [21:04, 1.36s/it] 955it [21:06, 1.35s/it] 956it [21:07, 1.35s/it] 957it [21:08, 1.35s/it] 958it [21:10, 1.35s/it] 959it [21:11, 1.35s/it] 960it [21:12, 1.34s/it] 961it [21:14, 1.33s/it] 962it [21:15, 1.33s/it] 963it [21:16, 1.33s/it] 964it [21:18, 1.33s/it] 965it [21:19, 1.34s/it] 966it [21:20, 1.34s/it] 967it [21:22, 1.33s/it] 968it [21:23, 1.33s/it] 969it [21:24, 1.33s/it] 970it [21:26, 1.34s/it] 971it [21:27, 1.35s/it] 972it [21:28, 1.35s/it] 973it [21:30, 1.36s/it] 974it [21:31, 1.36s/it] 975it [21:33, 1.36s/it] 976it [21:34, 1.37s/it] 977it [21:35, 1.36s/it] 978it [21:37, 1.37s/it] 979it [21:38, 1.36s/it] 980it [21:39, 1.37s/it] 981it [21:41, 1.36s/it] 982it [21:42, 1.36s/it] 983it [21:43, 1.35s/it] 984it [21:45, 1.35s/it] 985it [21:46, 1.35s/it] 986it [21:47, 1.33s/it] 987it [21:49, 1.31s/it] 988it [21:50, 1.32s/it] 989it [21:51, 1.32s/it] 990it [21:53, 1.33s/it] 991it [21:54, 1.34s/it] 992it [21:55, 1.33s/it] 993it [21:57, 1.33s/it] 994it [21:58, 1.33s/it] 995it [21:59, 1.34s/it] 996it [22:01, 1.35s/it] 997it [22:02, 1.35s/it] 998it [22:03, 1.35s/it] 999it [22:05, 1.35s/it] 1000it [22:06, 1.35s/it] 1000it [22:06, 1.33s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:21.557067 +⏰ Completed process in 0:22:07.168185 diff --git a/chunked/d4-dock_107.csv.gz b/chunked/d4-dock_107.csv.gz index cde458c17e919b5e744f53d97967b84cd6c29610..75242aa5e9c5b5a6a95fe76be0adb2de71d6b055 100644 --- a/chunked/d4-dock_107.csv.gz +++ b/chunked/d4-dock_107.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:44466a3183eab8fb004391f1cb2c8ef4986a378eb0b37c5f52569205b16920e9 -size 30270722 +oid sha256:0ecc9aab1c9ea8cce949b230b222b92f7a2bb51553edaee2c19e8f9a2d2ba749 +size 30270706 diff --git a/chunked/d4-dock_107.log b/chunked/d4-dock_107.log index 221d650644c6e52f2da3a227bc3e87101bcfbae3..7d8f180ac7263fc104a2edd27e5a31081772bdee 100644 --- a/chunked/d4-dock_107.log +++ b/chunked/d4-dock_107.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.29s/it] 2it [00:02, 1.29s/it] 3it [00:03, 1.29s/it] 4it [00:05, 1.28s/it] 5it [00:06, 1.28s/it] 6it [00:07, 1.28s/it] 7it [00:08, 1.28s/it] 8it [00:10, 1.27s/it] 9it [00:11, 1.28s/it] 10it [00:12, 1.28s/it] 11it [00:14, 1.28s/it] 12it [00:15, 1.28s/it] 13it [00:16, 1.28s/it] 14it [00:17, 1.29s/it] 15it [00:19, 1.30s/it] 16it [00:20, 1.30s/it] 17it [00:21, 1.31s/it] 18it [00:23, 1.31s/it] 19it [00:24, 1.31s/it] 20it [00:25, 1.30s/it] 21it [00:27, 1.30s/it] 22it [00:28, 1.30s/it] 23it [00:29, 1.30s/it] 24it [00:31, 1.30s/it] 25it [00:32, 1.31s/it] 26it [00:33, 1.31s/it] 27it [00:34, 1.31s/it] 28it [00:36, 1.31s/it] 29it [00:37, 1.32s/it] 30it [00:38, 1.32s/it] 31it [00:40, 1.31s/it] 32it [00:41, 1.30s/it] 33it [00:42, 1.28s/it] 34it [00:44, 1.27s/it] 35it [00:45, 1.26s/it] 36it [00:46, 1.25s/it] 37it [00:47, 1.25s/it] 38it [00:49, 1.26s/it] 39it [00:50, 1.27s/it] 40it [00:51, 1.28s/it] 41it [00:52, 1.28s/it] 42it [00:54, 1.29s/it] 43it [00:55, 1.29s/it] 44it [00:56, 1.29s/it] 45it [00:58, 1.30s/it] 46it [00:59, 1.31s/it] 47it [01:00, 1.31s/it] 48it [01:02, 1.29s/it] 49it [01:03, 1.29s/it] 50it [01:04, 1.32s/it] 51it [01:06, 1.32s/it] 52it [01:07, 1.34s/it] 53it [01:08, 1.33s/it] 54it [01:10, 1.32s/it] 55it [01:11, 1.31s/it] 56it [01:12, 1.32s/it] 57it [01:13, 1.32s/it] 58it [01:15, 1.32s/it] 59it [01:16, 1.31s/it] 60it [01:17, 1.30s/it] 61it [01:19, 1.29s/it] 62it [01:20, 1.28s/it] 63it [01:21, 1.32s/it] 64it [01:23, 1.33s/it] 65it [01:24, 1.34s/it] 66it [01:25, 1.35s/it] 67it [01:27, 1.34s/it] 68it [01:28, 1.34s/it] 69it [01:29, 1.34s/it] 70it [01:31, 1.34s/it] 71it [01:32, 1.34s/it] 72it [01:33, 1.33s/it] 73it [01:35, 1.32s/it] 74it [01:36, 1.32s/it] 75it [01:37, 1.33s/it] 76it [01:39, 1.34s/it] 77it [01:40, 1.34s/it] 78it [01:41, 1.33s/it] 79it [01:43, 1.32s/it] 80it [01:44, 1.29s/it] 81it [01:45, 1.28s/it] 82it [01:46, 1.29s/it] 83it [01:48, 1.30s/it] 84it [01:49, 1.29s/it] 85it [01:50, 1.29s/it] 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[02:46, 1.26s/it] 129it [02:48, 1.24s/it] 130it [02:49, 1.25s/it] 131it [02:50, 1.26s/it] 132it [02:51, 1.28s/it] 133it [02:53, 1.27s/it] 134it [02:54, 1.26s/it] 135it [02:55, 1.25s/it] 136it [02:56, 1.20s/it] 137it [02:58, 1.22s/it] 138it [02:59, 1.23s/it] 139it [03:00, 1.23s/it] 140it [03:01, 1.23s/it] 141it [03:03, 1.24s/it] 142it [03:04, 1.24s/it] 143it [03:05, 1.25s/it] 144it [03:06, 1.26s/it] 145it [03:08, 1.27s/it] 146it [03:09, 1.29s/it] 147it [03:10, 1.30s/it] 148it [03:12, 1.31s/it] 149it [03:13, 1.31s/it] 150it [03:14, 1.32s/it] 151it [03:16, 1.32s/it] 152it [03:17, 1.32s/it] 153it [03:18, 1.30s/it] 154it [03:19, 1.30s/it] 155it [03:21, 1.30s/it] 156it [03:22, 1.30s/it] 157it [03:23, 1.31s/it] 158it [03:25, 1.31s/it] 159it [03:26, 1.30s/it] 160it [03:27, 1.31s/it] 161it [03:29, 1.31s/it] 162it [03:30, 1.31s/it] 163it [03:31, 1.31s/it] 164it [03:33, 1.31s/it] 165it [03:34, 1.31s/it] 166it [03:35, 1.32s/it] 167it [03:37, 1.32s/it] 168it [03:38, 1.31s/it] 169it [03:39, 1.31s/it] 170it [03:40, 1.31s/it] 171it [03:42, 1.31s/it] 172it [03:43, 1.31s/it] 173it [03:44, 1.31s/it] 174it [03:46, 1.31s/it] 175it [03:47, 1.31s/it] 176it [03:48, 1.32s/it] 177it [03:50, 1.31s/it] 178it [03:51, 1.31s/it] 179it [03:52, 1.31s/it] 180it [03:54, 1.30s/it] 181it [03:55, 1.31s/it] 182it [03:56, 1.30s/it] 183it [03:57, 1.30s/it] 184it [03:59, 1.29s/it] 185it [04:00, 1.30s/it] 186it [04:01, 1.31s/it] 187it [04:03, 1.30s/it] 188it [04:04, 1.31s/it] 189it [04:05, 1.32s/it] 190it [04:07, 1.32s/it] 191it [04:08, 1.32s/it] 192it [04:09, 1.32s/it] 193it [04:11, 1.31s/it] 194it [04:12, 1.32s/it] 195it [04:13, 1.32s/it] 196it [04:14, 1.31s/it] 197it [04:16, 1.30s/it] 198it [04:17, 1.30s/it] 199it [04:18, 1.29s/it] 200it [04:20, 1.30s/it] 201it [04:21, 1.29s/it] 202it [04:22, 1.30s/it] 203it [04:24, 1.30s/it] 204it [04:25, 1.28s/it] 205it [04:26, 1.28s/it] 206it [04:27, 1.27s/it] 207it [04:29, 1.28s/it] 208it [04:30, 1.30s/it] 209it [04:31, 1.29s/it] 210it [04:32, 1.28s/it] 211it [04:34, 1.30s/it] 212it [04:35, 1.31s/it] 213it [04:37, 1.33s/it] 214it [04:38, 1.33s/it] 215it [04:39, 1.32s/it] 216it [04:40, 1.32s/it] 217it [04:42, 1.31s/it] 218it [04:43, 1.29s/it] 219it [04:44, 1.29s/it] 220it [04:46, 1.28s/it] 221it [04:47, 1.27s/it] 222it [04:48, 1.27s/it] 223it [04:49, 1.27s/it] 224it [04:51, 1.27s/it] 225it [04:52, 1.27s/it] 226it [04:53, 1.26s/it] 227it [04:54, 1.26s/it] 228it [04:56, 1.26s/it] 229it [04:57, 1.27s/it] 230it [04:58, 1.29s/it] 231it [05:00, 1.29s/it] 232it [05:01, 1.28s/it] 233it [05:02, 1.30s/it] 234it [05:04, 1.32s/it] 235it [05:05, 1.34s/it] 236it [05:06, 1.34s/it] 237it [05:08, 1.34s/it] 238it [05:09, 1.35s/it] 239it [05:10, 1.36s/it] 240it [05:12, 1.33s/it] 241it [05:13, 1.33s/it] 242it [05:14, 1.32s/it] 243it [05:16, 1.31s/it] 244it [05:17, 1.32s/it] 245it [05:18, 1.32s/it] 246it [05:20, 1.32s/it] 247it [05:21, 1.32s/it] 248it [05:22, 1.33s/it] 249it [05:24, 1.33s/it] 250it [05:25, 1.34s/it] 251it [05:26, 1.33s/it] 252it [05:27, 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1.38s/it] 708it [15:58, 1.38s/it] 709it [15:59, 1.37s/it] 710it [16:01, 1.37s/it] 711it [16:02, 1.36s/it] 712it [16:03, 1.37s/it] 713it [16:05, 1.37s/it] 714it [16:06, 1.35s/it] 715it [16:07, 1.34s/it] 716it [16:09, 1.36s/it] 717it [16:10, 1.37s/it] 718it [16:11, 1.37s/it] 719it [16:13, 1.37s/it] 720it [16:14, 1.38s/it] 721it [16:16, 1.38s/it] 722it [16:17, 1.38s/it] 723it [16:18, 1.38s/it] 724it [16:20, 1.37s/it] 725it [16:21, 1.37s/it] 726it [16:22, 1.35s/it] 727it [16:24, 1.35s/it] 728it [16:25, 1.35s/it] 729it [16:26, 1.34s/it] 730it [16:28, 1.34s/it] 731it [16:29, 1.35s/it] 732it [16:30, 1.35s/it] 733it [16:32, 1.36s/it] 734it [16:33, 1.36s/it] 735it [16:34, 1.33s/it] 736it [16:36, 1.32s/it] 737it [16:37, 1.32s/it] 738it [16:38, 1.32s/it] 739it [16:40, 1.33s/it] 740it [16:41, 1.33s/it] 741it [16:42, 1.33s/it] 742it [16:44, 1.34s/it] 743it [16:45, 1.33s/it] 744it [16:46, 1.34s/it] 745it [16:48, 1.34s/it] 746it [16:49, 1.34s/it] 747it [16:50, 1.33s/it] 748it [16:52, 1.32s/it] 749it 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1.36s/it] 791it [17:49, 1.36s/it] 792it [17:50, 1.36s/it] 793it [17:52, 1.37s/it] 794it [17:53, 1.39s/it] 795it [17:55, 1.38s/it] 796it [17:56, 1.35s/it] 797it [17:57, 1.33s/it] 798it [17:58, 1.33s/it] 799it [18:00, 1.32s/it] 800it [18:01, 1.32s/it] 801it [18:02, 1.33s/it] 802it [18:04, 1.33s/it] 803it [18:05, 1.32s/it] 804it [18:06, 1.33s/it] 805it [18:08, 1.33s/it] 806it [18:09, 1.34s/it] 807it [18:10, 1.31s/it] 808it [18:12, 1.29s/it] 809it [18:13, 1.28s/it] 810it [18:14, 1.28s/it] 811it [18:15, 1.29s/it] 812it [18:17, 1.31s/it] 813it [18:18, 1.32s/it] 814it [18:19, 1.33s/it] 815it [18:21, 1.32s/it] 816it [18:22, 1.31s/it] 817it [18:23, 1.31s/it] 818it [18:25, 1.32s/it] 819it [18:26, 1.34s/it] 820it [18:28, 1.36s/it] 821it [18:29, 1.36s/it] 822it [18:30, 1.36s/it] 823it [18:32, 1.34s/it] 824it [18:33, 1.34s/it] 825it [18:34, 1.36s/it] 826it [18:36, 1.36s/it] 827it [18:37, 1.37s/it] 828it [18:38, 1.35s/it] 829it [18:40, 1.34s/it] 830it [18:41, 1.33s/it] 831it [18:42, 1.31s/it] 832it 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1.30s/it] 874it [19:39, 1.31s/it] 875it [19:40, 1.33s/it] 876it [19:42, 1.33s/it] 877it [19:43, 1.30s/it] 878it [19:44, 1.28s/it] 879it [19:46, 1.28s/it] 880it [19:47, 1.26s/it] 881it [19:48, 1.27s/it] 882it [19:49, 1.29s/it] 883it [19:51, 1.30s/it] 884it [19:52, 1.30s/it] 885it [19:53, 1.30s/it] 886it [19:55, 1.30s/it] 887it [19:56, 1.33s/it] 888it [19:57, 1.34s/it] 889it [19:59, 1.34s/it] 890it [20:00, 1.33s/it] 891it [20:01, 1.32s/it] 892it [20:03, 1.31s/it] 893it [20:04, 1.29s/it] 894it [20:05, 1.29s/it] 895it [20:06, 1.29s/it] 896it [20:08, 1.29s/it] 897it [20:09, 1.31s/it] 898it [20:10, 1.34s/it] 899it [20:12, 1.33s/it] 900it [20:13, 1.34s/it] 901it [20:14, 1.34s/it] 902it [20:16, 1.34s/it] 903it [20:17, 1.34s/it] 904it [20:19, 1.35s/it] 905it [20:20, 1.34s/it] 906it [20:21, 1.34s/it] 907it [20:23, 1.34s/it] 908it [20:24, 1.35s/it] 909it [20:25, 1.34s/it] 910it [20:27, 1.36s/it] 911it [20:28, 1.35s/it] 912it [20:29, 1.35s/it] 913it [20:31, 1.36s/it] 914it [20:32, 1.35s/it] 915it [20:33, 1.35s/it] 916it [20:35, 1.36s/it] 917it [20:36, 1.36s/it] 918it [20:37, 1.36s/it] 919it [20:39, 1.37s/it] 920it [20:40, 1.39s/it] 921it [20:42, 1.40s/it] 922it [20:43, 1.40s/it] 923it [20:44, 1.37s/it] 924it [20:46, 1.37s/it] 925it [20:47, 1.36s/it] 926it [20:48, 1.37s/it] 927it [20:50, 1.36s/it] 928it [20:51, 1.36s/it] 929it [20:53, 1.34s/it] 930it [20:54, 1.35s/it] 931it [20:55, 1.34s/it] 932it [20:56, 1.33s/it] 933it [20:58, 1.32s/it] 934it [20:59, 1.33s/it] 935it [21:00, 1.34s/it] 936it [21:02, 1.35s/it] 937it [21:03, 1.35s/it] 938it [21:05, 1.34s/it] 939it [21:06, 1.33s/it] 940it [21:07, 1.34s/it] 941it [21:09, 1.34s/it] 942it [21:10, 1.35s/it] 943it [21:11, 1.36s/it] 944it [21:13, 1.37s/it] 945it [21:14, 1.36s/it] 946it [21:15, 1.36s/it] 947it [21:17, 1.33s/it] 948it [21:18, 1.33s/it] 949it [21:19, 1.34s/it] 950it [21:21, 1.34s/it] 951it [21:22, 1.34s/it] 952it [21:23, 1.35s/it] 953it [21:25, 1.36s/it] 954it [21:26, 1.34s/it] 955it [21:27, 1.35s/it] 956it [21:29, 1.36s/it] 957it [21:30, 1.35s/it] 958it [21:32, 1.35s/it] 959it [21:33, 1.33s/it] 960it [21:34, 1.33s/it] 961it [21:36, 1.34s/it] 962it [21:37, 1.33s/it] 963it [21:38, 1.32s/it] 964it [21:39, 1.32s/it] 965it [21:41, 1.32s/it] 966it [21:42, 1.33s/it] 967it [21:43, 1.33s/it] 968it [21:45, 1.32s/it] 969it [21:46, 1.32s/it] 970it [21:47, 1.34s/it] 971it [21:49, 1.35s/it] 972it [21:50, 1.36s/it] 973it [21:52, 1.37s/it] 974it [21:53, 1.38s/it] 975it [21:54, 1.37s/it] 976it [21:56, 1.38s/it] 977it [21:57, 1.36s/it] 978it [21:58, 1.35s/it] 979it [22:00, 1.35s/it] 980it [22:01, 1.35s/it] 981it [22:02, 1.36s/it] 982it [22:04, 1.36s/it] 983it [22:05, 1.36s/it] 984it [22:06, 1.35s/it] 985it [22:08, 1.36s/it] 986it [22:09, 1.35s/it] 987it [22:11, 1.35s/it] 988it [22:12, 1.35s/it] 989it [22:13, 1.34s/it] 990it [22:15, 1.34s/it] 991it [22:16, 1.33s/it] 992it [22:17, 1.33s/it] 993it [22:18, 1.31s/it] 994it [22:20, 1.31s/it] 995it [22:21, 1.31s/it] 996it [22:22, 1.33s/it] 997it [22:24, 1.33s/it] 998it [22:25, 1.34s/it] 999it [22:26, 1.34s/it] 1000it [22:28, 1.34s/it] 1000it [22:28, 1.35s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:21:36.853703 +⏰ Completed process in 0:22:28.798221 diff --git a/chunked/d4-dock_108.csv.gz b/chunked/d4-dock_108.csv.gz index f0e15e9105bc950a49b7493ef5d07ccedd6ea528..7f685548d6e7509511a69e5612d45e0339a4144b 100644 --- a/chunked/d4-dock_108.csv.gz +++ b/chunked/d4-dock_108.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:2f97ba47f8d715ae871f2d9321abc9863a23894f4ab0b07dbe6ab4b64c9d09d3 -size 30090946 +oid sha256:d7e4759cbf892e0390c718f8c2096d59502a89598eb697d35dbc40ad37a22cab +size 30090948 diff --git a/chunked/d4-dock_108.log b/chunked/d4-dock_108.log index df810f47d386d4d7529986558ca96b963617ac2d..f5b1160996566a573377760186ebdd5ea379a89c 100644 --- a/chunked/d4-dock_108.log +++ b/chunked/d4-dock_108.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.34s/it] 2it [00:02, 1.36s/it] 3it [00:04, 1.36s/it] 4it [00:05, 1.37s/it] 5it [00:06, 1.38s/it] 6it [00:08, 1.38s/it] 7it [00:09, 1.37s/it] 8it [00:10, 1.37s/it] 9it [00:12, 1.38s/it] 10it [00:13, 1.38s/it] 11it [00:15, 1.39s/it] 12it [00:16, 1.40s/it] 13it [00:17, 1.40s/it] 14it [00:19, 1.39s/it] 15it [00:20, 1.38s/it] 16it [00:22, 1.38s/it] 17it [00:23, 1.36s/it] 18it [00:24, 1.34s/it] 19it [00:26, 1.33s/it] 20it [00:27, 1.34s/it] 21it [00:28, 1.35s/it] 22it [00:30, 1.34s/it] 23it [00:31, 1.34s/it] 24it [00:32, 1.34s/it] 25it [00:34, 1.35s/it] 26it [00:35, 1.37s/it] 27it [00:36, 1.38s/it] 28it [00:38, 1.39s/it] 29it [00:39, 1.39s/it] 30it [00:41, 1.38s/it] 31it [00:42, 1.38s/it] 32it [00:43, 1.37s/it] 33it [00:45, 1.37s/it] 34it [00:46, 1.37s/it] 35it [00:47, 1.37s/it] 36it [00:49, 1.38s/it] 37it [00:50, 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1.20s/it] 952it [20:47, 1.19s/it] 953it [20:48, 1.19s/it] 954it [20:49, 1.18s/it] 955it [20:50, 1.19s/it] 956it [20:51, 1.22s/it] 957it [20:53, 1.24s/it] 958it [20:54, 1.25s/it] 959it [20:55, 1.26s/it] 960it [20:57, 1.27s/it] 961it [20:58, 1.29s/it] 962it [20:59, 1.31s/it] 963it [21:01, 1.31s/it] 964it [21:02, 1.32s/it] 965it [21:03, 1.32s/it] 966it [21:05, 1.33s/it] 967it [21:06, 1.35s/it] 968it [21:07, 1.37s/it] 969it [21:09, 1.36s/it] 970it [21:10, 1.34s/it] 971it [21:11, 1.33s/it] 972it [21:13, 1.32s/it] 973it [21:14, 1.32s/it] 974it [21:15, 1.31s/it] 975it [21:17, 1.32s/it] 976it [21:18, 1.33s/it] 977it [21:19, 1.34s/it] 978it [21:21, 1.33s/it] 979it [21:22, 1.32s/it] 980it [21:23, 1.32s/it] 981it [21:25, 1.32s/it] 982it [21:26, 1.32s/it] 983it [21:27, 1.32s/it] 984it [21:29, 1.32s/it] 985it [21:30, 1.31s/it] 986it [21:31, 1.30s/it] 987it [21:32, 1.30s/it] 988it [21:34, 1.31s/it] 989it [21:35, 1.30s/it] 990it [21:36, 1.28s/it] 991it [21:37, 1.27s/it] 992it [21:39, 1.29s/it] 993it [21:40, 1.25s/it] 994it [21:41, 1.23s/it] 995it [21:42, 1.22s/it] 996it [21:44, 1.20s/it] 997it [21:45, 1.20s/it] 998it [21:46, 1.20s/it] 999it [21:47, 1.22s/it] 1000it [21:48, 1.24s/it] 1000it [21:48, 1.31s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:40.499069 +⏰ Completed process in 0:21:49.513829 diff --git a/chunked/d4-dock_109.csv.gz b/chunked/d4-dock_109.csv.gz index 9335fe1835f1e3cde7f1f8e0baccbf8a16f99cc8..ad61b7f961d8f391037a4c067188e88e739d530f 100644 --- a/chunked/d4-dock_109.csv.gz +++ b/chunked/d4-dock_109.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:575e95f5b3146b887e07713b2d1b6b29ddd52b97727cb2f03dc1364ae39eed44 -size 30545474 +oid sha256:6ae0f10b5e155e4bb4c1fddc42394a4bdea41303e1e730050f4b27c3319dafeb +size 30545464 diff --git a/chunked/d4-dock_109.log b/chunked/d4-dock_109.log index 54c63392176c1f4c923492b1c5009da486df0fe1..1d1a4afa20e4a2b18555f9f9014bf1b1b49684dd 100644 --- a/chunked/d4-dock_109.log +++ b/chunked/d4-dock_109.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.32s/it] 2it [00:02, 1.36s/it] 3it [00:04, 1.37s/it] 4it [00:05, 1.39s/it] 5it [00:06, 1.39s/it] 6it [00:08, 1.38s/it] 7it [00:09, 1.39s/it] 8it [00:11, 1.38s/it] 9it [00:12, 1.37s/it] 10it [00:13, 1.38s/it] 11it [00:15, 1.37s/it] 12it [00:16, 1.37s/it] 13it [00:17, 1.37s/it] 14it [00:19, 1.36s/it] 15it [00:20, 1.35s/it] 16it [00:21, 1.35s/it] 17it [00:23, 1.36s/it] 18it [00:24, 1.36s/it] 19it [00:25, 1.36s/it] 20it [00:27, 1.37s/it] 21it [00:28, 1.36s/it] 22it [00:30, 1.36s/it] 23it [00:31, 1.33s/it] 24it [00:32, 1.31s/it] 25it [00:33, 1.33s/it] 26it [00:35, 1.34s/it] 27it [00:36, 1.34s/it] 28it [00:37, 1.33s/it] 29it 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[20:44, 1.29s/it] 944it [20:45, 1.30s/it] 945it [20:47, 1.31s/it] 946it [20:48, 1.31s/it] 947it [20:49, 1.32s/it] 948it [20:51, 1.33s/it] 949it [20:52, 1.33s/it] 950it [20:53, 1.32s/it] 951it [20:55, 1.33s/it] 952it [20:56, 1.33s/it] 953it [20:57, 1.34s/it] 954it [20:59, 1.36s/it] 955it [21:00, 1.37s/it] 956it [21:01, 1.38s/it] 957it [21:03, 1.38s/it] 958it [21:04, 1.38s/it] 959it [21:06, 1.37s/it] 960it [21:07, 1.37s/it] 961it [21:08, 1.37s/it] 962it [21:10, 1.37s/it] 963it [21:11, 1.37s/it] 964it [21:12, 1.37s/it] 965it [21:14, 1.37s/it] 966it [21:15, 1.39s/it] 967it [21:17, 1.40s/it] 968it [21:18, 1.39s/it] 969it [21:19, 1.37s/it] 970it [21:21, 1.35s/it] 971it [21:22, 1.35s/it] 972it [21:23, 1.36s/it] 973it [21:25, 1.36s/it] 974it [21:26, 1.36s/it] 975it [21:27, 1.36s/it] 976it [21:29, 1.36s/it] 977it [21:30, 1.36s/it] 978it [21:32, 1.36s/it] 979it [21:33, 1.37s/it] 980it [21:34, 1.37s/it] 981it [21:36, 1.37s/it] 982it [21:37, 1.36s/it] 983it [21:38, 1.35s/it] 984it [21:40, 1.34s/it] 985it [21:41, 1.33s/it] 986it [21:42, 1.34s/it] 987it [21:44, 1.34s/it] 988it [21:45, 1.34s/it] 989it [21:46, 1.33s/it] 990it [21:48, 1.32s/it] 991it [21:49, 1.32s/it] 992it [21:50, 1.31s/it] 993it [21:51, 1.31s/it] 994it [21:53, 1.30s/it] 995it [21:54, 1.30s/it] 996it [21:55, 1.30s/it] 997it [21:57, 1.31s/it] 998it [21:58, 1.31s/it] 999it [21:59, 1.32s/it] 1000it [22:01, 1.32s/it] 1000it [22:01, 1.32s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:26.253099 +⏰ Completed process in 0:22:01.629697 diff --git a/chunked/d4-dock_110.csv.gz b/chunked/d4-dock_110.csv.gz index 9888b3bd473c43cb57688bbe00f52d333686701b..b2bfb9e9f3ad540f2622d6515b1720dff7dd3c57 100644 --- a/chunked/d4-dock_110.csv.gz +++ b/chunked/d4-dock_110.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:5cea6974f15dfd48ddf6f139c839541f6725078c5c242b6137cd3ac033677193 -size 30056256 +oid sha256:5584afd64c6e0073c9bfc923dedd9b511cc24cb9ab6ed43132670f9e8452c6a6 +size 30056288 diff --git a/chunked/d4-dock_110.log b/chunked/d4-dock_110.log index 0b7cb19e07c4135e81ca943bac235500a79e813a..86dd5bce93215dd754a5e67557015577f29ed1d8 100644 --- a/chunked/d4-dock_110.log +++ b/chunked/d4-dock_110.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.36s/it] 2it [00:02, 1.36s/it] 3it [00:04, 1.35s/it] 4it [00:05, 1.37s/it] 5it [00:06, 1.38s/it] 6it [00:08, 1.38s/it] 7it [00:09, 1.39s/it] 8it [00:11, 1.40s/it] 9it [00:12, 1.38s/it] 10it [00:13, 1.36s/it] 11it [00:15, 1.38s/it] 12it [00:16, 1.39s/it] 13it [00:17, 1.39s/it] 14it [00:19, 1.40s/it] 15it [00:20, 1.40s/it] 16it [00:22, 1.38s/it] 17it [00:23, 1.37s/it] 18it [00:24, 1.38s/it] 19it [00:26, 1.37s/it] 20it [00:27, 1.37s/it] 21it [00:28, 1.35s/it] 22it 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1.28s/it] 979it [22:11, 1.28s/it] 980it [22:12, 1.27s/it] 981it [22:13, 1.26s/it] 982it [22:15, 1.25s/it] 983it [22:16, 1.24s/it] 984it [22:17, 1.24s/it] 985it [22:19, 1.29s/it] 986it [22:20, 1.32s/it] 987it [22:21, 1.36s/it] 988it [22:23, 1.37s/it] 989it [22:24, 1.40s/it] 990it [22:26, 1.42s/it] 991it [22:27, 1.42s/it] 992it [22:29, 1.41s/it] 993it [22:30, 1.42s/it] 994it [22:31, 1.42s/it] 995it [22:33, 1.39s/it] 996it [22:34, 1.38s/it] 997it [22:35, 1.37s/it] 998it [22:37, 1.39s/it] 999it [22:38, 1.39s/it] 1000it [22:40, 1.40s/it] 1000it [22:40, 1.36s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:43.259226 +⏰ Completed process in 0:22:40.676874 diff --git a/chunked/d4-dock_111.csv.gz b/chunked/d4-dock_111.csv.gz index ec0a40785334eab578b1c10e8d5146227461aa12..47220c801ca0dd285c55fb96966b4b325b8ff1b9 100644 --- a/chunked/d4-dock_111.csv.gz +++ b/chunked/d4-dock_111.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:9d5f72799c18133f39714d53bb374d720bd6917727e365056a248c1417e4df72 -size 29500196 +oid sha256:730a865532a73ae769f67801911342d2113a9d3d7e3df21444d7a7febf33db95 +size 29500165 diff --git a/chunked/d4-dock_111.log b/chunked/d4-dock_111.log index 290229dcb7faac2acbcfd0dc5bd5779874d60942..8cb30f2f06b2760c42955b6efdca730caba26696 100644 --- a/chunked/d4-dock_111.log +++ b/chunked/d4-dock_111.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.35s/it] 2it [00:02, 1.32s/it] 3it [00:04, 1.35s/it] 4it [00:05, 1.37s/it] 5it [00:06, 1.37s/it] 6it [00:08, 1.37s/it] 7it [00:09, 1.38s/it] 8it [00:10, 1.38s/it] 9it [00:12, 1.39s/it] 10it [00:13, 1.39s/it] 11it [00:15, 1.39s/it] 12it [00:16, 1.40s/it] 13it [00:17, 1.41s/it] 14it [00:19, 1.39s/it] 15it [00:20, 1.38s/it] 16it [00:22, 1.39s/it] 17it [00:23, 1.40s/it] 18it [00:24, 1.40s/it] 19it [00:26, 1.38s/it] 20it [00:27, 1.37s/it] 21it [00:28, 1.36s/it] 22it [00:30, 1.36s/it] 23it [00:31, 1.34s/it] 24it [00:32, 1.33s/it] 25it [00:34, 1.30s/it] 26it [00:35, 1.30s/it] 27it [00:36, 1.31s/it] 28it [00:38, 1.31s/it] 29it [00:39, 1.32s/it] 30it [00:40, 1.32s/it] 31it [00:42, 1.34s/it] 32it [00:43, 1.34s/it] 33it [00:44, 1.35s/it] 34it [00:46, 1.34s/it] 35it [00:47, 1.32s/it] 36it [00:48, 1.31s/it] 37it [00:50, 1.32s/it] 38it [00:51, 1.33s/it] 39it [00:52, 1.35s/it] 40it [00:54, 1.34s/it] 41it [00:55, 1.32s/it] 42it [00:56, 1.31s/it] 43it [00:58, 1.31s/it] 44it [00:59, 1.31s/it] 45it [01:00, 1.32s/it] 46it [01:02, 1.35s/it] 47it [01:03, 1.36s/it] 48it [01:04, 1.36s/it] 49it [01:06, 1.36s/it] 50it [01:07, 1.37s/it] 51it [01:09, 1.38s/it] 52it [01:10, 1.38s/it] 53it [01:11, 1.38s/it] 54it [01:13, 1.37s/it] 55it [01:14, 1.37s/it] 56it [01:15, 1.37s/it] 57it [01:17, 1.35s/it] 58it [01:18, 1.34s/it] 59it [01:19, 1.33s/it] 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1.30s/it] 807it [17:41, 1.32s/it] 808it [17:43, 1.33s/it] 809it [17:44, 1.33s/it] 810it [17:45, 1.31s/it] 811it [17:46, 1.30s/it] 812it [17:48, 1.29s/it] 813it [17:49, 1.29s/it] 814it [17:50, 1.29s/it] 815it [17:52, 1.29s/it] 816it [17:53, 1.30s/it] 817it [17:54, 1.30s/it] 818it [17:56, 1.30s/it] 819it [17:57, 1.30s/it] 820it [17:58, 1.32s/it] 821it [18:00, 1.32s/it] 822it [18:01, 1.32s/it] 823it [18:02, 1.32s/it] 824it [18:03, 1.32s/it] 825it [18:05, 1.32s/it] 826it [18:06, 1.31s/it] 827it [18:07, 1.32s/it] 828it [18:09, 1.32s/it] 829it [18:10, 1.31s/it] 830it [18:11, 1.30s/it] 831it [18:13, 1.30s/it] 832it [18:14, 1.31s/it] 833it [18:15, 1.31s/it] 834it [18:17, 1.32s/it] 835it [18:18, 1.33s/it] 836it [18:19, 1.34s/it] 837it [18:21, 1.34s/it] 838it [18:22, 1.33s/it] 839it [18:23, 1.32s/it] 840it [18:25, 1.32s/it] 841it [18:26, 1.32s/it] 842it [18:27, 1.33s/it] 843it [18:29, 1.34s/it] 844it [18:30, 1.34s/it] 845it [18:31, 1.35s/it] 846it [18:33, 1.35s/it] 847it [18:34, 1.36s/it] 848it 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[20:24, 1.32s/it] 932it [20:25, 1.32s/it] 933it [20:27, 1.31s/it] 934it [20:28, 1.30s/it] 935it [20:29, 1.29s/it] 936it [20:30, 1.28s/it] 937it [20:32, 1.29s/it] 938it [20:33, 1.30s/it] 939it [20:34, 1.30s/it] 940it [20:36, 1.29s/it] 941it [20:37, 1.30s/it] 942it [20:38, 1.31s/it] 943it [20:40, 1.30s/it] 944it [20:41, 1.29s/it] 945it [20:42, 1.29s/it] 946it [20:43, 1.28s/it] 947it [20:45, 1.28s/it] 948it [20:46, 1.27s/it] 949it [20:47, 1.29s/it] 950it [20:48, 1.25s/it] 951it [20:50, 1.27s/it] 952it [20:51, 1.28s/it] 953it [20:52, 1.30s/it] 954it [20:54, 1.32s/it] 955it [20:55, 1.31s/it] 956it [20:56, 1.30s/it] 957it [20:58, 1.28s/it] 958it [20:59, 1.29s/it] 959it [21:00, 1.29s/it] 960it [21:02, 1.31s/it] 961it [21:03, 1.32s/it] 962it [21:04, 1.33s/it] 963it [21:06, 1.35s/it] 964it [21:07, 1.36s/it] 965it [21:08, 1.36s/it] 966it [21:10, 1.38s/it] 967it [21:11, 1.38s/it] 968it [21:13, 1.38s/it] 969it [21:14, 1.38s/it] 970it [21:15, 1.39s/it] 971it [21:17, 1.39s/it] 972it [21:18, 1.40s/it] 973it [21:20, 1.40s/it] 974it [21:21, 1.40s/it] 975it [21:22, 1.41s/it] 976it [21:24, 1.42s/it] 977it [21:25, 1.41s/it] 978it [21:27, 1.41s/it] 979it [21:28, 1.40s/it] 980it [21:29, 1.41s/it] 981it [21:31, 1.40s/it] 982it [21:32, 1.40s/it] 983it [21:34, 1.40s/it] 984it [21:35, 1.38s/it] 985it [21:36, 1.38s/it] 986it [21:38, 1.38s/it] 987it [21:39, 1.39s/it] 988it [21:40, 1.38s/it] 989it [21:42, 1.39s/it] 990it [21:43, 1.40s/it] 991it [21:45, 1.39s/it] 992it [21:46, 1.39s/it] 993it [21:47, 1.40s/it] 994it [21:49, 1.40s/it] 995it [21:50, 1.40s/it] 996it [21:52, 1.42s/it] 997it [21:53, 1.43s/it] 998it [21:55, 1.41s/it] 999it [21:56, 1.40s/it] 1000it [21:57, 1.39s/it] 1000it [21:57, 1.32s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:21:41.593087 +⏰ Completed process in 0:21:58.353121 diff --git a/chunked/d4-dock_112.csv.gz b/chunked/d4-dock_112.csv.gz index b60a5a15325184ca310c4fa1b16506063c12abc3..b7b0a8eb8cc7ec2f6771c00300d5ffa1086e4526 100644 --- a/chunked/d4-dock_112.csv.gz +++ b/chunked/d4-dock_112.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:de2e0e55f599b9ce8dbacaf20993a2155e4f6d91bfc3455528474ab8253b357f -size 29895158 +oid sha256:f4d77ba306187d3ff6835e3a00dc3967b1fab9654c9b474227f5b385f7f20a3f +size 29895139 diff --git a/chunked/d4-dock_112.log b/chunked/d4-dock_112.log index ad4bbfab5a01ab96b3ad8ef0c2df622e68cf88d1..4cd26c433cb5cd842e0a685fee84fcfd90e3cf03 100644 --- a/chunked/d4-dock_112.log +++ b/chunked/d4-dock_112.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.36s/it] 2it [00:02, 1.34s/it] 3it [00:04, 1.34s/it] 4it [00:05, 1.31s/it] 5it [00:06, 1.31s/it] 6it [00:07, 1.30s/it] 7it [00:09, 1.30s/it] 8it [00:10, 1.30s/it] 9it [00:11, 1.32s/it] 10it [00:13, 1.33s/it] 11it [00:14, 1.32s/it] 12it [00:15, 1.32s/it] 13it [00:17, 1.33s/it] 14it [00:18, 1.34s/it] 15it [00:19, 1.34s/it] 16it [00:21, 1.35s/it] 17it [00:22, 1.35s/it] 18it [00:23, 1.35s/it] 19it [00:25, 1.36s/it] 20it [00:26, 1.35s/it] 21it [00:27, 1.35s/it] 22it [00:29, 1.36s/it] 23it [00:30, 1.37s/it] 24it [00:32, 1.38s/it] 25it [00:33, 1.37s/it] 26it [00:34, 1.35s/it] 27it [00:36, 1.35s/it] 28it [00:37, 1.35s/it] 29it [00:38, 1.34s/it] 30it [00:40, 1.35s/it] 31it [00:41, 1.35s/it] 32it [00:42, 1.34s/it] 33it [00:44, 1.35s/it] 34it [00:45, 1.35s/it] 35it [00:46, 1.36s/it] 36it [00:48, 1.35s/it] 37it [00:49, 1.36s/it] 38it [00:51, 1.38s/it] 39it [00:52, 1.40s/it] 40it [00:54, 1.45s/it] 41it [00:55, 1.44s/it] 42it [00:56, 1.43s/it] 43it [00:58, 1.44s/it] 44it [00:59, 1.41s/it] 45it [01:01, 1.40s/it] 46it [01:02, 1.38s/it] 47it [01:03, 1.39s/it] 48it [01:05, 1.42s/it] 49it [01:06, 1.41s/it] 50it [01:08, 1.40s/it] 51it [01:09, 1.39s/it] 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1.33s/it] 634it [14:17, 1.34s/it] 635it [14:19, 1.35s/it] 636it [14:20, 1.36s/it] 637it [14:21, 1.35s/it] 638it [14:23, 1.34s/it] 639it [14:24, 1.34s/it] 640it [14:25, 1.35s/it] 641it [14:27, 1.36s/it] 642it [14:28, 1.36s/it] 643it [14:29, 1.34s/it] 644it [14:31, 1.35s/it] 645it [14:32, 1.35s/it] 646it [14:33, 1.35s/it] 647it [14:35, 1.34s/it] 648it [14:36, 1.35s/it] 649it [14:38, 1.35s/it] 650it [14:39, 1.35s/it] 651it [14:40, 1.35s/it] 652it [14:42, 1.35s/it] 653it [14:43, 1.35s/it] 654it [14:44, 1.34s/it] 655it [14:46, 1.35s/it] 656it [14:47, 1.37s/it] 657it [14:48, 1.35s/it] 658it [14:50, 1.35s/it] 659it [14:51, 1.35s/it] 660it [14:52, 1.35s/it] 661it [14:54, 1.34s/it] 662it [14:55, 1.33s/it] 663it [14:56, 1.31s/it] 664it [14:58, 1.32s/it] 665it [14:59, 1.34s/it] 666it [15:00, 1.35s/it] 667it [15:02, 1.35s/it] 668it [15:03, 1.37s/it] 669it [15:05, 1.38s/it] 670it [15:06, 1.37s/it] 671it [15:07, 1.36s/it] 672it [15:09, 1.34s/it] 673it [15:10, 1.35s/it] 674it [15:11, 1.37s/it] 675it [15:13, 1.37s/it] 676it [15:14, 1.36s/it] 677it [15:15, 1.36s/it] 678it [15:17, 1.35s/it] 679it [15:18, 1.34s/it] 680it [15:19, 1.34s/it] 681it [15:21, 1.34s/it] 682it [15:22, 1.33s/it] 683it [15:23, 1.34s/it] 684it [15:25, 1.34s/it] 685it [15:26, 1.35s/it] 686it [15:27, 1.36s/it] 687it [15:29, 1.36s/it] 688it [15:30, 1.36s/it] 689it [15:32, 1.36s/it] 690it [15:33, 1.36s/it] 691it [15:34, 1.36s/it] 692it [15:36, 1.35s/it] 693it [15:37, 1.34s/it] 694it [15:38, 1.34s/it] 695it [15:40, 1.36s/it] 696it [15:41, 1.37s/it] 697it [15:42, 1.35s/it] 698it [15:44, 1.35s/it] 699it [15:45, 1.34s/it] 700it [15:46, 1.34s/it] 701it [15:48, 1.34s/it] 702it [15:49, 1.34s/it] 703it [15:50, 1.36s/it] 704it [15:52, 1.37s/it] 705it [15:53, 1.36s/it] 706it [15:55, 1.35s/it] 707it [15:56, 1.35s/it] 708it [15:57, 1.34s/it] 709it [15:59, 1.33s/it] 710it [16:00, 1.34s/it] 711it [16:01, 1.34s/it] 712it [16:02, 1.33s/it] 713it [16:04, 1.33s/it] 714it [16:05, 1.34s/it] 715it [16:07, 1.35s/it] 716it [16:08, 1.35s/it] 717it [16:09, 1.34s/it] 718it [16:11, 1.34s/it] 719it [16:12, 1.33s/it] 720it [16:13, 1.32s/it] 721it [16:15, 1.34s/it] 722it [16:16, 1.35s/it] 723it [16:17, 1.35s/it] 724it [16:19, 1.35s/it] 725it [16:20, 1.34s/it] 726it [16:21, 1.32s/it] 727it [16:23, 1.32s/it] 728it [16:24, 1.32s/it] 729it [16:25, 1.32s/it] 730it [16:27, 1.33s/it] 731it [16:28, 1.33s/it] 732it [16:29, 1.33s/it] 733it [16:31, 1.33s/it] 734it [16:32, 1.34s/it] 735it [16:33, 1.35s/it] 736it [16:35, 1.34s/it] 737it [16:36, 1.33s/it] 738it [16:37, 1.35s/it] 739it [16:39, 1.35s/it] 740it [16:40, 1.35s/it] 741it [16:41, 1.34s/it] 742it [16:43, 1.34s/it] 743it [16:44, 1.33s/it] 744it [16:45, 1.32s/it] 745it [16:47, 1.31s/it] 746it [16:48, 1.32s/it] 747it [16:49, 1.33s/it] 748it [16:51, 1.33s/it] 749it [16:52, 1.32s/it] 750it [16:53, 1.33s/it] 751it [16:55, 1.33s/it] 752it [16:56, 1.33s/it] 753it [16:57, 1.35s/it] 754it [16:59, 1.37s/it] 755it [17:00, 1.36s/it] 756it [17:01, 1.36s/it] 757it [17:03, 1.35s/it] 758it [17:04, 1.35s/it] 759it [17:05, 1.36s/it] 760it [17:07, 1.36s/it] 761it [17:08, 1.35s/it] 762it [17:09, 1.35s/it] 763it [17:11, 1.35s/it] 764it [17:12, 1.36s/it] 765it [17:14, 1.36s/it] 766it [17:15, 1.37s/it] 767it [17:16, 1.37s/it] 768it [17:18, 1.35s/it] 769it [17:19, 1.35s/it] 770it [17:20, 1.36s/it] 771it [17:22, 1.35s/it] 772it [17:23, 1.36s/it] 773it [17:24, 1.34s/it] 774it [17:26, 1.34s/it] 775it [17:27, 1.36s/it] 776it [17:28, 1.36s/it] 777it [17:30, 1.36s/it] 778it [17:31, 1.34s/it] 779it [17:33, 1.35s/it] 780it [17:34, 1.37s/it] 781it [17:35, 1.37s/it] 782it [17:37, 1.37s/it] 783it [17:38, 1.37s/it] 784it [17:39, 1.38s/it] 785it [17:41, 1.37s/it] 786it [17:42, 1.38s/it] 787it [17:44, 1.38s/it] 788it [17:45, 1.37s/it] 789it [17:46, 1.38s/it] 790it [17:48, 1.39s/it] 791it [17:49, 1.38s/it] 792it [17:50, 1.38s/it] 793it [17:52, 1.38s/it] 794it [17:53, 1.38s/it] 795it [17:55, 1.38s/it] 796it [17:56, 1.38s/it] 797it [17:57, 1.38s/it] 798it [17:59, 1.38s/it] 799it [18:00, 1.37s/it] 800it [18:01, 1.37s/it] 801it [18:03, 1.36s/it] 802it [18:04, 1.36s/it] 803it [18:06, 1.36s/it] 804it [18:07, 1.35s/it] 805it [18:08, 1.36s/it] 806it [18:10, 1.36s/it] 807it [18:11, 1.36s/it] 808it [18:12, 1.36s/it] 809it [18:14, 1.36s/it] 810it [18:15, 1.36s/it] 811it [18:16, 1.36s/it] 812it [18:18, 1.38s/it] 813it [18:19, 1.38s/it] 814it [18:21, 1.39s/it] 815it [18:22, 1.37s/it] 816it [18:23, 1.37s/it] 817it [18:25, 1.37s/it] 818it [18:26, 1.36s/it] 819it [18:27, 1.37s/it] 820it [18:29, 1.36s/it] 821it [18:30, 1.34s/it] 822it [18:31, 1.34s/it] 823it [18:33, 1.34s/it] 824it [18:34, 1.34s/it] 825it [18:35, 1.34s/it] 826it [18:37, 1.37s/it] 827it [18:38, 1.40s/it] 828it [18:40, 1.38s/it] 829it [18:41, 1.38s/it] 830it [18:42, 1.38s/it] 831it [18:44, 1.38s/it] 832it [18:45, 1.36s/it] 833it [18:46, 1.34s/it] 834it [18:48, 1.34s/it] 835it [18:49, 1.34s/it] 836it [18:50, 1.33s/it] 837it [18:52, 1.32s/it] 838it [18:53, 1.33s/it] 839it [18:54, 1.35s/it] 840it [18:56, 1.35s/it] 841it [18:57, 1.36s/it] 842it [18:59, 1.36s/it] 843it [19:00, 1.36s/it] 844it [19:01, 1.36s/it] 845it [19:03, 1.36s/it] 846it [19:04, 1.35s/it] 847it [19:05, 1.35s/it] 848it [19:07, 1.35s/it] 849it [19:08, 1.36s/it] 850it [19:09, 1.37s/it] 851it [19:11, 1.38s/it] 852it [19:12, 1.38s/it] 853it [19:13, 1.36s/it] 854it [19:15, 1.35s/it] 855it [19:16, 1.35s/it] 856it [19:18, 1.36s/it] 857it [19:19, 1.37s/it] 858it [19:20, 1.36s/it] 859it [19:22, 1.36s/it] 860it [19:23, 1.36s/it] 861it [19:24, 1.38s/it] 862it [19:26, 1.37s/it] 863it [19:27, 1.35s/it] 864it [19:28, 1.33s/it] 865it [19:30, 1.34s/it] 866it [19:31, 1.37s/it] 867it [19:33, 1.38s/it] 868it [19:34, 1.40s/it] 869it [19:35, 1.38s/it] 870it [19:37, 1.36s/it] 871it [19:38, 1.36s/it] 872it [19:39, 1.34s/it] 873it [19:41, 1.32s/it] 874it [19:42, 1.32s/it] 875it [19:43, 1.33s/it] 876it [19:45, 1.34s/it] 877it [19:46, 1.35s/it] 878it [19:47, 1.33s/it] 879it [19:49, 1.34s/it] 880it [19:50, 1.32s/it] 881it [19:51, 1.30s/it] 882it [19:52, 1.31s/it] 883it [19:54, 1.32s/it] 884it [19:55, 1.31s/it] 885it [19:56, 1.31s/it] 886it [19:58, 1.32s/it] 887it [19:59, 1.32s/it] 888it [20:00, 1.32s/it] 889it [20:02, 1.32s/it] 890it [20:03, 1.32s/it] 891it [20:04, 1.33s/it] 892it [20:06, 1.34s/it] 893it [20:07, 1.35s/it] 894it [20:08, 1.35s/it] 895it [20:10, 1.36s/it] 896it [20:11, 1.37s/it] 897it [20:13, 1.38s/it] 898it [20:14, 1.37s/it] 899it [20:15, 1.37s/it] 900it [20:17, 1.37s/it] 901it [20:18, 1.37s/it] 902it [20:19, 1.37s/it] 903it [20:21, 1.37s/it] 904it [20:22, 1.38s/it] 905it [20:24, 1.38s/it] 906it [20:25, 1.37s/it] 907it [20:26, 1.37s/it] 908it [20:28, 1.36s/it] 909it [20:29, 1.36s/it] 910it [20:30, 1.35s/it] 911it [20:32, 1.35s/it] 912it [20:33, 1.36s/it] 913it [20:34, 1.36s/it] 914it [20:36, 1.36s/it] 915it [20:37, 1.37s/it] 916it [20:39, 1.36s/it] 917it [20:40, 1.37s/it] 918it [20:41, 1.38s/it] 919it [20:43, 1.38s/it] 920it [20:44, 1.38s/it] 921it [20:45, 1.38s/it] 922it [20:47, 1.38s/it] 923it [20:48, 1.38s/it] 924it [20:50, 1.38s/it] 925it [20:51, 1.39s/it] 926it [20:52, 1.38s/it] 927it [20:54, 1.38s/it] 928it [20:55, 1.38s/it] 929it [20:56, 1.36s/it] 930it [20:58, 1.34s/it] 931it [20:59, 1.33s/it] 932it [21:00, 1.34s/it] 933it [21:02, 1.34s/it] 934it [21:03, 1.34s/it] 935it [21:04, 1.34s/it] 936it [21:06, 1.33s/it] 937it [21:07, 1.32s/it] 938it [21:08, 1.31s/it] 939it [21:10, 1.31s/it] 940it [21:11, 1.31s/it] 941it [21:12, 1.32s/it] 942it [21:14, 1.32s/it] 943it [21:15, 1.32s/it] 944it [21:16, 1.31s/it] 945it [21:18, 1.32s/it] 946it [21:19, 1.34s/it] 947it [21:20, 1.34s/it] 948it [21:22, 1.35s/it] 949it [21:23, 1.37s/it] 950it [21:24, 1.37s/it] 951it [21:26, 1.33s/it] 952it [21:27, 1.31s/it] 953it [21:28, 1.30s/it] 954it [21:30, 1.30s/it] 955it [21:31, 1.32s/it] 956it [21:32, 1.32s/it] 957it [21:34, 1.33s/it] 958it [21:35, 1.37s/it] 959it [21:36, 1.37s/it] 960it [21:38, 1.42s/it] 961it [21:39, 1.38s/it] 962it [21:40, 1.34s/it] 963it [21:42, 1.31s/it] 964it [21:43, 1.29s/it] 965it [21:44, 1.27s/it] 966it [21:46, 1.31s/it] 967it [21:47, 1.39s/it] 968it [21:49, 1.39s/it] 969it [21:50, 1.38s/it] 970it [21:51, 1.37s/it] 971it [21:53, 1.37s/it] 972it [21:54, 1.37s/it] 973it [21:55, 1.40s/it] 974it [21:57, 1.40s/it] 975it [21:58, 1.37s/it] 976it [21:59, 1.35s/it] 977it [22:01, 1.38s/it] 978it [22:02, 1.39s/it] 979it [22:04, 1.41s/it] 980it [22:05, 1.41s/it] 981it [22:07, 1.42s/it] 982it [22:08, 1.42s/it] 983it [22:09, 1.38s/it] 984it [22:11, 1.36s/it] 985it [22:12, 1.34s/it] 986it [22:13, 1.33s/it] 987it [22:14, 1.30s/it] 988it [22:16, 1.29s/it] 989it [22:17, 1.32s/it] 990it [22:19, 1.33s/it] 991it [22:20, 1.32s/it] 992it [22:21, 1.30s/it] 993it [22:22, 1.29s/it] 994it [22:24, 1.31s/it] 995it [22:25, 1.33s/it] 996it [22:26, 1.34s/it] 997it [22:28, 1.36s/it] 998it [22:29, 1.38s/it] 999it [22:31, 1.37s/it] 1000it [22:32, 1.37s/it] 1000it [22:32, 1.35s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:09.284272 +⏰ Completed process in 0:22:33.035602 diff --git a/chunked/d4-dock_113.csv.gz b/chunked/d4-dock_113.csv.gz index eb9686f922332fd513b909b119bb45799f472a90..282e906662223c9709792d33a01fc5f96edfc6c4 100644 --- a/chunked/d4-dock_113.csv.gz +++ b/chunked/d4-dock_113.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:b28707685fbf76cb54e61925cbc3f4f6d0c0fc2e251d881c98eeb6f75e33e270 -size 31044764 +oid sha256:4aedd639bd8741318d6a0fc4710a1342f402af4ec8fb1b88c7d6aacc4f752618 +size 31044763 diff --git a/chunked/d4-dock_113.log b/chunked/d4-dock_113.log index f47c47cfb465480c5bbd82f56aff15bf77bc54cd..7987558aa1ca608dff25e451f63f5c9589243df0 100644 --- a/chunked/d4-dock_113.log +++ b/chunked/d4-dock_113.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.34s/it] 2it [00:02, 1.37s/it] 3it [00:04, 1.35s/it] 4it [00:05, 1.35s/it] 5it [00:06, 1.33s/it] 6it [00:08, 1.32s/it] 7it [00:09, 1.32s/it] 8it [00:10, 1.33s/it] 9it [00:12, 1.33s/it] 10it [00:13, 1.32s/it] 11it [00:14, 1.33s/it] 12it [00:15, 1.33s/it] 13it [00:17, 1.32s/it] 14it [00:18, 1.31s/it] 15it [00:19, 1.31s/it] 16it [00:21, 1.30s/it] 17it [00:22, 1.29s/it] 18it [00:23, 1.28s/it] 19it [00:25, 1.30s/it] 20it [00:26, 1.32s/it] 21it [00:27, 1.35s/it] 22it [00:29, 1.36s/it] 23it [00:30, 1.35s/it] 24it [00:31, 1.34s/it] 25it [00:33, 1.33s/it] 26it [00:34, 1.31s/it] 27it [00:35, 1.30s/it] 28it [00:36, 1.30s/it] 29it [00:38, 1.29s/it] 30it [00:39, 1.28s/it] 31it [00:40, 1.29s/it] 32it [00:42, 1.29s/it] 33it [00:43, 1.30s/it] 34it [00:44, 1.31s/it] 35it [00:46, 1.31s/it] 36it [00:47, 1.30s/it] 37it [00:48, 1.30s/it] 38it [00:49, 1.30s/it] 39it [00:51, 1.31s/it] 40it [00:52, 1.33s/it] 41it [00:54, 1.34s/it] 42it [00:55, 1.34s/it] 43it [00:56, 1.35s/it] 44it [00:58, 1.34s/it] 45it [00:59, 1.34s/it] 46it [01:00, 1.33s/it] 47it 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[19:24, 1.37s/it] 879it [19:26, 1.37s/it] 880it [19:27, 1.38s/it] 881it [19:28, 1.38s/it] 882it [19:30, 1.39s/it] 883it [19:31, 1.39s/it] 884it [19:33, 1.39s/it] 885it [19:34, 1.37s/it] 886it [19:35, 1.36s/it] 887it [19:37, 1.37s/it] 888it [19:38, 1.36s/it] 889it [19:39, 1.37s/it] 890it [19:41, 1.38s/it] 891it [19:42, 1.39s/it] 892it [19:44, 1.37s/it] 893it [19:45, 1.35s/it] 894it [19:46, 1.35s/it] 895it [19:48, 1.36s/it] 896it [19:49, 1.36s/it] 897it [19:50, 1.35s/it] 898it [19:52, 1.35s/it] 899it [19:53, 1.35s/it] 900it [19:54, 1.37s/it] 901it [19:56, 1.38s/it] 902it [19:57, 1.39s/it] 903it [19:59, 1.39s/it] 904it [20:00, 1.38s/it] 905it [20:01, 1.38s/it] 906it [20:03, 1.39s/it] 907it [20:04, 1.37s/it] 908it [20:06, 1.38s/it] 909it [20:07, 1.39s/it] 910it [20:08, 1.40s/it] 911it [20:10, 1.39s/it] 912it [20:11, 1.39s/it] 913it [20:13, 1.40s/it] 914it [20:14, 1.40s/it] 915it [20:15, 1.40s/it] 916it [20:17, 1.40s/it] 917it [20:18, 1.40s/it] 918it [20:20, 1.40s/it] 919it [20:21, 1.41s/it] 920it [20:22, 1.39s/it] 921it [20:24, 1.38s/it] 922it [20:25, 1.37s/it] 923it [20:26, 1.36s/it] 924it [20:28, 1.35s/it] 925it [20:29, 1.36s/it] 926it [20:30, 1.36s/it] 927it [20:32, 1.35s/it] 928it [20:33, 1.35s/it] 929it [20:34, 1.34s/it] 930it [20:36, 1.35s/it] 931it [20:37, 1.36s/it] 932it [20:39, 1.35s/it] 933it [20:40, 1.36s/it] 934it [20:41, 1.36s/it] 935it [20:43, 1.36s/it] 936it [20:44, 1.36s/it] 937it [20:45, 1.36s/it] 938it [20:47, 1.38s/it] 939it [20:48, 1.37s/it] 940it [20:49, 1.37s/it] 941it [20:51, 1.37s/it] 942it [20:52, 1.37s/it] 943it [20:54, 1.37s/it] 944it [20:55, 1.37s/it] 945it [20:56, 1.37s/it] 946it [20:58, 1.38s/it] 947it [20:59, 1.38s/it] 948it [21:01, 1.39s/it] 949it [21:02, 1.37s/it] 950it [21:03, 1.37s/it] 951it [21:05, 1.37s/it] 952it [21:06, 1.38s/it] 953it [21:07, 1.38s/it] 954it [21:09, 1.37s/it] 955it [21:10, 1.37s/it] 956it [21:12, 1.38s/it] 957it [21:13, 1.39s/it] 958it [21:14, 1.39s/it] 959it [21:16, 1.39s/it] 960it [21:17, 1.38s/it] 961it [21:18, 1.38s/it] 962it [21:20, 1.39s/it] 963it [21:21, 1.40s/it] 964it [21:23, 1.40s/it] 965it [21:24, 1.40s/it] 966it [21:25, 1.39s/it] 967it [21:27, 1.38s/it] 968it [21:28, 1.38s/it] 969it [21:30, 1.39s/it] 970it [21:31, 1.40s/it] 971it [21:32, 1.40s/it] 972it [21:34, 1.39s/it] 973it [21:35, 1.39s/it] 974it [21:37, 1.39s/it] 975it [21:38, 1.38s/it] 976it [21:39, 1.38s/it] 977it [21:41, 1.38s/it] 978it [21:42, 1.37s/it] 979it [21:43, 1.37s/it] 980it [21:45, 1.37s/it] 981it [21:46, 1.39s/it] 982it [21:48, 1.40s/it] 983it [21:49, 1.40s/it] 984it [21:50, 1.39s/it] 985it [21:52, 1.39s/it] 986it [21:53, 1.39s/it] 987it [21:55, 1.39s/it] 988it [21:56, 1.39s/it] 989it [21:57, 1.39s/it] 990it [21:59, 1.39s/it] 991it [22:00, 1.38s/it] 992it [22:02, 1.39s/it] 993it [22:03, 1.39s/it] 994it [22:04, 1.39s/it] 995it [22:06, 1.39s/it] 996it [22:07, 1.40s/it] 997it [22:09, 1.40s/it] 998it [22:10, 1.40s/it] 999it [22:11, 1.39s/it] 1000it [22:13, 1.40s/it] 1000it [22:13, 1.33s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:22:17.212526 +⏰ Completed process in 0:22:13.731032 diff --git a/chunked/d4-dock_114.csv.gz b/chunked/d4-dock_114.csv.gz index 2d12fd82825b3dc327a114482d003c86e4010faa..d2e544c36ec364871d4a7de44b8a4a959436f64b 100644 --- a/chunked/d4-dock_114.csv.gz +++ b/chunked/d4-dock_114.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:f06e2e36148340649c82c096e58377e8ff9c77b7eff9d17f9c4612f5bf72f86e -size 30900745 +oid sha256:c0159c381d884cde8e7d90e9f92cf4a4c4820756e0baf1d1770767d15a5451d9 +size 30900709 diff --git a/chunked/d4-dock_114.log b/chunked/d4-dock_114.log index 13885fa6ce235f1689dba79d1c037ff9556eaf97..b86df82c1d8f6db10fe14cca1515768e6d8225d5 100644 --- a/chunked/d4-dock_114.log +++ b/chunked/d4-dock_114.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.38s/it] 2it [00:02, 1.37s/it] 3it [00:04, 1.38s/it] 4it [00:05, 1.37s/it] 5it [00:06, 1.38s/it] 6it [00:08, 1.39s/it] 7it [00:09, 1.40s/it] 8it [00:11, 1.40s/it] 9it [00:12, 1.39s/it] 10it [00:13, 1.37s/it] 11it [00:15, 1.37s/it] 12it [00:16, 1.38s/it] 13it [00:17, 1.37s/it] 14it [00:19, 1.38s/it] 15it [00:20, 1.39s/it] 16it [00:22, 1.38s/it] 17it [00:23, 1.39s/it] 18it [00:24, 1.38s/it] 19it [00:26, 1.37s/it] 20it [00:27, 1.38s/it] 21it [00:29, 1.38s/it] 22it [00:30, 1.38s/it] 23it [00:31, 1.38s/it] 24it [00:33, 1.37s/it] 25it [00:34, 1.38s/it] 26it [00:35, 1.38s/it] 27it [00:37, 1.38s/it] 28it [00:38, 1.39s/it] 29it [00:40, 1.39s/it] 30it [00:41, 1.39s/it] 31it [00:42, 1.39s/it] 32it [00:44, 1.38s/it] 33it [00:45, 1.38s/it] 34it [00:47, 1.39s/it] 35it [00:48, 1.38s/it] 36it [00:49, 1.39s/it] 37it [00:51, 1.38s/it] 38it [00:52, 1.38s/it] 39it [00:53, 1.38s/it] 40it [00:55, 1.37s/it] 41it [00:56, 1.37s/it] 42it [00:57, 1.36s/it] 43it [00:59, 1.36s/it] 44it [01:00, 1.36s/it] 45it [01:01, 1.35s/it] 46it [01:03, 1.34s/it] 47it [01:04, 1.35s/it] 48it [01:06, 1.36s/it] 49it [01:07, 1.37s/it] 50it [01:08, 1.37s/it] 51it [01:10, 1.37s/it] 52it [01:11, 1.38s/it] 53it [01:12, 1.38s/it] 54it [01:14, 1.37s/it] 55it [01:15, 1.36s/it] 56it [01:17, 1.37s/it] 57it [01:18, 1.37s/it] 58it [01:19, 1.35s/it] 59it [01:21, 1.35s/it] 60it [01:22, 1.34s/it] 61it [01:23, 1.34s/it] 62it [01:25, 1.36s/it] 63it [01:26, 1.39s/it] 64it [01:27, 1.39s/it] 65it [01:29, 1.39s/it] 66it [01:30, 1.37s/it] 67it [01:32, 1.36s/it] 68it [01:33, 1.36s/it] 69it [01:34, 1.36s/it] 70it [01:36, 1.37s/it] 71it [01:37, 1.38s/it] 72it [01:38, 1.37s/it] 73it [01:40, 1.36s/it] 74it [01:41, 1.36s/it] 75it [01:42, 1.36s/it] 76it [01:44, 1.37s/it] 77it [01:45, 1.38s/it] 78it [01:47, 1.39s/it] 79it [01:48, 1.38s/it] 80it [01:49, 1.38s/it] 81it [01:51, 1.37s/it] 82it [01:52, 1.36s/it] 83it [01:53, 1.35s/it] 84it [01:55, 1.36s/it] 85it [01:56, 1.36s/it] 86it [01:57, 1.35s/it] 87it [01:59, 1.35s/it] 88it [02:00, 1.35s/it] 89it [02:02, 1.37s/it] 90it [02:03, 1.36s/it] 91it [02:04, 1.37s/it] 92it [02:06, 1.38s/it] 93it [02:07, 1.38s/it] 94it [02:08, 1.38s/it] 95it [02:10, 1.39s/it] 96it [02:11, 1.39s/it] 97it [02:13, 1.39s/it] 98it [02:14, 1.38s/it] 99it [02:15, 1.38s/it] 100it [02:17, 1.38s/it] 101it [02:18, 1.38s/it] 102it [02:20, 1.38s/it] 103it [02:21, 1.39s/it] 104it [02:22, 1.39s/it] 105it [02:24, 1.39s/it] 106it [02:25, 1.38s/it] 107it [02:27, 1.39s/it] 108it [02:28, 1.40s/it] 109it [02:29, 1.39s/it] 110it [02:31, 1.38s/it] 111it [02:32, 1.39s/it] 112it [02:34, 1.39s/it] 113it [02:35, 1.40s/it] 114it [02:36, 1.40s/it] 115it [02:38, 1.41s/it] 116it [02:39, 1.40s/it] 117it [02:41, 1.41s/it] 118it [02:42, 1.42s/it] 119it [02:43, 1.41s/it] 120it [02:45, 1.41s/it] 121it [02:46, 1.41s/it] 122it [02:48, 1.41s/it] 123it [02:49, 1.40s/it] 124it [02:50, 1.40s/it] 125it [02:52, 1.40s/it] 126it [02:53, 1.40s/it] 127it [02:55, 1.40s/it] 128it [02:56, 1.40s/it] 129it [02:57, 1.39s/it] 130it [02:59, 1.37s/it] 131it [03:00, 1.37s/it] 132it [03:01, 1.37s/it] 133it [03:03, 1.35s/it] 134it [03:04, 1.35s/it] 135it [03:05, 1.36s/it] 136it [03:07, 1.36s/it] 137it [03:08, 1.38s/it] 138it [03:10, 1.38s/it] 139it [03:11, 1.40s/it] 140it [03:12, 1.39s/it] 141it [03:14, 1.40s/it] 142it [03:15, 1.40s/it] 143it [03:17, 1.40s/it] 144it [03:18, 1.41s/it] 145it [03:19, 1.40s/it] 146it [03:21, 1.42s/it] 147it [03:22, 1.37s/it] 148it [03:23, 1.34s/it] 149it [03:25, 1.32s/it] 150it [03:26, 1.34s/it] 151it [03:27, 1.34s/it] 152it [03:29, 1.34s/it] 153it [03:30, 1.34s/it] 154it [03:31, 1.34s/it] 155it [03:33, 1.35s/it] 156it [03:34, 1.35s/it] 157it [03:36, 1.36s/it] 158it [03:37, 1.35s/it] 159it [03:38, 1.35s/it] 160it [03:40, 1.34s/it] 161it [03:41, 1.35s/it] 162it [03:42, 1.35s/it] 163it [03:44, 1.34s/it] 164it [03:45, 1.34s/it] 165it [03:46, 1.36s/it] 166it [03:48, 1.34s/it] 167it [03:49, 1.33s/it] 168it [03:50, 1.31s/it] 169it [03:52, 1.31s/it] 170it [03:53, 1.31s/it] 171it [03:54, 1.31s/it] 172it [03:56, 1.32s/it] 173it [03:57, 1.32s/it] 174it [03:58, 1.31s/it] 175it [03:59, 1.31s/it] 176it [04:01, 1.30s/it] 177it [04:02, 1.29s/it] 178it [04:03, 1.29s/it] 179it [04:05, 1.32s/it] 180it [04:06, 1.33s/it] 181it [04:07, 1.34s/it] 182it [04:09, 1.36s/it] 183it [04:10, 1.34s/it] 184it [04:11, 1.34s/it] 185it [04:13, 1.34s/it] 186it [04:14, 1.34s/it] 187it [04:15, 1.35s/it] 188it [04:17, 1.35s/it] 189it [04:18, 1.35s/it] 190it [04:20, 1.36s/it] 191it [04:21, 1.37s/it] 192it [04:22, 1.37s/it] 193it [04:24, 1.38s/it] 194it [04:25, 1.39s/it] 195it [04:27, 1.40s/it] 196it [04:28, 1.40s/it] 197it [04:29, 1.39s/it] 198it [04:31, 1.35s/it] 199it [04:32, 1.32s/it] 200it [04:33, 1.31s/it] 201it [04:34, 1.31s/it] 202it [04:36, 1.32s/it] 203it [04:37, 1.33s/it] 204it [04:38, 1.34s/it] 205it [04:40, 1.35s/it] 206it [04:41, 1.34s/it] 207it [04:43, 1.34s/it] 208it [04:44, 1.34s/it] 209it [04:45, 1.33s/it] 210it [04:47, 1.34s/it] 211it 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1.32s/it] 708it [15:30, 1.33s/it] 709it [15:31, 1.31s/it] 710it [15:33, 1.32s/it] 711it [15:34, 1.31s/it] 712it [15:35, 1.32s/it] 713it [15:37, 1.32s/it] 714it [15:38, 1.33s/it] 715it [15:39, 1.33s/it] 716it [15:41, 1.32s/it] 717it [15:42, 1.32s/it] 718it [15:43, 1.34s/it] 719it [15:45, 1.35s/it] 720it [15:46, 1.34s/it] 721it [15:48, 1.35s/it] 722it [15:49, 1.35s/it] 723it [15:50, 1.34s/it] 724it [15:52, 1.34s/it] 725it [15:53, 1.33s/it] 726it [15:54, 1.33s/it] 727it [15:56, 1.34s/it] 728it [15:57, 1.34s/it] 729it [15:58, 1.34s/it] 730it [16:00, 1.33s/it] 731it [16:01, 1.33s/it] 732it [16:02, 1.33s/it] 733it [16:03, 1.33s/it] 734it [16:05, 1.32s/it] 735it [16:06, 1.33s/it] 736it [16:08, 1.34s/it] 737it [16:09, 1.34s/it] 738it [16:10, 1.35s/it] 739it [16:12, 1.35s/it] 740it [16:13, 1.33s/it] 741it [16:14, 1.32s/it] 742it [16:16, 1.32s/it] 743it [16:17, 1.32s/it] 744it [16:18, 1.33s/it] 745it [16:20, 1.33s/it] 746it [16:21, 1.34s/it] 747it [16:22, 1.34s/it] 748it [16:24, 1.35s/it] 749it 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1.33s/it] 791it [17:21, 1.32s/it] 792it [17:23, 1.33s/it] 793it [17:24, 1.33s/it] 794it [17:25, 1.33s/it] 795it [17:27, 1.32s/it] 796it [17:28, 1.32s/it] 797it [17:29, 1.32s/it] 798it [17:30, 1.32s/it] 799it [17:32, 1.32s/it] 800it [17:33, 1.32s/it] 801it [17:34, 1.33s/it] 802it [17:36, 1.32s/it] 803it [17:37, 1.34s/it] 804it [17:39, 1.35s/it] 805it [17:40, 1.34s/it] 806it [17:41, 1.33s/it] 807it [17:42, 1.33s/it] 808it [17:44, 1.31s/it] 809it [17:45, 1.32s/it] 810it [17:46, 1.33s/it] 811it [17:48, 1.33s/it] 812it [17:49, 1.33s/it] 813it [17:50, 1.33s/it] 814it [17:52, 1.33s/it] 815it [17:53, 1.33s/it] 816it [17:54, 1.32s/it] 817it [17:56, 1.31s/it] 818it [17:57, 1.31s/it] 819it [17:58, 1.31s/it] 820it [18:00, 1.31s/it] 821it [18:01, 1.31s/it] 822it [18:02, 1.32s/it] 823it [18:04, 1.33s/it] 824it [18:05, 1.33s/it] 825it [18:06, 1.30s/it] 826it [18:08, 1.31s/it] 827it [18:09, 1.34s/it] 828it [18:10, 1.33s/it] 829it [18:12, 1.33s/it] 830it [18:13, 1.33s/it] 831it [18:14, 1.34s/it] 832it [18:16, 1.34s/it] 833it [18:17, 1.33s/it] 834it [18:18, 1.33s/it] 835it [18:20, 1.32s/it] 836it [18:21, 1.32s/it] 837it [18:22, 1.33s/it] 838it [18:24, 1.34s/it] 839it [18:25, 1.35s/it] 840it [18:26, 1.36s/it] 841it [18:28, 1.37s/it] 842it [18:29, 1.37s/it] 843it [18:30, 1.36s/it] 844it [18:32, 1.35s/it] 845it [18:33, 1.35s/it] 846it [18:34, 1.34s/it] 847it [18:36, 1.33s/it] 848it [18:37, 1.33s/it] 849it [18:38, 1.32s/it] 850it [18:40, 1.33s/it] 851it [18:41, 1.33s/it] 852it [18:42, 1.32s/it] 853it [18:44, 1.32s/it] 854it [18:45, 1.31s/it] 855it [18:46, 1.30s/it] 856it [18:48, 1.31s/it] 857it [18:49, 1.32s/it] 858it [18:50, 1.32s/it] 859it [18:52, 1.32s/it] 860it [18:53, 1.31s/it] 861it [18:54, 1.32s/it] 862it [18:55, 1.32s/it] 863it [18:57, 1.32s/it] 864it [18:58, 1.31s/it] 865it [18:59, 1.31s/it] 866it [19:01, 1.31s/it] 867it [19:02, 1.32s/it] 868it [19:03, 1.33s/it] 869it [19:05, 1.34s/it] 870it [19:06, 1.35s/it] 871it [19:08, 1.36s/it] 872it [19:09, 1.36s/it] 873it [19:10, 1.36s/it] 874it [19:12, 1.36s/it] 875it [19:13, 1.36s/it] 876it [19:14, 1.35s/it] 877it [19:16, 1.35s/it] 878it [19:17, 1.35s/it] 879it [19:18, 1.35s/it] 880it [19:20, 1.37s/it] 881it [19:21, 1.36s/it] 882it [19:22, 1.36s/it] 883it [19:24, 1.36s/it] 884it [19:25, 1.34s/it] 885it [19:26, 1.33s/it] 886it [19:28, 1.33s/it] 887it [19:29, 1.33s/it] 888it [19:30, 1.33s/it] 889it [19:32, 1.35s/it] 890it [19:33, 1.35s/it] 891it [19:35, 1.36s/it] 892it [19:36, 1.36s/it] 893it [19:37, 1.36s/it] 894it [19:39, 1.36s/it] 895it [19:40, 1.37s/it] 896it [19:41, 1.37s/it] 897it [19:43, 1.37s/it] 898it [19:44, 1.37s/it] 899it [19:46, 1.38s/it] 900it [19:47, 1.39s/it] 901it [19:48, 1.40s/it] 902it [19:50, 1.38s/it] 903it [19:51, 1.33s/it] 904it [19:52, 1.31s/it] 905it [19:54, 1.32s/it] 906it [19:55, 1.33s/it] 907it [19:56, 1.33s/it] 908it [19:58, 1.35s/it] 909it [19:59, 1.36s/it] 910it [20:00, 1.36s/it] 911it [20:02, 1.36s/it] 912it [20:03, 1.37s/it] 913it [20:04, 1.36s/it] 914it [20:06, 1.35s/it] 915it [20:07, 1.36s/it] 916it [20:08, 1.35s/it] 917it [20:10, 1.34s/it] 918it [20:11, 1.35s/it] 919it [20:13, 1.35s/it] 920it [20:14, 1.35s/it] 921it [20:15, 1.36s/it] 922it [20:17, 1.34s/it] 923it [20:18, 1.33s/it] 924it [20:19, 1.32s/it] 925it [20:20, 1.32s/it] 926it [20:22, 1.34s/it] 927it [20:23, 1.35s/it] 928it [20:25, 1.36s/it] 929it [20:26, 1.36s/it] 930it [20:27, 1.37s/it] 931it [20:29, 1.37s/it] 932it [20:30, 1.36s/it] 933it [20:31, 1.36s/it] 934it [20:33, 1.36s/it] 935it [20:34, 1.36s/it] 936it [20:35, 1.35s/it] 937it [20:37, 1.35s/it] 938it [20:38, 1.34s/it] 939it [20:40, 1.35s/it] 940it [20:41, 1.35s/it] 941it [20:42, 1.34s/it] 942it [20:44, 1.34s/it] 943it [20:45, 1.34s/it] 944it [20:46, 1.35s/it] 945it [20:48, 1.36s/it] 946it [20:49, 1.36s/it] 947it [20:50, 1.36s/it] 948it [20:52, 1.36s/it] 949it [20:53, 1.35s/it] 950it [20:54, 1.35s/it] 951it [20:56, 1.34s/it] 952it [20:57, 1.33s/it] 953it [20:58, 1.33s/it] 954it [21:00, 1.33s/it] 955it [21:01, 1.32s/it] 956it [21:02, 1.30s/it] 957it [21:04, 1.30s/it] 958it [21:05, 1.30s/it] 959it [21:06, 1.29s/it] 960it [21:07, 1.30s/it] 961it [21:09, 1.30s/it] 962it [21:10, 1.30s/it] 963it [21:11, 1.30s/it] 964it [21:13, 1.30s/it] 965it [21:14, 1.30s/it] 966it [21:15, 1.29s/it] 967it [21:16, 1.29s/it] 968it [21:18, 1.29s/it] 969it [21:19, 1.29s/it] 970it [21:20, 1.29s/it] 971it [21:22, 1.30s/it] 972it [21:23, 1.29s/it] 973it [21:24, 1.32s/it] 974it [21:26, 1.32s/it] 975it [21:27, 1.33s/it] 976it [21:28, 1.32s/it] 977it [21:30, 1.33s/it] 978it [21:31, 1.33s/it] 979it [21:32, 1.33s/it] 980it [21:34, 1.34s/it] 981it [21:35, 1.34s/it] 982it [21:36, 1.33s/it] 983it [21:38, 1.34s/it] 984it [21:39, 1.34s/it] 985it [21:40, 1.35s/it] 986it [21:42, 1.35s/it] 987it [21:43, 1.36s/it] 988it [21:44, 1.36s/it] 989it [21:46, 1.36s/it] 990it [21:47, 1.36s/it] 991it [21:49, 1.36s/it] 992it [21:50, 1.36s/it] 993it [21:51, 1.36s/it] 994it [21:53, 1.37s/it] 995it [21:54, 1.38s/it] 996it [21:55, 1.37s/it] 997it [21:57, 1.36s/it] 998it [21:58, 1.37s/it] 999it [21:59, 1.36s/it] 1000it [22:01, 1.36s/it] 1000it [22:01, 1.32s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:23:16.248066 +⏰ Completed process in 0:22:01.817518 diff --git a/chunked/d4-dock_115.csv.gz b/chunked/d4-dock_115.csv.gz index a0ba3c43163083db88f98af230232cada59b2a6a..eac8707bf919ae7740bc085f7816e9463da10787 100644 --- a/chunked/d4-dock_115.csv.gz +++ b/chunked/d4-dock_115.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:effc63c856c25c99b6c2ebc5e29f6e8b3cb52abbbc51748e83460d2d751636c8 -size 31290840 +oid sha256:8cdc19eebdfc1e810e42e760847bd544b750dd301fe08db650291ae405be37fe +size 31290841 diff --git a/chunked/d4-dock_115.log b/chunked/d4-dock_115.log index 5a273adbf759c034addb8c067943154eca42ca69..c47629c0e632745be0001e44aa0327ecdf4cb9ae 100644 --- a/chunked/d4-dock_115.log +++ b/chunked/d4-dock_115.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.43s/it] 2it [00:02, 1.42s/it] 3it [00:04, 1.41s/it] 4it [00:05, 1.41s/it] 5it [00:07, 1.41s/it] 6it [00:08, 1.39s/it] 7it [00:09, 1.38s/it] 8it [00:11, 1.37s/it] 9it [00:12, 1.38s/it] 10it [00:13, 1.39s/it] 11it [00:15, 1.39s/it] 12it [00:16, 1.40s/it] 13it [00:18, 1.39s/it] 14it [00:19, 1.39s/it] 15it [00:20, 1.38s/it] 16it [00:22, 1.39s/it] 17it [00:23, 1.39s/it] 18it [00:25, 1.38s/it] 19it [00:26, 1.39s/it] 20it [00:27, 1.40s/it] 21it [00:29, 1.39s/it] 22it [00:30, 1.40s/it] 23it [00:32, 1.40s/it] 24it [00:33, 1.40s/it] 25it [00:34, 1.39s/it] 26it [00:36, 1.40s/it] 27it [00:37, 1.41s/it] 28it [00:39, 1.41s/it] 29it [00:40, 1.41s/it] 30it [00:41, 1.40s/it] 31it [00:43, 1.39s/it] 32it [00:44, 1.39s/it] 33it [00:45, 1.38s/it] 34it [00:47, 1.38s/it] 35it [00:48, 1.37s/it] 36it [00:50, 1.37s/it] 37it [00:51, 1.37s/it] 38it [00:52, 1.37s/it] 39it [00:54, 1.38s/it] 40it [00:55, 1.38s/it] 41it [00:56, 1.37s/it] 42it [00:58, 1.38s/it] 43it [00:59, 1.38s/it] 44it [01:01, 1.39s/it] 45it [01:02, 1.38s/it] 46it [01:03, 1.38s/it] 47it [01:05, 1.39s/it] 48it [01:06, 1.39s/it] 49it [01:08, 1.38s/it] 50it [01:09, 1.38s/it] 51it [01:10, 1.37s/it] 52it [01:12, 1.38s/it] 53it [01:13, 1.38s/it] 54it [01:14, 1.38s/it] 55it [01:16, 1.39s/it] 56it [01:17, 1.38s/it] 57it [01:19, 1.39s/it] 58it [01:20, 1.40s/it] 59it [01:21, 1.40s/it] 60it [01:23, 1.39s/it] 61it [01:24, 1.40s/it] 62it [01:26, 1.41s/it] 63it [01:27, 1.43s/it] 64it [01:28, 1.41s/it] 65it [01:30, 1.41s/it] 66it [01:31, 1.40s/it] 67it [01:33, 1.40s/it] 68it [01:34, 1.40s/it] 69it [01:35, 1.39s/it] 70it [01:37, 1.39s/it] 71it [01:38, 1.40s/it] 72it [01:40, 1.40s/it] 73it [01:41, 1.40s/it] 74it [01:42, 1.39s/it] 75it [01:44, 1.39s/it] 76it [01:45, 1.41s/it] 77it [01:47, 1.40s/it] 78it [01:48, 1.40s/it] 79it [01:49, 1.39s/it] 80it [01:51, 1.39s/it] 81it [01:52, 1.38s/it] 82it [01:53, 1.37s/it] 83it [01:55, 1.36s/it] 84it [01:56, 1.38s/it] 85it [01:58, 1.37s/it] 86it [01:59, 1.38s/it] 87it [02:00, 1.38s/it] 88it [02:02, 1.37s/it] 89it [02:03, 1.37s/it] 90it [02:04, 1.37s/it] 91it [02:06, 1.38s/it] 92it [02:07, 1.37s/it] 93it [02:09, 1.35s/it] 94it [02:10, 1.36s/it] 95it [02:11, 1.36s/it] 96it [02:13, 1.36s/it] 97it [02:14, 1.37s/it] 98it [02:15, 1.37s/it] 99it [02:17, 1.38s/it] 100it [02:18, 1.38s/it] 101it [02:20, 1.38s/it] 102it [02:21, 1.38s/it] 103it [02:22, 1.37s/it] 104it [02:24, 1.38s/it] 105it [02:25, 1.38s/it] 106it [02:26, 1.38s/it] 107it [02:28, 1.39s/it] 108it [02:29, 1.39s/it] 109it [02:31, 1.38s/it] 110it [02:32, 1.38s/it] 111it [02:33, 1.39s/it] 112it [02:35, 1.40s/it] 113it [02:36, 1.41s/it] 114it [02:38, 1.41s/it] 115it [02:39, 1.40s/it] 116it [02:40, 1.40s/it] 117it [02:42, 1.40s/it] 118it [02:43, 1.40s/it] 119it [02:45, 1.39s/it] 120it [02:46, 1.39s/it] 121it [02:47, 1.39s/it] 122it [02:49, 1.39s/it] 123it [02:50, 1.38s/it] 124it [02:52, 1.38s/it] 125it [02:53, 1.38s/it] 126it [02:54, 1.38s/it] 127it [02:56, 1.38s/it] 128it [02:57, 1.39s/it] 129it [02:58, 1.39s/it] 130it [03:00, 1.39s/it] 131it [03:01, 1.38s/it] 132it [03:03, 1.38s/it] 133it [03:04, 1.39s/it] 134it [03:05, 1.39s/it] 135it [03:07, 1.39s/it] 136it [03:08, 1.39s/it] 137it [03:10, 1.39s/it] 138it [03:11, 1.38s/it] 139it [03:12, 1.37s/it] 140it [03:14, 1.37s/it] 141it [03:15, 1.37s/it] 142it [03:16, 1.38s/it] 143it [03:18, 1.38s/it] 144it [03:19, 1.38s/it] 145it [03:21, 1.39s/it] 146it [03:22, 1.39s/it] 147it [03:23, 1.39s/it] 148it [03:25, 1.39s/it] 149it [03:26, 1.38s/it] 150it [03:28, 1.38s/it] 151it [03:29, 1.38s/it] 152it [03:30, 1.37s/it] 153it [03:32, 1.38s/it] 154it [03:33, 1.37s/it] 155it [03:34, 1.38s/it] 156it [03:36, 1.37s/it] 157it [03:37, 1.36s/it] 158it [03:38, 1.36s/it] 159it [03:40, 1.35s/it] 160it [03:41, 1.35s/it] 161it [03:42, 1.35s/it] 162it [03:44, 1.35s/it] 163it [03:45, 1.36s/it] 164it [03:47, 1.35s/it] 165it [03:48, 1.36s/it] 166it [03:49, 1.36s/it] 167it [03:51, 1.37s/it] 168it [03:52, 1.38s/it] 169it [03:53, 1.37s/it] 170it [03:55, 1.37s/it] 171it [03:56, 1.37s/it] 172it [03:58, 1.37s/it] 173it [03:59, 1.38s/it] 174it [04:00, 1.37s/it] 175it [04:02, 1.37s/it] 176it [04:03, 1.37s/it] 177it [04:04, 1.38s/it] 178it [04:06, 1.37s/it] 179it [04:07, 1.36s/it] 180it [04:08, 1.37s/it] 181it [04:10, 1.38s/it] 182it [04:11, 1.37s/it] 183it [04:13, 1.37s/it] 184it [04:14, 1.36s/it] 185it [04:15, 1.35s/it] 186it [04:17, 1.35s/it] 187it [04:18, 1.36s/it] 188it [04:19, 1.37s/it] 189it [04:21, 1.38s/it] 190it [04:22, 1.38s/it] 191it [04:24, 1.38s/it] 192it [04:25, 1.39s/it] 193it [04:26, 1.40s/it] 194it [04:28, 1.40s/it] 195it [04:29, 1.39s/it] 196it [04:31, 1.39s/it] 197it [04:32, 1.38s/it] 198it [04:33, 1.36s/it] 199it [04:35, 1.36s/it] 200it [04:36, 1.35s/it] 201it [04:37, 1.35s/it] 202it [04:39, 1.34s/it] 203it [04:40, 1.35s/it] 204it [04:41, 1.36s/it] 205it [04:43, 1.36s/it] 206it [04:44, 1.37s/it] 207it [04:45, 1.37s/it] 208it [04:47, 1.38s/it] 209it [04:48, 1.38s/it] 210it [04:50, 1.38s/it] 211it [04:51, 1.37s/it] 212it [04:52, 1.37s/it] 213it [04:54, 1.37s/it] 214it [04:55, 1.37s/it] 215it [04:56, 1.38s/it] 216it [04:58, 1.38s/it] 217it [04:59, 1.37s/it] 218it [05:01, 1.37s/it] 219it [05:02, 1.39s/it] 220it [05:03, 1.39s/it] 221it [05:05, 1.39s/it] 222it [05:06, 1.38s/it] 223it [05:07, 1.37s/it] 224it [05:09, 1.37s/it] 225it [05:10, 1.37s/it] 226it [05:12, 1.38s/it] 227it [05:13, 1.38s/it] 228it [05:14, 1.39s/it] 229it [05:16, 1.38s/it] 230it [05:17, 1.38s/it] 231it [05:19, 1.39s/it] 232it [05:20, 1.40s/it] 233it [05:21, 1.39s/it] 234it [05:23, 1.38s/it] 235it [05:24, 1.38s/it] 236it [05:25, 1.38s/it] 237it [05:27, 1.38s/it] 238it [05:28, 1.37s/it] 239it [05:30, 1.36s/it] 240it [05:31, 1.37s/it] 241it [05:32, 1.37s/it] 242it [05:34, 1.38s/it] 243it [05:35, 1.38s/it] 244it [05:36, 1.38s/it] 245it [05:38, 1.38s/it] 246it [05:39, 1.38s/it] 247it [05:41, 1.38s/it] 248it [05:42, 1.38s/it] 249it [05:43, 1.37s/it] 250it [05:45, 1.38s/it] 251it [05:46, 1.37s/it] 252it [05:47, 1.37s/it] 253it [05:49, 1.37s/it] 254it [05:50, 1.37s/it] 255it [05:52, 1.38s/it] 256it [05:53, 1.37s/it] 257it [05:54, 1.36s/it] 258it [05:56, 1.36s/it] 259it [05:57, 1.37s/it] 260it [05:58, 1.36s/it] 261it [06:00, 1.37s/it] 262it [06:01, 1.37s/it] 263it [06:03, 1.37s/it] 264it [06:04, 1.36s/it] 265it [06:05, 1.37s/it] 266it [06:07, 1.37s/it] 267it [06:08, 1.36s/it] 268it [06:09, 1.37s/it] 269it [06:11, 1.36s/it] 270it [06:12, 1.36s/it] 271it [06:13, 1.36s/it] 272it [06:15, 1.36s/it] 273it [06:16, 1.37s/it] 274it [06:18, 1.39s/it] 275it [06:19, 1.40s/it] 276it [06:20, 1.39s/it] 277it [06:22, 1.39s/it] 278it [06:23, 1.38s/it] 279it [06:25, 1.38s/it] 280it [06:26, 1.37s/it] 281it [06:27, 1.37s/it] 282it [06:29, 1.37s/it] 283it [06:30, 1.38s/it] 284it [06:31, 1.38s/it] 285it [06:33, 1.40s/it] 286it [06:34, 1.40s/it] 287it [06:36, 1.39s/it] 288it [06:37, 1.39s/it] 289it [06:38, 1.39s/it] 290it [06:40, 1.40s/it] 291it [06:41, 1.39s/it] 292it [06:43, 1.39s/it] 293it [06:44, 1.39s/it] 294it [06:45, 1.40s/it] 295it [06:47, 1.41s/it] 296it [06:48, 1.41s/it] 297it [06:50, 1.41s/it] 298it [06:51, 1.42s/it] 299it [06:52, 1.42s/it] 300it [06:54, 1.42s/it] 301it [06:55, 1.42s/it] 302it [06:57, 1.41s/it] 303it [06:58, 1.40s/it] 304it [07:00, 1.41s/it] 305it [07:01, 1.40s/it] 306it [07:02, 1.40s/it] 307it [07:04, 1.42s/it] 308it [07:05, 1.45s/it] 309it [07:07, 1.45s/it] 310it [07:08, 1.45s/it] 311it [07:10, 1.43s/it] 312it [07:11, 1.44s/it] 313it [07:12, 1.45s/it] 314it [07:14, 1.45s/it] 315it [07:15, 1.45s/it] 316it [07:17, 1.45s/it] 317it [07:18, 1.45s/it] 318it [07:20, 1.45s/it] 319it [07:21, 1.45s/it] 320it [07:23, 1.44s/it] 321it [07:24, 1.44s/it] 322it [07:25, 1.42s/it] 323it [07:27, 1.40s/it] 324it [07:28, 1.38s/it] 325it [07:29, 1.36s/it] 326it [07:31, 1.35s/it] 327it [07:32, 1.34s/it] 328it [07:33, 1.35s/it] 329it [07:35, 1.36s/it] 330it [07:36, 1.36s/it] 331it [07:38, 1.37s/it] 332it [07:39, 1.37s/it] 333it [07:40, 1.38s/it] 334it [07:42, 1.39s/it] 335it [07:43, 1.39s/it] 336it [07:45, 1.39s/it] 337it [07:46, 1.40s/it] 338it [07:47, 1.40s/it] 339it [07:49, 1.38s/it] 340it [07:50, 1.39s/it] 341it [07:52, 1.40s/it] 342it [07:53, 1.41s/it] 343it [07:54, 1.41s/it] 344it [07:56, 1.41s/it] 345it [07:57, 1.41s/it] 346it [07:59, 1.43s/it] 347it [08:00, 1.44s/it] 348it [08:01, 1.41s/it] 349it [08:03, 1.39s/it] 350it [08:04, 1.39s/it] 351it [08:06, 1.39s/it] 352it [08:07, 1.39s/it] 353it [08:08, 1.39s/it] 354it [08:10, 1.39s/it] 355it [08:11, 1.40s/it] 356it [08:13, 1.40s/it] 357it [08:14, 1.42s/it] 358it [08:15, 1.41s/it] 359it [08:17, 1.40s/it] 360it [08:18, 1.40s/it] 361it [08:20, 1.39s/it] 362it [08:21, 1.39s/it] 363it [08:22, 1.40s/it] 364it [08:24, 1.38s/it] 365it [08:25, 1.39s/it] 366it [08:27, 1.39s/it] 367it [08:28, 1.39s/it] 368it [08:29, 1.40s/it] 369it [08:31, 1.41s/it] 370it [08:32, 1.41s/it] 371it [08:34, 1.41s/it] 372it [08:35, 1.41s/it] 373it [08:36, 1.42s/it] 374it [08:38, 1.42s/it] 375it [08:39, 1.42s/it] 376it [08:41, 1.43s/it] 377it [08:42, 1.43s/it] 378it [08:44, 1.42s/it] 379it [08:45, 1.41s/it] 380it [08:46, 1.41s/it] 381it [08:48, 1.41s/it] 382it [08:49, 1.41s/it] 383it [08:51, 1.41s/it] 384it [08:52, 1.41s/it] 385it [08:53, 1.41s/it] 386it [08:55, 1.41s/it] 387it [08:56, 1.40s/it] 388it [08:58, 1.41s/it] 389it [08:59, 1.41s/it] 390it [09:00, 1.41s/it] 391it [09:02, 1.40s/it] 392it [09:03, 1.40s/it] 393it [09:05, 1.41s/it] 394it [09:06, 1.41s/it] 395it [09:07, 1.41s/it] 396it [09:09, 1.41s/it] 397it [09:10, 1.41s/it] 398it [09:12, 1.41s/it] 399it [09:13, 1.42s/it] 400it [09:14, 1.40s/it] 401it [09:16, 1.41s/it] 402it [09:17, 1.42s/it] 403it [09:19, 1.42s/it] 404it [09:20, 1.41s/it] 405it [09:22, 1.41s/it] 406it [09:23, 1.41s/it] 407it [09:24, 1.41s/it] 408it [09:26, 1.42s/it] 409it [09:27, 1.41s/it] 410it [09:29, 1.41s/it] 411it [09:30, 1.42s/it] 412it [09:31, 1.42s/it] 413it [09:33, 1.41s/it] 414it [09:34, 1.39s/it] 415it [09:36, 1.40s/it] 416it [09:37, 1.39s/it] 417it [09:38, 1.40s/it] 418it [09:40, 1.41s/it] 419it [09:41, 1.42s/it] 420it [09:43, 1.42s/it] 421it [09:44, 1.41s/it] 422it [09:46, 1.40s/it] 423it [09:47, 1.40s/it] 424it [09:48, 1.41s/it] 425it [09:50, 1.41s/it] 426it [09:51, 1.42s/it] 427it [09:53, 1.40s/it] 428it [09:54, 1.41s/it] 429it [09:55, 1.41s/it] 430it [09:57, 1.41s/it] 431it [09:58, 1.41s/it] 432it [10:00, 1.41s/it] 433it [10:01, 1.39s/it] 434it [10:02, 1.39s/it] 435it [10:04, 1.39s/it] 436it [10:05, 1.38s/it] 437it [10:06, 1.38s/it] 438it [10:08, 1.38s/it] 439it [10:09, 1.39s/it] 440it [10:11, 1.40s/it] 441it [10:12, 1.41s/it] 442it [10:14, 1.42s/it] 443it [10:15, 1.40s/it] 444it [10:16, 1.41s/it] 445it [10:18, 1.42s/it] 446it [10:19, 1.42s/it] 447it [10:21, 1.43s/it] 448it [10:22, 1.42s/it] 449it [10:24, 1.42s/it] 450it [10:25, 1.41s/it] 451it [10:26, 1.43s/it] 452it [10:28, 1.42s/it] 453it [10:29, 1.43s/it] 454it [10:31, 1.42s/it] 455it 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[20:24, 1.33s/it] 911it [20:25, 1.33s/it] 912it [20:27, 1.33s/it] 913it [20:28, 1.34s/it] 914it [20:29, 1.34s/it] 915it [20:31, 1.34s/it] 916it [20:32, 1.34s/it] 917it [20:33, 1.35s/it] 918it [20:35, 1.35s/it] 919it [20:36, 1.34s/it] 920it [20:37, 1.34s/it] 921it [20:39, 1.35s/it] 922it [20:40, 1.34s/it] 923it [20:41, 1.34s/it] 924it [20:43, 1.33s/it] 925it [20:44, 1.33s/it] 926it [20:45, 1.33s/it] 927it [20:47, 1.35s/it] 928it [20:48, 1.36s/it] 929it [20:50, 1.36s/it] 930it [20:51, 1.36s/it] 931it [20:52, 1.35s/it] 932it [20:54, 1.34s/it] 933it [20:55, 1.34s/it] 934it [20:56, 1.34s/it] 935it [20:58, 1.35s/it] 936it [20:59, 1.36s/it] 937it [21:00, 1.36s/it] 938it [21:02, 1.36s/it] 939it [21:03, 1.37s/it] 940it [21:04, 1.36s/it] 941it [21:06, 1.35s/it] 942it [21:07, 1.36s/it] 943it [21:08, 1.35s/it] 944it [21:10, 1.35s/it] 945it [21:11, 1.36s/it] 946it [21:13, 1.36s/it] 947it [21:14, 1.35s/it] 948it [21:15, 1.35s/it] 949it [21:17, 1.35s/it] 950it [21:18, 1.36s/it] 951it [21:19, 1.36s/it] 952it [21:21, 1.36s/it] 953it [21:22, 1.37s/it] 954it [21:24, 1.39s/it] 955it [21:25, 1.40s/it] 956it [21:26, 1.40s/it] 957it [21:28, 1.41s/it] 958it [21:29, 1.41s/it] 959it [21:31, 1.40s/it] 960it [21:32, 1.40s/it] 961it [21:33, 1.41s/it] 962it [21:35, 1.42s/it] 963it [21:36, 1.41s/it] 964it [21:38, 1.41s/it] 965it [21:39, 1.42s/it] 966it [21:41, 1.43s/it] 967it [21:42, 1.42s/it] 968it [21:43, 1.42s/it] 969it [21:45, 1.40s/it] 970it [21:46, 1.41s/it] 971it [21:48, 1.40s/it] 972it [21:49, 1.40s/it] 973it [21:50, 1.38s/it] 974it [21:52, 1.37s/it] 975it [21:53, 1.35s/it] 976it [21:54, 1.35s/it] 977it [21:56, 1.34s/it] 978it [21:57, 1.32s/it] 979it [21:58, 1.31s/it] 980it [21:59, 1.30s/it] 981it [22:01, 1.32s/it] 982it [22:02, 1.31s/it] 983it [22:03, 1.32s/it] 984it [22:05, 1.32s/it] 985it [22:06, 1.33s/it] 986it [22:07, 1.32s/it] 987it [22:09, 1.32s/it] 988it [22:10, 1.33s/it] 989it [22:11, 1.33s/it] 990it [22:13, 1.34s/it] 991it [22:14, 1.35s/it] 992it [22:15, 1.34s/it] 993it [22:17, 1.34s/it] 994it [22:18, 1.34s/it] 995it [22:20, 1.35s/it] 996it [22:21, 1.35s/it] 997it [22:22, 1.35s/it] 998it [22:24, 1.34s/it] 999it [22:25, 1.34s/it] 1000it [22:26, 1.34s/it] 1000it [22:26, 1.35s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:23:09.094544 +⏰ Completed process in 0:22:27.201818 diff --git a/chunked/d4-dock_116.csv.gz b/chunked/d4-dock_116.csv.gz index 77a9174bb1aebe49d1e995dee44cd1a3db4d5b35..0860a7eaeed9619a65d636d85f6290673548c091 100644 --- a/chunked/d4-dock_116.csv.gz +++ b/chunked/d4-dock_116.csv.gz @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:7bc390f8c5c79b2d107311d542ec86127959a68a61dca0a2e58fe208304c6d19 -size 7784318 +oid sha256:a636e054b037eb53321ef71fe8cddc87c990b397b74ca33c156d8f752a38aa65 +size 7784298 diff --git a/chunked/d4-dock_116.log b/chunked/d4-dock_116.log index db0b95d7ca43982bc147c7c966ea9acc5044febf..26d3f31436837ae4f0457e429254c8b4e46e17f9 100644 --- a/chunked/d4-dock_116.log +++ b/chunked/d4-dock_116.log @@ -10,8 +10,8 @@ Failed to patch pandas - PandasTools will have limited functionality prefix: None to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] - func: - 0it [00:00, ?it/s] 1it [00:01, 1.35s/it] 2it [00:02, 1.34s/it] 3it [00:04, 1.34s/it] 4it [00:05, 1.34s/it] 5it [00:06, 1.34s/it] 6it [00:07, 1.33s/it] 7it [00:09, 1.33s/it] 8it [00:10, 1.33s/it] 9it [00:12, 1.34s/it] 10it [00:13, 1.35s/it] 11it [00:14, 1.35s/it] 12it [00:16, 1.35s/it] 13it [00:17, 1.34s/it] 14it [00:18, 1.33s/it] 15it [00:20, 1.34s/it] 16it [00:21, 1.34s/it] 17it [00:22, 1.32s/it] 18it [00:23, 1.31s/it] 19it [00:25, 1.32s/it] 20it [00:26, 1.31s/it] 21it [00:28, 1.33s/it] 22it [00:29, 1.33s/it] 23it [00:30, 1.34s/it] 24it [00:32, 1.34s/it] 25it [00:33, 1.34s/it] 26it [00:34, 1.33s/it] 27it [00:36, 1.34s/it] 28it [00:37, 1.33s/it] 29it [00:38, 1.34s/it] 30it [00:40, 1.33s/it] 31it [00:41, 1.33s/it] 32it [00:42, 1.33s/it] 33it [00:44, 1.34s/it] 34it [00:45, 1.35s/it] 35it [00:46, 1.35s/it] 36it [00:48, 1.33s/it] 37it [00:49, 1.33s/it] 38it [00:50, 1.33s/it] 39it [00:52, 1.33s/it] 40it [00:53, 1.34s/it] 41it [00:54, 1.35s/it] 42it [00:56, 1.35s/it] 43it [00:57, 1.34s/it] 44it [00:58, 1.33s/it] 45it [01:00, 1.34s/it] 46it [01:01, 1.34s/it] 47it [01:02, 1.33s/it] 48it [01:04, 1.33s/it] 49it [01:05, 1.34s/it] 50it [01:06, 1.33s/it] 51it [01:08, 1.33s/it] 52it [01:09, 1.34s/it] 53it [01:10, 1.34s/it] 54it [01:12, 1.34s/it] 55it [01:13, 1.35s/it] 56it [01:14, 1.34s/it] 57it [01:16, 1.34s/it] 58it [01:17, 1.34s/it] 59it [01:18, 1.34s/it] 60it [01:20, 1.35s/it] 61it [01:21, 1.35s/it] 62it [01:22, 1.36s/it] 63it [01:24, 1.37s/it] 64it [01:25, 1.38s/it] 65it [01:27, 1.39s/it] 66it [01:28, 1.39s/it] 67it [01:29, 1.38s/it] 68it [01:31, 1.38s/it] 69it [01:32, 1.39s/it] 70it [01:34, 1.40s/it] 71it [01:35, 1.38s/it] 72it [01:36, 1.37s/it] 73it [01:38, 1.37s/it] 74it [01:39, 1.37s/it] 75it [01:40, 1.36s/it] 76it [01:42, 1.35s/it] 77it [01:43, 1.34s/it] 78it [01:44, 1.34s/it] 79it [01:46, 1.35s/it] 80it [01:47, 1.34s/it] 81it [01:48, 1.33s/it] 82it [01:50, 1.33s/it] 83it [01:51, 1.33s/it] 84it [01:52, 1.33s/it] 85it [01:54, 1.36s/it] 86it [01:55, 1.34s/it] 87it [01:56, 1.34s/it] 88it [01:58, 1.35s/it] 89it [01:59, 1.34s/it] 90it [02:00, 1.34s/it] 91it [02:02, 1.35s/it] 92it [02:03, 1.37s/it] 93it [02:05, 1.35s/it] 94it [02:06, 1.35s/it] 95it [02:07, 1.35s/it] 96it [02:09, 1.36s/it] 97it [02:10, 1.35s/it] 98it [02:11, 1.34s/it] 99it [02:13, 1.36s/it] 100it [02:14, 1.36s/it] 101it [02:15, 1.37s/it] 102it [02:17, 1.37s/it] 103it [02:18, 1.36s/it] 104it [02:19, 1.36s/it] 105it [02:21, 1.36s/it] 106it [02:22, 1.36s/it] 107it [02:24, 1.37s/it] 108it [02:25, 1.37s/it] 109it [02:26, 1.37s/it] 110it [02:28, 1.38s/it] 111it [02:29, 1.36s/it] 112it [02:30, 1.36s/it] 113it [02:32, 1.35s/it] 114it [02:33, 1.34s/it] 115it [02:34, 1.35s/it] 116it [02:36, 1.36s/it] 117it [02:37, 1.37s/it] 118it [02:39, 1.37s/it] 119it [02:40, 1.37s/it] 120it [02:41, 1.37s/it] 121it [02:43, 1.37s/it] 122it [02:44, 1.37s/it] 123it [02:45, 1.36s/it] 124it [02:47, 1.37s/it] 125it [02:48, 1.37s/it] 126it [02:50, 1.37s/it] 127it [02:51, 1.37s/it] 128it [02:52, 1.37s/it] 129it [02:54, 1.38s/it] 130it [02:55, 1.37s/it] 131it [02:56, 1.33s/it] 132it [02:58, 1.32s/it] 133it [02:59, 1.33s/it] 134it [03:00, 1.34s/it] 135it [03:02, 1.35s/it] 136it [03:03, 1.35s/it] 137it [03:04, 1.36s/it] 138it [03:06, 1.37s/it] 139it [03:07, 1.36s/it] 140it [03:08, 1.35s/it] 141it [03:10, 1.36s/it] 142it [03:11, 1.37s/it] 143it [03:13, 1.38s/it] 144it [03:14, 1.37s/it] 145it [03:15, 1.36s/it] 146it [03:17, 1.36s/it] 147it [03:18, 1.36s/it] 148it [03:19, 1.36s/it] 149it [03:21, 1.37s/it] 150it [03:22, 1.35s/it] 151it [03:23, 1.35s/it] 152it [03:25, 1.36s/it] 153it [03:26, 1.35s/it] 154it [03:27, 1.34s/it] 155it [03:29, 1.34s/it] 156it [03:30, 1.35s/it] 157it [03:31, 1.35s/it] 158it [03:33, 1.35s/it] 159it [03:34, 1.36s/it] 160it [03:36, 1.35s/it] 161it [03:37, 1.35s/it] 162it [03:38, 1.35s/it] 163it [03:40, 1.35s/it] 164it [03:41, 1.35s/it] 165it [03:42, 1.35s/it] 166it [03:44, 1.33s/it] 167it [03:45, 1.33s/it] 168it [03:46, 1.33s/it] 169it [03:48, 1.32s/it] 170it [03:49, 1.32s/it] 171it [03:50, 1.31s/it] 172it [03:51, 1.31s/it] 173it [03:53, 1.31s/it] 174it [03:54, 1.32s/it] 175it [03:55, 1.34s/it] 176it [03:57, 1.34s/it] 177it [03:58, 1.36s/it] 178it [04:00, 1.37s/it] 179it [04:01, 1.36s/it] 180it [04:02, 1.35s/it] 181it [04:04, 1.34s/it] 182it [04:05, 1.34s/it] 183it [04:06, 1.35s/it] 184it [04:08, 1.35s/it] 185it [04:09, 1.36s/it] 186it [04:10, 1.36s/it] 187it [04:12, 1.36s/it] 188it [04:13, 1.35s/it] 189it [04:14, 1.35s/it] 190it [04:16, 1.37s/it] 191it [04:17, 1.36s/it] 192it [04:19, 1.36s/it] 193it [04:20, 1.35s/it] 194it [04:21, 1.35s/it] 195it [04:23, 1.36s/it] 196it [04:24, 1.36s/it] 197it [04:25, 1.36s/it] 198it [04:27, 1.36s/it] 199it [04:28, 1.36s/it] 200it [04:29, 1.36s/it] 201it [04:31, 1.36s/it] 202it [04:32, 1.36s/it] 203it [04:34, 1.36s/it] 204it [04:35, 1.36s/it] 205it [04:36, 1.36s/it] 206it [04:38, 1.36s/it] 207it [04:39, 1.37s/it] 208it [04:40, 1.37s/it] 209it [04:42, 1.36s/it] 210it [04:43, 1.37s/it] 211it [04:44, 1.35s/it] 212it [04:46, 1.32s/it] 213it [04:47, 1.32s/it] 214it [04:48, 1.33s/it] 215it [04:50, 1.35s/it] 216it [04:51, 1.35s/it] 217it [04:52, 1.35s/it] 218it [04:54, 1.34s/it] 219it [04:55, 1.34s/it] 220it [04:56, 1.32s/it] 221it [04:58, 1.31s/it] 222it [04:59, 1.34s/it] 223it [05:00, 1.33s/it] 224it [05:02, 1.32s/it] 225it [05:03, 1.31s/it] 226it [05:04, 1.31s/it] 227it [05:06, 1.33s/it] 228it [05:07, 1.34s/it] 229it [05:08, 1.36s/it] 230it [05:10, 1.37s/it] 231it [05:11, 1.38s/it] 232it [05:13, 1.38s/it] 233it [05:14, 1.38s/it] 234it [05:15, 1.38s/it] 235it [05:17, 1.38s/it] 236it [05:18, 1.38s/it] 237it [05:19, 1.38s/it] 238it [05:21, 1.37s/it] 239it [05:22, 1.36s/it] 240it [05:23, 1.31s/it] 241it [05:24, 1.24s/it] 242it [05:25, 1.07it/s] 242it [05:25, 1.34s/it] + func: + 0it [00:00, ?it/s] 1it [00:01, 1.40s/it] 2it [00:02, 1.39s/it] 3it [00:04, 1.38s/it] 4it [00:05, 1.38s/it] 5it [00:06, 1.37s/it] 6it [00:08, 1.37s/it] 7it [00:09, 1.37s/it] 8it [00:10, 1.37s/it] 9it [00:12, 1.38s/it] 10it [00:13, 1.39s/it] 11it [00:15, 1.39s/it] 12it [00:16, 1.40s/it] 13it [00:17, 1.39s/it] 14it [00:19, 1.37s/it] 15it [00:20, 1.37s/it] 16it [00:22, 1.38s/it] 17it [00:23, 1.36s/it] 18it [00:24, 1.35s/it] 19it [00:26, 1.36s/it] 20it [00:27, 1.35s/it] 21it [00:28, 1.37s/it] 22it [00:30, 1.36s/it] 23it [00:31, 1.37s/it] 24it [00:32, 1.36s/it] 25it [00:34, 1.37s/it] 26it [00:35, 1.36s/it] 27it [00:36, 1.37s/it] 28it [00:38, 1.36s/it] 29it [00:39, 1.37s/it] 30it [00:41, 1.36s/it] 31it [00:42, 1.37s/it] 32it [00:43, 1.37s/it] 33it [00:45, 1.39s/it] 34it [00:46, 1.39s/it] 35it [00:48, 1.39s/it] 36it [00:49, 1.37s/it] 37it [00:50, 1.38s/it] 38it [00:52, 1.38s/it] 39it [00:53, 1.38s/it] 40it [00:54, 1.38s/it] 41it [00:56, 1.39s/it] 42it [00:57, 1.40s/it] 43it [00:59, 1.39s/it] 44it [01:00, 1.37s/it] 45it [01:01, 1.39s/it] 46it [01:03, 1.39s/it] 47it [01:04, 1.38s/it] 48it [01:06, 1.38s/it] 49it [01:07, 1.38s/it] 50it [01:08, 1.39s/it] 51it [01:10, 1.38s/it] 52it [01:11, 1.39s/it] 53it [01:13, 1.40s/it] 54it [01:14, 1.39s/it] 55it [01:15, 1.40s/it] 56it [01:17, 1.39s/it] 57it [01:18, 1.39s/it] 58it [01:19, 1.38s/it] 59it [01:21, 1.39s/it] 60it [01:22, 1.40s/it] 61it [01:24, 1.40s/it] 62it [01:25, 1.40s/it] 63it [01:26, 1.42s/it] 64it [01:28, 1.42s/it] 65it [01:29, 1.43s/it] 66it [01:31, 1.43s/it] 67it [01:32, 1.43s/it] 68it [01:34, 1.43s/it] 69it [01:35, 1.44s/it] 70it [01:37, 1.44s/it] 71it [01:38, 1.43s/it] 72it [01:39, 1.42s/it] 73it [01:41, 1.41s/it] 74it [01:42, 1.42s/it] 75it [01:44, 1.41s/it] 76it [01:45, 1.40s/it] 77it [01:46, 1.39s/it] 78it [01:48, 1.39s/it] 79it [01:49, 1.40s/it] 80it [01:50, 1.39s/it] 81it [01:52, 1.38s/it] 82it [01:53, 1.38s/it] 83it [01:55, 1.37s/it] 84it [01:56, 1.38s/it] 85it [01:57, 1.40s/it] 86it [01:59, 1.39s/it] 87it [02:00, 1.38s/it] 88it [02:02, 1.38s/it] 89it [02:03, 1.38s/it] 90it [02:04, 1.37s/it] 91it [02:06, 1.39s/it] 92it [02:07, 1.41s/it] 93it [02:09, 1.40s/it] 94it [02:10, 1.40s/it] 95it [02:11, 1.40s/it] 96it [02:13, 1.40s/it] 97it [02:14, 1.40s/it] 98it [02:16, 1.39s/it] 99it [02:17, 1.41s/it] 100it [02:18, 1.41s/it] 101it [02:20, 1.42s/it] 102it [02:21, 1.42s/it] 103it [02:23, 1.41s/it] 104it [02:24, 1.41s/it] 105it [02:25, 1.41s/it] 106it [02:27, 1.41s/it] 107it [02:28, 1.42s/it] 108it [02:30, 1.42s/it] 109it [02:31, 1.42s/it] 110it [02:33, 1.43s/it] 111it [02:34, 1.40s/it] 112it [02:35, 1.40s/it] 113it [02:37, 1.40s/it] 114it [02:38, 1.38s/it] 115it [02:39, 1.39s/it] 116it [02:41, 1.40s/it] 117it [02:42, 1.41s/it] 118it [02:44, 1.42s/it] 119it [02:45, 1.42s/it] 120it [02:47, 1.42s/it] 121it [02:48, 1.42s/it] 122it [02:49, 1.41s/it] 123it [02:51, 1.41s/it] 124it [02:52, 1.41s/it] 125it [02:54, 1.41s/it] 126it [02:55, 1.41s/it] 127it [02:56, 1.42s/it] 128it [02:58, 1.41s/it] 129it [02:59, 1.42s/it] 130it [03:01, 1.41s/it] 131it [03:02, 1.38s/it] 132it [03:03, 1.36s/it] 133it [03:05, 1.38s/it] 134it [03:06, 1.39s/it] 135it [03:08, 1.40s/it] 136it [03:09, 1.40s/it] 137it [03:10, 1.41s/it] 138it [03:12, 1.42s/it] 139it [03:13, 1.41s/it] 140it [03:15, 1.40s/it] 141it [03:16, 1.43s/it] 142it [03:18, 1.43s/it] 143it [03:19, 1.43s/it] 144it [03:20, 1.42s/it] 145it [03:22, 1.41s/it] 146it [03:23, 1.41s/it] 147it [03:25, 1.40s/it] 148it [03:26, 1.41s/it] 149it [03:27, 1.41s/it] 150it [03:29, 1.39s/it] 151it [03:30, 1.39s/it] 152it [03:32, 1.39s/it] 153it [03:33, 1.39s/it] 154it [03:34, 1.38s/it] 155it [03:36, 1.38s/it] 156it [03:37, 1.38s/it] 157it [03:38, 1.38s/it] 158it [03:40, 1.39s/it] 159it [03:41, 1.39s/it] 160it [03:43, 1.39s/it] 161it [03:44, 1.39s/it] 162it [03:45, 1.39s/it] 163it [03:47, 1.39s/it] 164it [03:48, 1.39s/it] 165it [03:50, 1.39s/it] 166it [03:51, 1.37s/it] 167it [03:52, 1.37s/it] 168it [03:54, 1.37s/it] 169it [03:55, 1.36s/it] 170it [03:56, 1.36s/it] 171it [03:58, 1.35s/it] 172it [03:59, 1.35s/it] 173it [04:00, 1.35s/it] 174it [04:02, 1.36s/it] 175it [04:03, 1.37s/it] 176it [04:04, 1.37s/it] 177it [04:06, 1.39s/it] 178it [04:07, 1.40s/it] 179it [04:09, 1.39s/it] 180it [04:10, 1.38s/it] 181it [04:11, 1.37s/it] 182it [04:13, 1.38s/it] 183it [04:14, 1.38s/it] 184it [04:16, 1.39s/it] 185it [04:17, 1.39s/it] 186it [04:18, 1.40s/it] 187it [04:20, 1.39s/it] 188it [04:21, 1.39s/it] 189it [04:23, 1.39s/it] 190it [04:24, 1.40s/it] 191it [04:25, 1.40s/it] 192it [04:27, 1.40s/it] 193it [04:28, 1.39s/it] 194it [04:30, 1.39s/it] 195it [04:31, 1.40s/it] 196it [04:32, 1.40s/it] 197it [04:34, 1.40s/it] 198it [04:35, 1.39s/it] 199it [04:37, 1.39s/it] 200it [04:38, 1.39s/it] 201it [04:39, 1.39s/it] 202it [04:41, 1.40s/it] 203it [04:42, 1.39s/it] 204it [04:43, 1.39s/it] 205it [04:45, 1.39s/it] 206it [04:46, 1.39s/it] 207it [04:48, 1.40s/it] 208it [04:49, 1.40s/it] 209it [04:50, 1.40s/it] 210it [04:52, 1.40s/it] 211it [04:53, 1.38s/it] 212it [04:55, 1.35s/it] 213it [04:56, 1.36s/it] 214it [04:57, 1.37s/it] 215it [04:59, 1.39s/it] 216it [05:00, 1.39s/it] 217it [05:01, 1.39s/it] 218it [05:03, 1.38s/it] 219it [05:04, 1.37s/it] 220it [05:06, 1.36s/it] 221it [05:07, 1.35s/it] 222it [05:08, 1.37s/it] 223it [05:10, 1.37s/it] 224it [05:11, 1.36s/it] 225it [05:12, 1.35s/it] 226it [05:14, 1.35s/it] 227it [05:15, 1.36s/it] 228it [05:16, 1.38s/it] 229it [05:18, 1.39s/it] 230it [05:19, 1.41s/it] 231it [05:21, 1.41s/it] 232it [05:22, 1.41s/it] 233it [05:24, 1.41s/it] 234it [05:25, 1.41s/it] 235it [05:26, 1.41s/it] 236it [05:28, 1.41s/it] 237it [05:29, 1.41s/it] 238it [05:31, 1.40s/it] 239it [05:32, 1.39s/it] 240it [05:33, 1.35s/it] 241it [05:34, 1.28s/it] 242it [05:35, 1.03it/s] 242it [05:35, 1.38s/it] Error counts: id: 0 smiles: 0 @@ -19,4 +19,4 @@ Error counts: mwt: 0 clogp: 0 tpsa: 0 -⏰ Completed process in 0:05:25.266593 +⏰ Completed process in 0:05:35.282341