Fri 1 Nov 16:00:41 GMT 2024 > Generating peptides on cn047 GNU bash, version 4.4.20(1)-release (x86_64-redhat-linux-gnu) Copyright (C) 2016 Free Software Foundation, Inc. License GPLv3+: GNU GPL version 3 or later This is free software; you are free to change and redistribute it. There is NO WARRANTY, to the extent permitted by law. Fri 1 Nov 16:00:41 GMT 2024 > Running /camp/apps/eb/software/Anaconda3/2023.03/bin/python : Python 3.10.10 Fri 1 Nov 16:00:41 GMT 2024 > Using Conda from . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Fri 1 Nov 16:00:41 GMT 2024 > Seed = 1; length = 10; max. number = 100000000; slice = 45000000 to 46000000; output dir. = 20241101_peptides_6-12x100M Fri 1 Nov 16:00:41 GMT 2024 > There are 10240000000000 peptides of length 10; generating 100000000 (0.000976563 %) Fri 1 Nov 16:00:41 GMT 2024 > Saving a slice to 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-45000000-46000000.csv.gz... + schemist enumerate --seed 1 --max-length 10 --prefix GY --suffix CGSGSGS --number 9.76563e-06 --slice 45000000 46000000 + schemist convert --column cysteine_to_N_cyclization --to id inchikey scaffold mwt clogp tpsa --prefix cyclic_ --options prefix=SCB- + tr ' ' , + schemist react --column SMILES --reaction cysteine_to_N_cyclization + schemist split --type random --train 0.7 --test 0.15 --column cysteine_to_N_cyclization --seed 1 + gzip --best + schemist convert --column SMILES --to id inchikey scaffold mwt clogp tpsa --prefix linear_ --options prefix=SCB- 🚀 Converting between string representations with the following parameters: subcommand: convert output: <_io.TextIOWrapper name='' mode='w' encoding='utf-8'> format: None input: <_io.TextIOWrapper name='' mode='r' encoding='utf-8'> representation: SMILES column: cysteine_to_N_cyclization prefix: cyclic_ to: ['id', 'inchikey', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] func: 🚀 Splitting table with the following parameters: subcommand: split output: <_io.TextIOWrapper name='' mode='w' encoding='utf-8'> format: None input: <_io.TextIOWrapper name='' mode='r' encoding='utf-8'> representation: SMILES column: cysteine_to_N_cyclization prefix: None type: random train: 0.7 test: 0.15 seed: 1 func: 🚀 Reacting peptides with the following parameters: subcommand: react output: <_io.TextIOWrapper name='' mode='w' encoding='utf-8'> format: None input: <_io.TextIOWrapper name='' mode='r' encoding='utf-8'> representation: SMILES column: SMILES name: None reaction: ['cysteine_to_N_cyclization'] func: 🚀 Enumerating peptides with the following parameters: subcommand: enumerate output: <_io.TextIOWrapper name='' mode='w' encoding='utf-8'> format: None to: SMILES options: None alphabet: GALVITSMCPFYWHKRDENQ max_length: 10 min_length: None number: 9.76563e-06 slice: ['45000000', '46000000'] seed: 1 prefix: GY suffix: CGSGSGS type: aa d_aa_only: False include_d_aa: False func: Sampling 100000051 (0.000976562998046875 %) peptides from length 10 to 10 (10240000000000 combinations). Probability of collision if drawing randomly is 1.0, with 976.9924758407456 (0.000976991977574837 %) collisions on average. > Executing naive sampling. 🚀 Converting between string representations with the following parameters: subcommand: convert output: <_io.TextIOWrapper name='' mode='w' encoding='utf-8'> format: None input: <_io.TextIOWrapper name='' mode='r' encoding='utf-8'> representation: SMILES column: SMILES prefix: linear_ to: ['id', 'inchikey', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] func: 0it [00:00, ?it/s] 1it [01:18, 78.53s/it] 2it [01:19, 32.88s/it] 3it [01:20, 18.29s/it] 4it [01:21, 11.44s/it] 5it [01:22, 7.66s/it] 6it [01:23, 5.37s/it] 7it [01:24, 3.92s/it] 8it [01:25, 2.96s/it] 9it [01:25, 2.32s/it] 10it [01:26, 1.89s/it] 11it [01:27, 1.59s/it] 12it [01:28, 1.39s/it] 13it [01:29, 1.26s/it] 14it [01:30, 1.16s/it] 15it [01:31, 1.09s/it] 16it [01:32, 1.04s/it] 17it [01:33, 1.00s/it] 18it [01:34, 1.02it/s] 19it [01:35, 1.04it/s] 20it [01:36, 1.05it/s] 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[15:37, 1.10it/s] 938it [15:38, 1.11it/s] 939it [15:39, 1.11it/s] 940it [15:40, 1.11it/s] 941it [15:41, 1.11it/s] 942it [15:42, 1.11it/s] 943it [15:43, 1.11it/s] 944it [15:44, 1.10it/s] 945it [15:44, 1.10it/s] 946it [15:45, 1.10it/s] 947it [15:46, 1.10it/s] 948it [15:47, 1.10it/s] 949it [15:48, 1.10it/s] 950it [15:49, 1.10it/s] 951it [15:50, 1.10it/s] 952it [15:51, 1.10it/s] 953it [15:52, 1.10it/s] 954it [15:53, 1.10it/s] 955it [15:54, 1.10it/s] 956it [15:54, 1.11it/s] 957it [15:55, 1.10it/s] 958it [15:56, 1.10it/s] 959it [15:57, 1.09it/s] 960it [15:58, 1.09it/s] 961it [15:59, 1.10it/s] 962it [16:00, 1.10it/s] 963it [16:01, 1.10it/s] 964it [16:02, 1.10it/s] 965it [16:03, 1.10it/s] 966it [16:04, 1.10it/s] 967it [16:04, 1.10it/s] 968it [16:05, 1.10it/s] 969it [16:06, 1.09it/s] 970it [16:07, 1.10it/s] 971it [16:08, 1.10it/s] 972it [16:09, 1.10it/s] 973it [16:10, 1.09it/s] 974it [16:11, 1.10it/s] 975it [16:12, 1.10it/s] 976it [16:13, 1.10it/s] 977it [16:14, 1.09it/s] 978it [16:15, 1.10it/s] 979it [16:15, 1.10it/s] 980it [16:16, 1.09it/s] 981it [16:17, 1.09it/s] 982it [16:18, 1.10it/s] 983it [16:19, 1.09it/s] 984it [16:20, 1.09it/s] 985it [16:21, 1.09it/s] 986it [16:22, 1.09it/s] 987it [16:23, 1.09it/s] 988it [16:24, 1.10it/s] 989it [16:25, 1.09it/s] 990it [16:26, 1.09it/s] 991it [16:26, 1.09it/s] 992it [16:27, 1.09it/s] 993it [16:28, 1.08it/s] 994it [16:29, 1.09it/s] 995it [16:30, 1.09it/s] 996it [16:31, 1.09it/s] 997it [16:32, 1.09it/s] 998it [16:33, 1.10it/s] 999it [16:34, 1.10it/s] 1000it [16:35, 1.09it/s] 1000it [16:35, 1.00it/s] Enumerated peptides: Number of peptides: 1000000 Conversion errors: SMILES: 0 ⏰ Completed process in 0:16:35.186135 0it [00:00, ?it/s] 1it [00:10, 10.22s/it] 2it [00:20, 10.18s/it] 3it [00:30, 10.20s/it] 4it [00:40, 10.21s/it] 5it [00:51, 10.24s/it] 6it [01:01, 10.21s/it] 7it [01:11, 10.21s/it] 8it [01:21, 10.19s/it] 9it [01:31, 10.18s/it] 10it [01:41, 10.19s/it] 11it [01:52, 10.20s/it] 12it [02:02, 10.18s/it] 13it [02:12, 10.19s/it] 14it [02:22, 10.20s/it] 15it [02:33, 10.21s/it] 16it [02:43, 10.21s/it] 17it [02:53, 10.20s/it] 18it [03:03, 10.20s/it] 19it [03:13, 10.21s/it] 20it [03:24, 10.21s/it] 21it [03:34, 10.20s/it] 22it [03:44, 10.17s/it] 23it [03:54, 10.16s/it] 24it [04:04, 10.16s/it] 25it [04:14, 10.14s/it] 26it [04:24, 10.16s/it] 27it [04:35, 10.17s/it] 28it [04:45, 10.16s/it] 29it [04:55, 10.17s/it] 30it [05:05, 10.17s/it] 31it [05:15, 10.17s/it] 32it [05:25, 10.17s/it] 33it [05:36, 10.16s/it] 34it [05:46, 10.16s/it] 35it [05:56, 10.15s/it] 36it [06:06, 10.16s/it] 37it [06:16, 10.17s/it] 38it [06:26, 10.16s/it] 39it [06:37, 10.18s/it] 40it [06:47, 10.18s/it] 41it [06:57, 10.18s/it] 42it [07:07, 10.18s/it] 43it [07:17, 10.17s/it] 44it [07:28, 10.18s/it] 45it [07:38, 10.18s/it] 46it [07:48, 10.17s/it] 47it [07:58, 10.19s/it] 48it [08:08, 10.18s/it] 49it [08:18, 10.17s/it] 50it [08:29, 10.17s/it] 51it [08:39, 10.18s/it] 52it [08:49, 10.18s/it] 53it [08:59, 10.17s/it] 54it [09:09, 10.17s/it] 55it [09:19, 10.18s/it] 56it [09:30, 10.19s/it] 57it [09:40, 10.19s/it] 58it [09:50, 10.18s/it] 59it [10:00, 10.18s/it] 60it [10:10, 10.18s/it] 61it [10:20, 10.16s/it] 62it [10:31, 10.16s/it] 63it [10:41, 10.17s/it] 64it [10:51, 10.16s/it] 65it [11:01, 10.17s/it] 66it [11:11, 10.16s/it] 67it [11:21, 10.16s/it] 68it [11:32, 10.18s/it] 69it [11:42, 10.17s/it] 70it [11:52, 10.18s/it] 71it [12:02, 10.17s/it] 72it [12:12, 10.17s/it] 73it [12:23, 10.17s/it] 74it [12:33, 10.17s/it] 75it [12:43, 10.16s/it] 76it [12:53, 10.16s/it] 77it [13:03, 10.18s/it] 78it [13:13, 10.16s/it] 79it [13:24, 10.16s/it] 80it [13:34, 10.19s/it] 81it [13:44, 10.17s/it] 82it [13:54, 10.18s/it] 83it [14:04, 10.18s/it] 84it [14:14, 10.17s/it] 85it [14:25, 10.17s/it] 86it [14:35, 10.17s/it] 87it [14:45, 10.16s/it] 88it [14:55, 10.15s/it] 89it [15:05, 10.15s/it] 90it [15:15, 10.17s/it] 91it [15:26, 10.16s/it] 92it [15:36, 10.18s/it] 93it [15:46, 10.19s/it] 94it [15:56, 10.20s/it] 95it [16:06, 10.22s/it] 96it [16:17, 10.23s/it] 97it [16:27, 10.20s/it] 98it [16:37, 10.22s/it] 99it [16:47, 10.21s/it] 100it [16:57, 10.21s/it] 101it [17:08, 10.22s/it] 102it [17:18, 10.21s/it] 103it [17:28, 10.20s/it] 104it [17:38, 10.19s/it] 105it [17:49, 10.21s/it] 106it [17:59, 10.21s/it] 107it [18:09, 10.21s/it] 108it [18:19, 10.21s/it] 109it [18:29, 10.21s/it] 110it [18:40, 10.21s/it] 111it [18:50, 10.20s/it] 112it [19:00, 10.19s/it] 113it [19:10, 10.18s/it] 114it [19:20, 10.17s/it] 115it [19:30, 10.19s/it] 116it [19:41, 10.17s/it] 117it [19:51, 10.17s/it] 118it [20:01, 10.19s/it] 119it [20:11, 10.17s/it] 120it [20:21, 10.16s/it] 121it [20:32, 10.19s/it] 122it [20:42, 10.17s/it] 123it [20:52, 10.17s/it] 124it [21:02, 10.19s/it] 125it [21:12, 10.17s/it] 126it [21:22, 10.17s/it] 127it [21:33, 10.17s/it] 128it [21:43, 10.18s/it] 129it [21:53, 10.19s/it] 130it [22:03, 10.18s/it] 131it [22:13, 10.20s/it] 132it [22:24, 10.20s/it] 133it [22:34, 10.19s/it] 134it [22:44, 10.19s/it] 135it [22:54, 10.20s/it] 136it [23:04, 10.18s/it] 137it [23:15, 10.19s/it] 138it [23:25, 10.20s/it] 139it [23:35, 10.19s/it] 140it [23:45, 10.20s/it] 141it [23:55, 10.22s/it] 142it [24:06, 10.22s/it] 143it [24:16, 10.22s/it] 144it [24:26, 10.24s/it] 145it [24:36, 10.22s/it] 146it [24:46, 10.20s/it] 147it [24:57, 10.21s/it] 148it [25:07, 10.21s/it] 149it [25:17, 10.19s/it] 150it [25:27, 10.19s/it] 151it [25:37, 10.19s/it] 152it [25:48, 10.18s/it] 153it [25:58, 10.17s/it] 154it [26:08, 10.18s/it] 155it [26:18, 10.18s/it] 156it [26:28, 10.18s/it] 157it [26:38, 10.18s/it] 158it [26:49, 10.16s/it] 159it [26:59, 10.15s/it] 160it [27:09, 10.16s/it] 161it [27:19, 10.18s/it] 162it [27:29, 10.17s/it] 163it [27:39, 10.18s/it] 164it [27:50, 10.20s/it] 165it [28:00, 10.18s/it] 166it [28:10, 10.21s/it] 167it [28:20, 10.21s/it] 168it [28:31, 10.21s/it] 169it [28:41, 10.21s/it] 170it [28:51, 10.20s/it] 171it [29:01, 10.20s/it] 172it [29:11, 10.20s/it] 173it [29:22, 10.27s/it] 174it [29:32, 10.27s/it] 175it [29:42, 10.26s/it] 176it [29:52, 10.24s/it] 177it [30:03, 10.23s/it] 178it [30:13, 10.22s/it] 179it [30:23, 10.22s/it] 180it [30:33, 10.21s/it] 181it [30:44, 10.22s/it] 182it [30:54, 10.20s/it] 183it [31:04, 10.21s/it] 184it [31:14, 10.22s/it] 185it [31:24, 10.22s/it] 186it [31:35, 10.22s/it] 187it [31:45, 10.19s/it] 188it [31:55, 10.18s/it] 189it [32:05, 10.19s/it] 190it [32:15, 10.19s/it] 191it [32:26, 10.21s/it] 192it [32:36, 10.21s/it] 193it [32:46, 10.21s/it] 194it [32:56, 10.21s/it] 195it [33:06, 10.23s/it] 196it [33:17, 10.23s/it] 197it [33:27, 10.25s/it] 198it [33:37, 10.24s/it] 199it [33:47, 10.23s/it] 200it [33:58, 10.23s/it] 201it [34:08, 10.22s/it] 202it [34:18, 10.20s/it] 203it [34:28, 10.21s/it] 204it [34:38, 10.21s/it] 205it [34:49, 10.21s/it] 206it [34:59, 10.21s/it] 207it [35:09, 10.20s/it] 208it [35:19, 10.19s/it] 209it [35:29, 10.18s/it] 210it [35:39, 10.16s/it] 211it [35:50, 10.18s/it] 212it [36:00, 10.20s/it] 213it [36:10, 10.20s/it] 214it [36:20, 10.20s/it] 215it [36:30, 10.20s/it] 216it [36:41, 10.16s/it] 217it [36:51, 10.17s/it] 218it [37:01, 10.20s/it] 219it [37:11, 10.20s/it] 220it [37:21, 10.20s/it] 221it [37:32, 10.20s/it] 222it [37:42, 10.19s/it] 223it [37:52, 10.18s/it] 224it [38:02, 10.20s/it] 225it [38:12, 10.21s/it] 226it [38:23, 10.20s/it] 227it [38:33, 10.20s/it] 228it [38:43, 10.26s/it] 229it [38:54, 10.33s/it] 230it [39:04, 10.33s/it] 231it [39:14, 10.37s/it] 232it [39:25, 10.44s/it] 233it [39:36, 10.44s/it] 234it [39:46, 10.38s/it] 235it [39:56, 10.34s/it] 236it [40:06, 10.30s/it] 237it [40:16, 10.29s/it] 238it [40:27, 10.27s/it] 239it [40:37, 10.24s/it] 240it [40:47, 10.24s/it] 241it [40:58, 10.29s/it] 242it [41:08, 10.41s/it] 243it [41:19, 10.50s/it] 244it [41:30, 10.77s/it] 245it [41:42, 10.91s/it] 246it [41:52, 10.92s/it] 247it [42:04, 11.17s/it] 248it [42:16, 11.30s/it] 249it [42:27, 11.34s/it] 250it [42:39, 11.41s/it] 251it [42:50, 11.41s/it] 252it [43:02, 11.45s/it] 253it [43:13, 11.47s/it] 254it [43:25, 11.49s/it] 255it [43:36, 11.48s/it] 256it [43:48, 11.46s/it] 257it [43:59, 11.46s/it] 258it [44:11, 11.47s/it] 259it [44:22, 11.47s/it] 260it [44:34, 11.44s/it] 261it [44:45, 11.43s/it] 262it [44:56, 11.41s/it] 263it [45:08, 11.37s/it] 264it [45:19, 11.36s/it] 265it [45:30, 11.40s/it] 266it [45:42, 11.41s/it] 267it [45:53, 11.44s/it] 268it [46:05, 11.47s/it] 269it [46:16, 11.49s/it] 270it [46:28, 11.49s/it] 271it [46:39, 11.48s/it] 272it [46:51, 11.46s/it] 273it [47:02, 11.50s/it] 274it [47:14, 11.49s/it] 275it [47:25, 11.50s/it] 276it [47:37, 11.50s/it] 277it [47:48, 11.49s/it] 278it [48:00, 11.48s/it] 279it [48:11, 11.49s/it] 280it [48:23, 11.50s/it] 281it [48:34, 11.48s/it] 282it [48:46, 11.48s/it] 283it [48:57, 11.48s/it] 284it [49:09, 11.48s/it] 285it [49:20, 11.48s/it] 286it [49:32, 11.49s/it] 287it [49:43, 11.49s/it] 288it [49:55, 11.47s/it] 289it [50:06, 11.47s/it] 290it [50:17, 11.42s/it] 291it [50:29, 11.43s/it] 292it [50:40, 11.43s/it] 293it [50:52, 11.46s/it] 294it [51:03, 11.47s/it] 295it [51:15, 11.47s/it] 296it [51:26, 11.48s/it] 297it [51:38, 11.49s/it] 298it [51:49, 11.50s/it] 299it [52:01, 11.50s/it] 300it [52:12, 11.50s/it] 301it [52:24, 11.50s/it] 302it [52:35, 11.55s/it] 303it [52:47, 11.55s/it] 304it [52:59, 11.56s/it] 305it [53:10, 11.52s/it] 306it [53:21, 11.48s/it] 307it [53:33, 11.51s/it] 308it [53:45, 11.53s/it] 309it [53:56, 11.51s/it] 310it [54:07, 11.49s/it] 311it [54:19, 11.45s/it] 312it [54:30, 11.43s/it] 313it [54:42, 11.44s/it] 314it [54:53, 11.47s/it] 315it [55:05, 11.49s/it] 316it [55:16, 11.52s/it] 317it [55:28, 11.50s/it] 318it [55:39, 11.50s/it] 319it [55:51, 11.49s/it] 320it [56:02, 11.49s/it] 321it [56:14, 11.49s/it] 322it [56:25, 11.48s/it] 323it [56:37, 11.47s/it] 324it [56:48, 11.46s/it] 325it [57:00, 11.46s/it] 326it [57:11, 11.44s/it] 327it [57:22, 11.47s/it] 328it [57:34, 11.44s/it] 329it [57:45, 11.43s/it] 330it [57:57, 11.43s/it] 331it [58:08, 11.41s/it] 332it [58:19, 11.41s/it] 333it [58:31, 11.39s/it] 334it [58:42, 11.37s/it] 335it [58:54, 11.39s/it] 336it [59:05, 11.43s/it] 337it [59:17, 11.44s/it] 338it [59:28, 11.44s/it] 339it [59:39, 11.45s/it] 340it [59:51, 11.45s/it] 341it [1:00:02, 11.46s/it] 342it [1:00:14, 11.46s/it] 343it [1:00:25, 11.48s/it] 344it [1:00:37, 11.48s/it] 345it [1:00:48, 11.48s/it] 346it [1:01:00, 11.47s/it] 347it [1:01:11, 11.43s/it] 348it [1:01:23, 11.44s/it] 349it [1:01:34, 11.41s/it] 350it [1:01:45, 11.38s/it] 351it [1:01:57, 11.37s/it] 352it [1:02:08, 11.38s/it] 353it [1:02:19, 11.39s/it] 354it [1:02:31, 11.40s/it] 355it [1:02:42, 11.42s/it] 356it [1:02:54, 11.42s/it] 357it [1:03:05, 11.43s/it] 358it [1:03:17, 11.44s/it] 359it [1:03:28, 11.48s/it] 360it [1:03:40, 11.47s/it] 361it [1:03:51, 11.47s/it] 362it [1:04:03, 11.45s/it] 363it [1:04:14, 11.42s/it] 364it [1:04:25, 11.39s/it] 365it [1:04:37, 11.41s/it] 366it [1:04:48, 11.40s/it] 367it [1:04:59, 11.35s/it] 368it [1:05:11, 11.37s/it] 369it [1:05:22, 11.38s/it] 370it [1:05:33, 11.38s/it] 371it [1:05:45, 11.40s/it] 372it [1:05:56, 11.35s/it] 373it [1:06:07, 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10.99s/it] 818it [2:28:31, 10.99s/it] 819it [2:28:42, 11.02s/it] 820it [2:28:53, 11.10s/it] 821it [2:29:04, 11.05s/it] 822it [2:29:15, 11.02s/it] 823it [2:29:26, 11.02s/it] 824it [2:29:37, 11.00s/it] 825it [2:29:48, 10.97s/it] 826it [2:29:59, 10.96s/it] 827it [2:30:10, 10.97s/it] 828it [2:30:21, 10.93s/it] 829it [2:30:32, 10.92s/it] 830it [2:30:43, 10.92s/it] 831it [2:30:53, 10.91s/it] 832it [2:31:04, 10.92s/it] 833it [2:31:15, 10.93s/it] 834it [2:31:26, 10.92s/it] 835it [2:31:37, 10.89s/it] 836it [2:31:48, 10.91s/it] 837it [2:31:59, 10.90s/it] 838it [2:32:10, 10.93s/it] 839it [2:32:21, 10.99s/it] 840it [2:32:32, 10.94s/it] 841it [2:32:43, 10.90s/it] 842it [2:32:53, 10.87s/it] 843it [2:33:04, 10.81s/it] 844it [2:33:15, 10.83s/it] 845it [2:33:26, 10.89s/it] 846it [2:33:37, 10.93s/it] 847it [2:33:48, 10.91s/it] 848it [2:33:59, 10.87s/it] 849it [2:34:10, 10.90s/it] 850it [2:34:21, 10.94s/it] 851it [2:34:31, 10.90s/it] 852it [2:34:42, 10.90s/it] 853it [2:34:53, 10.91s/it] 854it [2:35:04, 10.87s/it] 855it [2:35:15, 10.85s/it] 856it [2:35:26, 10.93s/it] 857it [2:35:37, 10.91s/it] 858it [2:35:48, 10.90s/it] 859it [2:35:58, 10.85s/it] 860it [2:36:09, 10.83s/it] 861it [2:36:20, 10.82s/it] 862it [2:36:31, 10.81s/it] 863it [2:36:42, 10.81s/it] 864it [2:36:52, 10.80s/it] 865it [2:37:03, 10.79s/it] 866it [2:37:14, 10.78s/it] 867it [2:37:25, 10.79s/it] 868it [2:37:36, 10.81s/it] 869it [2:37:46, 10.79s/it] 870it [2:37:57, 10.84s/it] 871it [2:38:08, 10.81s/it] 872it [2:38:19, 10.81s/it] 873it [2:38:30, 10.87s/it] 874it [2:38:41, 10.85s/it] 875it [2:38:51, 10.83s/it] 876it [2:39:02, 10.81s/it] 877it [2:39:13, 10.81s/it] 878it [2:39:24, 10.82s/it] 879it [2:39:35, 10.83s/it] 880it [2:39:46, 10.86s/it] 881it [2:39:56, 10.83s/it] 882it [2:40:07, 10.85s/it] 883it [2:40:18, 10.84s/it] 884it [2:40:29, 10.82s/it] 885it [2:40:40, 10.81s/it] 886it [2:40:50, 10.79s/it] 887it [2:41:01, 10.82s/it] 888it [2:41:12, 10.82s/it] 889it [2:41:23, 10.83s/it] 890it [2:41:34, 10.81s/it] 891it [2:41:44, 10.78s/it] 892it [2:41:55, 10.78s/it] 893it [2:42:06, 10.80s/it] 894it [2:42:17, 10.89s/it] 895it [2:42:28, 10.90s/it] 896it [2:42:39, 10.90s/it] 897it [2:42:50, 10.87s/it] 898it [2:43:01, 10.85s/it] 899it [2:43:11, 10.85s/it] 900it [2:43:22, 10.89s/it] 901it [2:43:33, 10.89s/it] 902it [2:43:44, 10.93s/it] 903it [2:43:55, 10.93s/it] 904it [2:44:06, 10.97s/it] 905it [2:44:17, 10.88s/it] 906it [2:44:28, 10.89s/it] 907it [2:44:39, 10.87s/it] 908it [2:44:50, 10.86s/it] 909it [2:45:00, 10.82s/it] 910it [2:45:11, 10.79s/it] 911it [2:45:22, 10.78s/it] 912it [2:45:33, 10.78s/it] 913it [2:45:43, 10.79s/it] 914it [2:45:54, 10.79s/it] 915it [2:46:05, 10.79s/it] 916it [2:46:16, 10.81s/it] 917it [2:46:27, 10.82s/it] 918it [2:46:37, 10.81s/it] 919it [2:46:48, 10.83s/it] 920it [2:46:59, 10.81s/it] 921it [2:47:10, 10.82s/it] 922it [2:47:21, 10.84s/it] 923it [2:47:32, 10.84s/it] 924it [2:47:43, 10.85s/it] 925it [2:47:53, 10.84s/it] 926it [2:48:04, 10.82s/it] 927it [2:48:15, 10.79s/it] 928it [2:48:26, 10.81s/it] 929it [2:48:37, 10.84s/it] 930it [2:48:48, 10.86s/it] 931it [2:48:58, 10.84s/it] 932it [2:49:09, 10.79s/it] 933it [2:49:20, 10.71s/it] 934it [2:49:30, 10.67s/it] 935it [2:49:41, 10.65s/it] 936it [2:49:51, 10.62s/it] 937it [2:50:02, 10.60s/it] 938it [2:50:12, 10.58s/it] 939it [2:50:23, 10.57s/it] 940it [2:50:33, 10.57s/it] 941it [2:50:44, 10.56s/it] 942it [2:50:55, 10.60s/it] 943it [2:51:05, 10.64s/it] 944it [2:51:16, 10.66s/it] 945it [2:51:27, 10.73s/it] 946it [2:51:38, 10.74s/it] 947it [2:51:48, 10.72s/it] 948it [2:51:59, 10.71s/it] 949it [2:52:10, 10.71s/it] 950it [2:52:21, 10.72s/it] 951it [2:52:31, 10.72s/it] 952it [2:52:42, 10.73s/it] 953it [2:52:53, 10.72s/it] 954it [2:53:03, 10.72s/it] 955it [2:53:14, 10.71s/it] 956it [2:53:25, 10.69s/it] 957it [2:53:36, 10.77s/it] 958it [2:53:47, 10.82s/it] 959it [2:53:58, 10.84s/it] 960it [2:54:08, 10.82s/it] 961it [2:54:19, 10.81s/it] 962it [2:54:30, 10.78s/it] 963it [2:54:41, 10.78s/it] 964it [2:54:51, 10.75s/it] 965it [2:55:02, 10.73s/it] 966it [2:55:13, 10.73s/it] 967it [2:55:23, 10.73s/it] 968it [2:55:34, 10.73s/it] 969it [2:55:45, 10.75s/it] 970it [2:55:56, 10.75s/it] 971it [2:56:06, 10.75s/it] 972it [2:56:17, 10.73s/it] 973it [2:56:28, 10.73s/it] 974it [2:56:39, 10.76s/it] 975it [2:56:49, 10.76s/it] 976it [2:57:00, 10.76s/it] 977it [2:57:11, 10.78s/it] 978it [2:57:22, 10.78s/it] 979it [2:57:33, 10.77s/it] 980it [2:57:43, 10.75s/it] 981it [2:57:54, 10.74s/it] 982it [2:58:05, 10.75s/it] 983it [2:58:15, 10.74s/it] 984it [2:58:26, 10.75s/it] 985it [2:58:37, 10.72s/it] 986it [2:58:48, 10.79s/it] 987it [2:58:59, 10.82s/it] 988it [2:59:10, 10.91s/it] 989it [2:59:21, 10.90s/it] 990it [2:59:32, 10.93s/it] 991it [2:59:43, 10.92s/it] 992it [2:59:54, 10.95s/it] 993it [3:00:05, 10.95s/it] 994it [3:00:16, 10.95s/it] 995it [3:00:27, 10.95s/it] 996it [3:00:37, 10.95s/it] 997it [3:00:49, 10.99s/it] 998it [3:01:00, 11.00s/it] 999it [3:01:11, 11.03s/it] 1000it [3:01:22, 11.07s/it] 1000it [3:01:22, 10.88s/it] Error counts: linear_id: 0 linear_inchikey: 0 linear_scaffold: 0 linear_mwt: 0 linear_clogp: 0 linear_tpsa: 0 ⏰ Completed process in 3:17:58.054945 0it [00:00, ?it/s] 1it [00:08, 8.95s/it] 2it [00:17, 8.91s/it] 3it [00:26, 8.90s/it] 4it [00:35, 8.92s/it] 5it [00:44, 8.94s/it] 6it [00:53, 8.94s/it] 7it [01:02, 8.94s/it] 8it [01:11, 8.90s/it] 9it [01:20, 8.88s/it] 10it [01:29, 8.90s/it] 11it [01:37, 8.89s/it] 12it [01:46, 8.88s/it] 13it [01:55, 8.87s/it] 14it [02:04, 8.88s/it] 15it [02:13, 8.86s/it] 16it [02:22, 8.87s/it] 17it [02:30, 8.82s/it] 18it [02:39, 8.83s/it] 19it [02:48, 8.84s/it] 20it [02:57, 8.85s/it] 21it [03:06, 8.82s/it] 22it [03:15, 8.81s/it] 23it [03:23, 8.78s/it] 24it [03:32, 8.80s/it] 25it [03:41, 8.79s/it] 26it [03:50, 8.81s/it] 27it [03:59, 8.83s/it] 28it [04:07, 8.82s/it] 29it [04:16, 8.82s/it] 30it [04:25, 8.83s/it] 31it [04:34, 8.84s/it] 32it [04:43, 8.84s/it] 33it [04:52, 8.84s/it] 34it [05:01, 8.83s/it] 35it [05:09, 8.84s/it] 36it [05:18, 8.85s/it] 37it [05:27, 8.83s/it] 38it [05:36, 8.83s/it] 39it [05:45, 8.84s/it] 40it [05:54, 8.87s/it] 41it [06:03, 8.88s/it] 42it [06:11, 8.88s/it] 43it [06:20, 8.86s/it] 44it [06:29, 8.87s/it] 45it [06:38, 8.87s/it] 46it [06:47, 8.87s/it] 47it [06:56, 8.90s/it] 48it [07:05, 8.90s/it] 49it [07:14, 8.90s/it] 50it [07:23, 8.90s/it] 51it [07:31, 8.85s/it] 52it [07:40, 8.87s/it] 53it [07:49, 8.88s/it] 54it [07:58, 8.90s/it] 55it [08:07, 8.90s/it] 56it [08:16, 8.90s/it] 57it [08:25, 8.91s/it] 58it [08:34, 8.89s/it] 59it [08:42, 8.86s/it] 60it [08:51, 8.84s/it] 61it [09:00, 8.85s/it] 62it [09:09, 8.84s/it] 63it [09:18, 8.83s/it] 64it [09:27, 8.83s/it] 65it [09:36, 8.88s/it] 66it [09:44, 8.90s/it] 67it [09:53, 8.85s/it] 68it [10:02, 8.87s/it] 69it [10:11, 8.88s/it] 70it [10:20, 8.87s/it] 71it [10:29, 8.84s/it] 72it [10:38, 8.85s/it] 73it [10:46, 8.85s/it] 74it [10:55, 8.84s/it] 75it [11:04, 8.84s/it] 76it [11:13, 8.85s/it] 77it [11:22, 8.85s/it] 78it [11:31, 8.83s/it] 79it [11:39, 8.83s/it] 80it [11:48, 8.83s/it] 81it [11:57, 8.82s/it] 82it [12:06, 8.83s/it] 83it [12:15, 8.83s/it] 84it [12:23, 8.79s/it] 85it [12:32, 8.79s/it] 86it [12:41, 8.79s/it] 87it [12:50, 8.82s/it] 88it [12:59, 8.79s/it] 89it [13:07, 8.80s/it] 90it [13:16, 8.81s/it] 91it [13:25, 8.82s/it] 92it [13:34, 8.85s/it] 93it [13:43, 8.83s/it] 94it [13:52, 8.84s/it] 95it [14:00, 8.83s/it] 96it [14:09, 8.83s/it] 97it [14:18, 8.82s/it] 98it [14:27, 8.85s/it] 99it [14:36, 8.88s/it] 100it [14:45, 8.86s/it] 101it [14:54, 8.87s/it] 102it [15:03, 8.86s/it] 103it [15:11, 8.86s/it] 104it [15:20, 8.82s/it] 105it [15:29, 8.85s/it] 106it [15:38, 8.87s/it] 107it [15:47, 8.86s/it] 108it [15:56, 8.86s/it] 109it [16:05, 8.87s/it] 110it [16:13, 8.88s/it] 111it [16:22, 8.85s/it] 112it [16:31, 8.85s/it] 113it [16:40, 8.83s/it] 114it [16:49, 8.84s/it] 115it [16:57, 8.82s/it] 116it [17:06, 8.81s/it] 117it [17:15, 8.82s/it] 118it [17:24, 8.84s/it] 119it [17:33, 8.86s/it] 120it [17:42, 8.86s/it] 121it [17:51, 8.88s/it] 122it [18:00, 8.87s/it] 123it [18:08, 8.84s/it] 124it [18:17, 8.85s/it] 125it [18:26, 8.86s/it] 126it [18:35, 8.88s/it] 127it [18:44, 8.89s/it] 128it [18:53, 8.90s/it] 129it [19:02, 8.89s/it] 130it [19:11, 8.90s/it] 131it [19:20, 8.90s/it] 132it [19:28, 8.91s/it] 133it [19:37, 8.91s/it] 134it [19:46, 8.92s/it] 135it [19:55, 8.91s/it] 136it [20:04, 8.93s/it] 137it [20:13, 8.95s/it] 138it [20:22, 8.94s/it] 139it [20:31, 8.92s/it] 140it [20:40, 8.93s/it] 141it [20:49, 8.93s/it] 142it [20:58, 8.92s/it] 143it [21:07, 8.91s/it] 144it [21:16, 8.91s/it] 145it [21:24, 8.89s/it] 146it [21:33, 8.89s/it] 147it [21:42, 8.93s/it] 148it [21:51, 8.91s/it] 149it [22:00, 8.90s/it] 150it [22:09, 8.91s/it] 151it [22:18, 8.91s/it] 152it [22:27, 8.92s/it] 153it [22:36, 8.90s/it] 154it [22:45, 8.92s/it] 155it [22:54, 8.93s/it] 156it [23:03, 8.92s/it] 157it [23:11, 8.92s/it] 158it [23:20, 8.91s/it] 159it [23:29, 8.90s/it] 160it [23:38, 8.95s/it] 161it [23:47, 8.95s/it] 162it [23:56, 8.93s/it] 163it [24:05, 8.91s/it] 164it [24:14, 8.92s/it] 165it [24:23, 8.91s/it] 166it [24:32, 8.92s/it] 167it [24:41, 8.91s/it] 168it [24:49, 8.89s/it] 169it [24:58, 8.88s/it] 170it [25:07, 8.89s/it] 171it [25:16, 8.90s/it] 172it [25:25, 8.90s/it] 173it [25:34, 8.90s/it] 174it [25:43, 8.90s/it] 175it [25:52, 8.91s/it] 176it [26:01, 8.91s/it] 177it [26:10, 8.94s/it] 178it [26:19, 8.92s/it] 179it [26:28, 8.93s/it] 180it [26:36, 8.93s/it] 181it [26:45, 8.93s/it] 182it [26:54, 8.91s/it] 183it [27:03, 8.92s/it] 184it [27:12, 8.92s/it] 185it [27:21, 8.92s/it] 186it [27:30, 8.90s/it] 187it [27:39, 8.90s/it] 188it [27:48, 8.90s/it] 189it [27:57, 8.91s/it] 190it [28:06, 8.94s/it] 191it [28:15, 8.95s/it] 192it [28:24, 8.95s/it] 193it [28:32, 8.94s/it] 194it [28:41, 8.93s/it] 195it [28:50, 8.92s/it] 196it [28:59, 8.91s/it] 197it [29:08, 8.92s/it] 198it [29:17, 8.92s/it] 199it [29:26, 8.90s/it] 200it [29:35, 8.87s/it] 201it [29:44, 8.89s/it] 202it [29:52, 8.87s/it] 203it [30:01, 8.89s/it] 204it [30:10, 8.90s/it] 205it [30:19, 8.90s/it] 206it [30:28, 8.87s/it] 207it [30:37, 8.89s/it] 208it [30:46, 8.88s/it] 209it [30:55, 8.89s/it] 210it [31:04, 8.87s/it] 211it [31:12, 8.87s/it] 212it [31:21, 8.88s/it] 213it [31:30, 8.88s/it] 214it [31:39, 8.89s/it] 215it [31:48, 8.88s/it] 216it [31:57, 8.86s/it] 217it [32:06, 8.85s/it] 218it [32:15, 8.88s/it] 219it [32:23, 8.86s/it] 220it [32:32, 8.86s/it] 221it [32:41, 8.86s/it] 222it [32:50, 8.87s/it] 223it [32:59, 8.87s/it] 224it [33:08, 8.86s/it] 225it [33:17, 8.87s/it] 226it [33:25, 8.87s/it] 227it [33:34, 8.85s/it] 228it [33:43, 8.87s/it] 229it [33:52, 8.88s/it] 230it [34:01, 8.87s/it] 231it [34:10, 8.87s/it] 232it [34:19, 8.89s/it] 233it [34:28, 8.90s/it] 234it [34:37, 8.90s/it] 235it [34:45, 8.90s/it] 236it [34:54, 8.91s/it] 237it [35:03, 8.91s/it] 238it [35:12, 8.90s/it] 239it [35:21, 8.93s/it] 240it [35:30, 8.94s/it] 241it [35:39, 8.93s/it] 242it [35:48, 8.94s/it] 243it [35:57, 8.94s/it] 244it [36:06, 8.96s/it] 245it [36:15, 8.92s/it] 246it [36:24, 8.93s/it] 247it [36:33, 8.95s/it] 248it [36:42, 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8.52s/it] 683it [1:39:16, 8.50s/it] 684it [1:39:25, 8.49s/it] 685it [1:39:33, 8.48s/it] 686it [1:39:42, 8.47s/it] 687it [1:39:50, 8.48s/it] 688it [1:39:59, 8.49s/it] 689it [1:40:07, 8.50s/it] 690it [1:40:16, 8.48s/it] 691it [1:40:24, 8.49s/it] 692it [1:40:33, 8.49s/it] 693it [1:40:41, 8.48s/it] 694it [1:40:50, 8.49s/it] 695it [1:40:58, 8.47s/it] 696it [1:41:07, 8.46s/it] 697it [1:41:15, 8.48s/it] 698it [1:41:24, 8.46s/it] 699it [1:41:32, 8.47s/it] 700it [1:41:40, 8.46s/it] 701it [1:41:49, 8.47s/it] 702it [1:41:57, 8.46s/it] 703it [1:42:06, 8.45s/it] 704it [1:42:14, 8.44s/it] 705it [1:42:23, 8.45s/it] 706it [1:42:31, 8.46s/it] 707it [1:42:40, 8.45s/it] 708it [1:42:48, 8.46s/it] 709it [1:42:57, 8.45s/it] 710it [1:43:05, 8.46s/it] 711it [1:43:13, 8.46s/it] 712it [1:43:22, 8.46s/it] 713it [1:43:30, 8.47s/it] 714it [1:43:39, 8.48s/it] 715it [1:43:47, 8.49s/it] 716it [1:43:56, 8.49s/it] 717it [1:44:04, 8.50s/it] 718it [1:44:13, 8.50s/it] 719it [1:44:21, 8.49s/it] 720it [1:44:30, 8.49s/it] 721it [1:44:38, 8.49s/it] 722it [1:44:47, 8.50s/it] 723it [1:44:55, 8.51s/it] 724it [1:45:04, 8.50s/it] 725it [1:45:12, 8.48s/it] 726it [1:45:21, 8.47s/it] 727it [1:45:29, 8.48s/it] 728it [1:45:38, 8.46s/it] 729it [1:45:46, 8.48s/it] 730it [1:45:55, 8.50s/it] 731it [1:46:03, 8.50s/it] 732it [1:46:12, 8.51s/it] 733it [1:46:21, 8.56s/it] 734it [1:46:29, 8.55s/it] 735it [1:46:38, 8.55s/it] 736it [1:46:46, 8.56s/it] 737it [1:46:55, 8.58s/it] 738it [1:47:03, 8.58s/it] 739it [1:47:12, 8.57s/it] 740it [1:47:21, 8.60s/it] 741it [1:47:29, 8.60s/it] 742it [1:47:38, 8.61s/it] 743it [1:47:46, 8.62s/it] 744it [1:47:55, 8.60s/it] 745it [1:48:04, 8.58s/it] 746it [1:48:12, 8.59s/it] 747it [1:48:21, 8.57s/it] 748it [1:48:29, 8.53s/it] 749it [1:48:38, 8.54s/it] 750it [1:48:46, 8.50s/it] 751it [1:48:55, 8.50s/it] 752it [1:49:03, 8.49s/it] 753it [1:49:11, 8.47s/it] 754it [1:49:20, 8.51s/it] 755it [1:49:29, 8.50s/it] 756it [1:49:37, 8.48s/it] 757it [1:49:46, 8.49s/it] 758it [1:49:54, 8.48s/it] 759it [1:50:02, 8.48s/it] 760it [1:50:11, 8.45s/it] 761it [1:50:19, 8.46s/it] 762it [1:50:28, 8.48s/it] 763it [1:50:36, 8.47s/it] 764it [1:50:45, 8.47s/it] 765it [1:50:53, 8.48s/it] 766it [1:51:02, 8.46s/it] 767it [1:51:10, 8.46s/it] 768it [1:51:19, 8.47s/it] 769it [1:51:27, 8.49s/it] 770it [1:51:36, 8.47s/it] 771it [1:51:44, 8.47s/it] 772it [1:51:53, 8.49s/it] 773it [1:52:01, 8.49s/it] 774it [1:52:10, 8.48s/it] 775it [1:52:18, 8.44s/it] 776it [1:52:26, 8.45s/it] 777it [1:52:35, 8.45s/it] 778it [1:52:43, 8.44s/it] 779it [1:52:52, 8.42s/it] 780it [1:53:00, 8.42s/it] 781it [1:53:08, 8.42s/it] 782it [1:53:17, 8.43s/it] 783it [1:53:25, 8.42s/it] 784it [1:53:34, 8.43s/it] 785it [1:53:42, 8.44s/it] 786it [1:53:51, 8.44s/it] 787it [1:53:59, 8.46s/it] 788it [1:54:08, 8.47s/it] 789it [1:54:16, 8.46s/it] 790it [1:54:25, 8.47s/it] 791it [1:54:33, 8.48s/it] 792it [1:54:42, 8.47s/it] 793it [1:54:50, 8.47s/it] 794it [1:54:58, 8.47s/it] 795it [1:55:07, 8.47s/it] 796it [1:55:15, 8.45s/it] 797it [1:55:24, 8.44s/it] 798it [1:55:32, 8.44s/it] 799it [1:55:41, 8.45s/it] 800it [1:55:49, 8.44s/it] 801it [1:55:58, 8.47s/it] 802it [1:56:06, 8.45s/it] 803it [1:56:15, 8.46s/it] 804it [1:56:23, 8.47s/it] 805it [1:56:32, 8.47s/it] 806it [1:56:40, 8.47s/it] 807it [1:56:48, 8.47s/it] 808it [1:56:57, 8.49s/it] 809it [1:57:05, 8.49s/it] 810it [1:57:14, 8.47s/it] 811it [1:57:22, 8.49s/it] 812it [1:57:31, 8.48s/it] 813it [1:57:39, 8.49s/it] 814it [1:57:48, 8.52s/it] 815it [1:57:57, 8.54s/it] 816it [1:58:05, 8.56s/it] 817it [1:58:14, 8.57s/it] 818it [1:58:22, 8.60s/it] 819it [1:58:31, 8.59s/it] 820it [1:58:40, 8.59s/it] 821it [1:58:48, 8.60s/it] 822it [1:58:57, 8.60s/it] 823it [1:59:05, 8.60s/it] 824it [1:59:14, 8.58s/it] 825it [1:59:23, 8.58s/it] 826it [1:59:31, 8.56s/it] 827it [1:59:40, 8.56s/it] 828it [1:59:48, 8.57s/it] 829it [1:59:57, 8.54s/it] 830it [2:00:05, 8.56s/it] 831it [2:00:14, 8.53s/it] 832it [2:00:22, 8.56s/it] 833it [2:00:31, 8.55s/it] 834it [2:00:39, 8.54s/it] 835it [2:00:48, 8.53s/it] 836it [2:00:56, 8.52s/it] 837it [2:01:05, 8.53s/it] 838it [2:01:14, 8.53s/it] 839it [2:01:22, 8.53s/it] 840it [2:01:31, 8.53s/it] 841it [2:01:39, 8.55s/it] 842it [2:01:48, 8.55s/it] 843it [2:01:56, 8.53s/it] 844it [2:02:05, 8.52s/it] 845it [2:02:13, 8.53s/it] 846it [2:02:22, 8.58s/it] 847it [2:02:31, 8.57s/it] 848it [2:02:39, 8.57s/it] 849it [2:02:48, 8.56s/it] 850it [2:02:56, 8.56s/it] 851it [2:03:05, 8.56s/it] 852it [2:03:13, 8.57s/it] 853it [2:03:22, 8.56s/it] 854it [2:03:30, 8.57s/it] 855it [2:03:39, 8.57s/it] 856it [2:03:48, 8.58s/it] 857it [2:03:56, 8.59s/it] 858it [2:04:05, 8.57s/it] 859it [2:04:13, 8.56s/it] 860it [2:04:22, 8.56s/it] 861it [2:04:30, 8.56s/it] 862it [2:04:39, 8.58s/it] 863it [2:04:48, 8.58s/it] 864it [2:04:56, 8.59s/it] 865it [2:05:05, 8.61s/it] 866it [2:05:13, 8.60s/it] 867it [2:05:22, 8.60s/it] 868it [2:05:31, 8.58s/it] 869it [2:05:39, 8.58s/it] 870it [2:05:48, 8.58s/it] 871it [2:05:56, 8.57s/it] 872it [2:06:05, 8.59s/it] 873it [2:06:14, 8.58s/it] 874it [2:06:22, 8.58s/it] 875it [2:06:31, 8.59s/it] 876it [2:06:39, 8.60s/it] 877it [2:06:48, 8.61s/it] 878it [2:06:57, 8.65s/it] 879it [2:07:05, 8.66s/it] 880it [2:07:14, 8.64s/it] 881it [2:07:23, 8.63s/it] 882it [2:07:31, 8.64s/it] 883it [2:07:40, 8.64s/it] 884it [2:07:49, 8.65s/it] 885it [2:07:57, 8.69s/it] 886it [2:08:06, 8.73s/it] 887it [2:08:15, 8.78s/it] 888it [2:08:24, 8.80s/it] 889it [2:08:33, 8.79s/it] 890it [2:08:41, 8.75s/it] 891it [2:08:50, 8.73s/it] 892it [2:08:59, 8.72s/it] 893it [2:09:07, 8.72s/it] 894it [2:09:16, 8.68s/it] 895it [2:09:25, 8.69s/it] 896it [2:09:33, 8.68s/it] 897it [2:09:42, 8.65s/it] 898it [2:09:51, 8.66s/it] 899it [2:09:59, 8.65s/it] 900it [2:10:08, 8.63s/it] 901it [2:10:16, 8.60s/it] 902it [2:10:25, 8.59s/it] 903it [2:10:34, 8.59s/it] 904it [2:10:42, 8.57s/it] 905it [2:10:51, 8.58s/it] 906it [2:10:59, 8.61s/it] 907it [2:11:08, 8.61s/it] 908it [2:11:17, 8.61s/it] 909it [2:11:25, 8.61s/it] 910it [2:11:34, 8.61s/it] 911it [2:11:42, 8.59s/it] 912it [2:11:51, 8.58s/it] 913it [2:12:00, 8.60s/it] 914it [2:12:08, 8.61s/it] 915it [2:12:17, 8.62s/it] 916it [2:12:26, 8.66s/it] 917it [2:12:34, 8.70s/it] 918it [2:12:43, 8.71s/it] 919it [2:12:52, 8.74s/it] 920it [2:13:01, 8.74s/it] 921it [2:13:09, 8.72s/it] 922it [2:13:18, 8.73s/it] 923it [2:13:27, 8.74s/it] 924it [2:13:36, 8.74s/it] 925it [2:13:44, 8.73s/it] 926it [2:13:53, 8.73s/it] 927it [2:14:02, 8.73s/it] 928it [2:14:10, 8.72s/it] 929it [2:14:19, 8.72s/it] 930it [2:14:28, 8.72s/it] 931it [2:14:37, 8.70s/it] 932it [2:14:45, 8.68s/it] 933it [2:14:54, 8.69s/it] 934it [2:15:03, 8.72s/it] 935it [2:15:11, 8.74s/it] 936it [2:15:20, 8.74s/it] 937it [2:15:29, 8.74s/it] 938it [2:15:38, 8.73s/it] 939it [2:15:46, 8.71s/it] 940it [2:15:55, 8.71s/it] 941it [2:16:04, 8.70s/it] 942it [2:16:12, 8.65s/it] 943it [2:16:21, 8.62s/it] 944it [2:16:29, 8.59s/it] 945it [2:16:38, 8.58s/it] 946it [2:16:46, 8.57s/it] 947it [2:16:55, 8.56s/it] 948it [2:17:04, 8.57s/it] 949it [2:17:12, 8.57s/it] 950it [2:17:21, 8.58s/it] 951it [2:17:29, 8.59s/it] 952it [2:17:38, 8.58s/it] 953it [2:17:46, 8.57s/it] 954it [2:17:55, 8.59s/it] 955it [2:18:04, 8.60s/it] 956it [2:18:12, 8.57s/it] 957it [2:18:21, 8.59s/it] 958it [2:18:30, 8.62s/it] 959it [2:18:38, 8.62s/it] 960it [2:18:47, 8.66s/it] 961it [2:18:56, 8.70s/it] 962it [2:19:04, 8.72s/it] 963it [2:19:13, 8.72s/it] 964it [2:19:22, 8.71s/it] 965it [2:19:31, 8.71s/it] 966it [2:19:39, 8.68s/it] 967it [2:19:48, 8.67s/it] 968it [2:19:56, 8.65s/it] 969it [2:20:05, 8.63s/it] 970it [2:20:14, 8.61s/it] 971it [2:20:22, 8.59s/it] 972it [2:20:31, 8.63s/it] 973it [2:20:40, 8.67s/it] 974it [2:20:48, 8.71s/it] 975it [2:20:57, 8.74s/it] 976it [2:21:06, 8.74s/it] 977it [2:21:15, 8.73s/it] 978it [2:21:23, 8.73s/it] 979it [2:21:32, 8.72s/it] 980it [2:21:41, 8.71s/it] 981it [2:21:50, 8.73s/it] 982it [2:21:58, 8.78s/it] 983it [2:22:07, 8.79s/it] 984it [2:22:16, 8.77s/it] 985it [2:22:25, 8.75s/it] 986it [2:22:34, 8.77s/it] 987it [2:22:42, 8.79s/it] 988it [2:22:51, 8.79s/it] 989it [2:23:00, 8.81s/it] 990it [2:23:09, 8.83s/it] 991it [2:23:18, 8.80s/it] 992it [2:23:26, 8.80s/it] 993it [2:23:35, 8.79s/it] 994it [2:23:44, 8.80s/it] 995it [2:23:53, 8.81s/it] 996it [2:24:02, 8.81s/it] 997it [2:24:11, 8.81s/it] 998it [2:24:19, 8.80s/it] 999it [2:24:28, 8.80s/it] 1000it [2:24:37, 8.80s/it] 1000it [2:24:37, 8.68s/it] Error counts: cysteine_to_N_cyclization: 0 ⏰ Completed process in 5:42:36.381779 0it [00:00, ?it/s] 1it [00:11, 11.06s/it] 2it [00:22, 11.02s/it] 3it [00:33, 11.02s/it] 4it [00:44, 11.02s/it] 5it [00:55, 11.04s/it] 6it [01:06, 11.06s/it] 7it [01:17, 11.06s/it] 8it [01:28, 11.04s/it] 9it [01:39, 11.04s/it] 10it [01:50, 11.08s/it] 11it [02:01, 11.09s/it] 12it [02:12, 11.09s/it] 13it [02:23, 11.11s/it] 14it [02:35, 11.11s/it] 15it [02:46, 11.16s/it] 16it [02:57, 11.15s/it] 17it [03:08, 11.12s/it] 18it [03:19, 11.13s/it] 19it [03:30, 11.17s/it] 20it [03:42, 11.18s/it] 21it [03:53, 11.15s/it] 22it [04:04, 11.12s/it] 23it [04:15, 11.05s/it] 24it [04:26, 11.04s/it] 25it [04:37, 11.07s/it] 26it [04:48, 11.08s/it] 27it [04:59, 11.07s/it] 28it [05:10, 11.03s/it] 29it [05:21, 11.07s/it] 30it [05:32, 11.06s/it] 31it [05:43, 11.09s/it] 32it [05:54, 11.12s/it] 33it [06:06, 11.14s/it] 34it [06:17, 11.17s/it] 35it [06:28, 11.19s/it] 36it [06:39, 11.20s/it] 37it [06:50, 11.17s/it] 38it [07:02, 11.17s/it] 39it [07:13, 11.20s/it] 40it [07:24, 11.27s/it] 41it [07:36, 11.31s/it] 42it [07:47, 11.30s/it] 43it [07:58, 11.25s/it] 44it [08:09, 11.27s/it] 45it [08:21, 11.28s/it] 46it [08:32, 11.27s/it] 47it [08:43, 11.29s/it] 48it [08:54, 11.24s/it] 49it [09:06, 11.19s/it] 50it [09:17, 11.17s/it] 51it [09:28, 11.18s/it] 52it [09:39, 11.18s/it] 53it [09:50, 11.16s/it] 54it [10:01, 11.14s/it] 55it [10:12, 11.10s/it] 56it [10:23, 11.06s/it] 57it [10:34, 11.02s/it] 58it [10:45, 10.97s/it] 59it [10:56, 10.96s/it] 60it [11:07, 10.94s/it] 61it [11:18, 10.93s/it] 62it [11:29, 10.94s/it] 63it [11:40, 10.96s/it] 64it [11:51, 10.96s/it] 65it [12:02, 10.94s/it] 66it [12:12, 10.92s/it] 67it [12:23, 10.91s/it] 68it [12:34, 10.92s/it] 69it [12:45, 10.96s/it] 70it [12:56, 10.96s/it] 71it [13:07, 10.97s/it] 72it [13:18, 10.98s/it] 73it [13:29, 11.00s/it] 74it [13:40, 11.02s/it] 75it [13:51, 11.02s/it] 76it [14:02, 11.01s/it] 77it [14:13, 11.00s/it] 78it [14:24, 11.00s/it] 79it [14:35, 11.01s/it] 80it [14:46, 11.03s/it] 81it [14:57, 11.02s/it] 82it [15:09, 11.04s/it] 83it [15:20, 11.04s/it] 84it [15:31, 11.05s/it] 85it [15:42, 11.05s/it] 86it [15:53, 11.05s/it] 87it [16:04, 11.06s/it] 88it [16:15, 11.06s/it] 89it [16:26, 11.03s/it] 90it [16:37, 11.08s/it] 91it [16:48, 11.09s/it] 92it [16:59, 11.11s/it] 93it [17:10, 11.12s/it] 94it [17:22, 11.14s/it] 95it [17:33, 11.13s/it] 96it [17:44, 11.15s/it] 97it [17:55, 11.14s/it] 98it [18:06, 11.15s/it] 99it [18:17, 11.16s/it] 100it [18:28, 11.14s/it] 101it [18:40, 11.15s/it] 102it [18:51, 11.13s/it] 103it [19:02, 11.12s/it] 104it [19:13, 11.10s/it] 105it [19:24, 11.12s/it] 106it [19:35, 11.12s/it] 107it [19:46, 11.12s/it] 108it [19:57, 11.11s/it] 109it [20:08, 11.11s/it] 110it [20:20, 11.10s/it] 111it [20:31, 11.07s/it] 112it [20:42, 11.07s/it] 113it [20:53, 11.05s/it] 114it [21:04, 11.03s/it] 115it [21:15, 11.03s/it] 116it [21:26, 10.99s/it] 117it [21:37, 11.02s/it] 118it [21:48, 11.05s/it] 119it [21:59, 11.05s/it] 120it [22:10, 11.02s/it] 121it [22:21, 11.04s/it] 122it [22:32, 11.00s/it] 123it [22:43, 10.98s/it] 124it [22:54, 10.97s/it] 125it [23:05, 10.95s/it] 126it [23:15, 10.93s/it] 127it [23:26, 10.93s/it] 128it [23:37, 10.96s/it] 129it [23:48, 10.94s/it] 130it [23:59, 10.97s/it] 131it [24:10, 11.03s/it] 132it [24:22, 11.08s/it] 133it [24:33, 11.12s/it] 134it [24:44, 11.16s/it] 135it [24:55, 11.18s/it] 136it [25:07, 11.18s/it] 137it [25:18, 11.21s/it] 138it [25:29, 11.17s/it] 139it [25:40, 11.16s/it] 140it [25:51, 11.17s/it] 141it [26:02, 11.19s/it] 142it [26:14, 11.18s/it] 143it [26:25, 11.15s/it] 144it [26:36, 11.15s/it] 145it [26:47, 11.13s/it] 146it [26:58, 11.12s/it] 147it [27:09, 11.10s/it] 148it [27:20, 11.07s/it] 149it [27:31, 11.03s/it] 150it [27:42, 11.00s/it] 151it [27:53, 10.98s/it] 152it [28:04, 10.97s/it] 153it [28:15, 11.00s/it] 154it [28:26, 10.95s/it] 155it [28:37, 10.91s/it] 156it [28:47, 10.88s/it] 157it [28:58, 10.88s/it] 158it [29:09, 10.85s/it] 159it [29:20, 10.84s/it] 160it [29:31, 10.92s/it] 161it [29:42, 10.97s/it] 162it [29:53, 11.00s/it] 163it [30:04, 11.05s/it] 164it [30:15, 11.08s/it] 165it [30:26, 11.07s/it] 166it [30:38, 11.09s/it] 167it [30:49, 11.09s/it] 168it [31:00, 11.08s/it] 169it [31:11, 11.07s/it] 170it [31:22, 11.07s/it] 171it [31:33, 11.07s/it] 172it [31:44, 11.05s/it] 173it [31:55, 11.06s/it] 174it [32:06, 11.05s/it] 175it [32:17, 11.04s/it] 176it [32:28, 11.03s/it] 177it [32:39, 10.99s/it] 178it [32:50, 10.96s/it] 179it [33:01, 10.98s/it] 180it [33:12, 11.00s/it] 181it [33:23, 11.01s/it] 182it [33:34, 11.01s/it] 183it [33:45, 11.00s/it] 184it [33:56, 10.98s/it] 185it [34:07, 11.02s/it] 186it [34:18, 11.00s/it] 187it [34:29, 10.94s/it] 188it [34:40, 10.93s/it] 189it [34:51, 10.92s/it] 190it [35:01, 10.90s/it] 191it [35:12, 10.91s/it] 192it [35:23, 10.91s/it] 193it [35:34, 10.92s/it] 194it [35:45, 10.92s/it] 195it [35:56, 10.94s/it] 196it [36:07, 10.91s/it] 197it [36:18, 10.89s/it] 198it [36:29, 10.87s/it] 199it [36:39, 10.84s/it] 200it [36:50, 10.82s/it] 201it [37:01, 10.81s/it] 202it [37:12, 10.77s/it] 203it [37:22, 10.77s/it] 204it [37:33, 10.77s/it] 205it [37:44, 10.76s/it] 206it [37:55, 10.77s/it] 207it [38:05, 10.75s/it] 208it [38:16, 10.73s/it] 209it [38:27, 10.73s/it] 210it [38:37, 10.71s/it] 211it [38:48, 10.75s/it] 212it [38:59, 10.79s/it] 213it [39:10, 10.80s/it] 214it [39:21, 10.82s/it] 215it [39:32, 10.82s/it] 216it [39:42, 10.79s/it] 217it [39:53, 10.78s/it] 218it [40:04, 10.80s/it] 219it [40:15, 10.78s/it] 220it [40:26, 10.78s/it] 221it [40:36, 10.76s/it] 222it [40:47, 10.73s/it] 223it [40:58, 10.72s/it] 224it [41:08, 10.72s/it] 225it [41:19, 10.71s/it] 226it [41:30, 10.72s/it] 227it [41:41, 10.73s/it] 228it [41:51, 10.73s/it] 229it [42:02, 10.75s/it] 230it [42:13, 10.75s/it] 231it [42:23, 10.72s/it] 232it [42:34, 10.73s/it] 233it [42:45, 10.75s/it] 234it [42:56, 10.76s/it] 235it [43:06, 10.73s/it] 236it [43:17, 10.72s/it] 237it [43:28, 10.74s/it] 238it [43:39, 10.76s/it] 239it [43:50, 10.78s/it] 240it [44:01, 10.84s/it] 241it [44:11, 10.80s/it] 242it [44:22, 10.83s/it] 243it [44:33, 10.81s/it] 244it [44:44, 10.79s/it] 245it [44:54, 10.74s/it] 246it [45:05, 10.74s/it] 247it [45:16, 10.73s/it] 248it [45:26, 10.69s/it] 249it [45:37, 10.67s/it] 250it [45:48, 10.70s/it] 251it [45:59, 10.72s/it] 252it [46:09, 10.76s/it] 253it [46:20, 10.77s/it] 254it [46:31, 10.78s/it] 255it [46:42, 10.77s/it] 256it [46:53, 10.78s/it] 257it [47:03, 10.77s/it] 258it [47:14, 10.79s/it] 259it [47:25, 10.78s/it] 260it [47:36, 10.77s/it] 261it [47:46, 10.78s/it] 262it [47:57, 10.80s/it] 263it [48:08, 10.79s/it] 264it [48:19, 10.78s/it] 265it [48:29, 10.77s/it] 266it [48:40, 10.75s/it] 267it [48:51, 10.75s/it] 268it [49:02, 10.73s/it] 269it [49:12, 10.74s/it] 270it [49:23, 10.73s/it] 271it [49:34, 10.71s/it] 272it [49:44, 10.67s/it] 273it [49:55, 10.68s/it] 274it [50:06, 10.63s/it] 275it [50:16, 10.63s/it] 276it [50:27, 10.63s/it] 277it [50:37, 10.62s/it] 278it [50:48, 10.62s/it] 279it [50:59, 10.59s/it] 280it [51:09, 10.61s/it] 281it [51:20, 10.60s/it] 282it [51:30, 10.60s/it] 283it [51:41, 10.62s/it] 284it [51:52, 10.62s/it] 285it [52:02, 10.62s/it] 286it [52:13, 10.61s/it] 287it [52:24, 10.62s/it] 288it [52:34, 10.61s/it] 289it [52:45, 10.61s/it] 290it [52:55, 10.57s/it] 291it [53:06, 10.56s/it] 292it [53:16, 10.53s/it] 293it [53:27, 10.54s/it] 294it [53:37, 10.53s/it] 295it [53:48, 10.51s/it] 296it [53:58, 10.50s/it] 297it [54:09, 10.49s/it] 298it [54:19, 10.49s/it] 299it [54:30, 10.49s/it] 300it [54:40, 10.54s/it] 301it [54:51, 10.62s/it] 302it [55:02, 10.70s/it] 303it [55:13, 10.76s/it] 304it [55:24, 10.81s/it] 305it [55:35, 10.82s/it] 306it [55:46, 10.84s/it] 307it [55:56, 10.85s/it] 308it [56:07, 10.88s/it] 309it [56:18, 10.89s/it] 310it [56:29, 10.89s/it] 311it [56:40, 10.88s/it] 312it [56:51, 10.88s/it] 313it [57:02, 10.89s/it] 314it [57:13, 10.88s/it] 315it [57:24, 10.88s/it] 316it [57:34, 10.86s/it] 317it [57:45, 10.86s/it] 318it [57:56, 10.83s/it] 319it [58:07, 10.81s/it] 320it [58:17, 10.79s/it] 321it [58:28, 10.81s/it] 322it [58:39, 10.82s/it] 323it [58:50, 10.82s/it] 324it [59:01, 10.82s/it] 325it [59:12, 10.81s/it] 326it [59:22, 10.81s/it] 327it [59:33, 10.84s/it] 328it [59:44, 10.83s/it] 329it [59:55, 10.85s/it] 330it [1:00:06, 10.86s/it] 331it [1:00:17, 10.86s/it] 332it [1:00:28, 10.87s/it] 333it [1:00:38, 10.85s/it] 334it [1:00:49, 10.83s/it] 335it [1:01:00, 10.83s/it] 336it [1:01:11, 10.83s/it] 337it [1:01:22, 10.80s/it] 338it [1:01:32, 10.79s/it] 339it [1:01:43, 10.78s/it] 340it [1:01:54, 10.77s/it] 341it [1:02:04, 10.71s/it] 342it [1:02:15, 10.65s/it] 343it [1:02:26, 10.61s/it] 344it [1:02:36, 10.58s/it] 345it [1:02:47, 10.55s/it] 346it [1:02:57, 10.53s/it] 347it [1:03:07, 10.51s/it] 348it [1:03:18, 10.52s/it] 349it [1:03:28, 10.50s/it] 350it [1:03:39, 10.49s/it] 351it [1:03:49, 10.49s/it] 352it [1:04:00, 10.48s/it] 353it [1:04:10, 10.49s/it] 354it [1:04:21, 10.49s/it] 355it [1:04:31, 10.48s/it] 356it [1:04:42, 10.48s/it] 357it [1:04:52, 10.48s/it] 358it [1:05:03, 10.55s/it] 359it [1:05:14, 10.62s/it] 360it [1:05:24, 10.63s/it] 361it [1:05:35, 10.64s/it] 362it [1:05:46, 10.66s/it] 363it [1:05:56, 10.65s/it] 364it [1:06:07, 10.64s/it] 365it [1:06:18, 10.65s/it] 366it [1:06:28, 10.64s/it] 367it [1:06:39, 10.62s/it] 368it [1:06:49, 10.60s/it] 369it [1:07:00, 10.55s/it] 370it [1:07:10, 10.51s/it] 371it [1:07:21, 10.50s/it] 372it [1:07:31, 10.49s/it] 373it [1:07:42, 10.54s/it] 374it [1:07:53, 10.61s/it] 375it [1:08:03, 10.64s/it] 376it [1:08:14, 10.68s/it] 377it [1:08:25, 10.68s/it] 378it [1:08:36, 10.71s/it] 379it [1:08:46, 10.75s/it] 380it [1:08:57, 10.78s/it] 381it [1:09:08, 10.80s/it] 382it [1:09:19, 10.80s/it] 383it [1:09:30, 10.82s/it] 384it [1:09:41, 10.84s/it] 385it [1:09:51, 10.82s/it] 386it [1:10:02, 10.83s/it] 387it [1:10:13, 10.83s/it] 388it [1:10:24, 10.86s/it] 389it [1:10:35, 10.88s/it] 390it [1:10:46, 10.85s/it] 391it [1:10:57, 10.86s/it] 392it [1:11:08, 10.85s/it] 393it [1:11:18, 10.86s/it] 394it [1:11:29, 10.83s/it] 395it [1:11:40, 10.79s/it] 396it [1:11:51, 10.77s/it] 397it [1:12:01, 10.76s/it] 398it [1:12:12, 10.75s/it] 399it [1:12:23, 10.75s/it] 400it [1:12:34, 10.75s/it] 401it [1:12:44, 10.77s/it] 402it [1:12:55, 10.77s/it] 403it [1:13:06, 10.76s/it] 404it [1:13:17, 10.74s/it] 405it [1:13:27, 10.74s/it] 406it [1:13:38, 10.74s/it] 407it [1:13:49, 10.75s/it] 408it [1:13:59, 10.72s/it] 409it [1:14:10, 10.69s/it] 410it [1:14:21, 10.68s/it] 411it [1:14:31, 10.67s/it] 412it [1:14:42, 10.66s/it] 413it [1:14:53, 10.64s/it] 414it [1:15:03, 10.59s/it] 415it [1:15:14, 10.54s/it] 416it [1:15:24, 10.55s/it] 417it [1:15:35, 10.51s/it] 418it [1:15:45, 10.52s/it] 419it [1:15:56, 10.50s/it] 420it [1:16:06, 10.49s/it] 421it [1:16:16, 10.49s/it] 422it [1:16:27, 10.47s/it] 423it [1:16:37, 10.44s/it] 424it [1:16:48, 10.44s/it] 425it [1:16:58, 10.42s/it] 426it [1:17:08, 10.39s/it] 427it [1:17:19, 10.40s/it] 428it [1:17:29, 10.40s/it] 429it [1:17:40, 10.40s/it] 430it [1:17:50, 10.39s/it] 431it [1:18:01, 10.47s/it] 432it [1:18:11, 10.56s/it] 433it [1:18:22, 10.59s/it] 434it [1:18:33, 10.58s/it] 435it [1:18:43, 10.60s/it] 436it [1:18:54, 10.60s/it] 437it [1:19:05, 10.62s/it] 438it [1:19:15, 10.60s/it] 439it [1:19:26, 10.59s/it] 440it [1:19:36, 10.63s/it] 441it [1:19:47, 10.64s/it] 442it [1:19:58, 10.66s/it] 443it [1:20:08, 10.65s/it] 444it [1:20:19, 10.65s/it] 445it [1:20:30, 10.64s/it] 446it [1:20:40, 10.63s/it] 447it [1:20:51, 10.62s/it] 448it [1:21:02, 10.64s/it] 449it [1:21:12, 10.64s/it] 450it [1:21:23, 10.65s/it] 451it [1:21:33, 10.64s/it] 452it [1:21:44, 10.68s/it] 453it [1:21:55, 10.71s/it] 454it [1:22:06, 10.70s/it] 455it [1:22:16, 10.70s/it] 456it [1:22:27, 10.70s/it] 457it 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[2:33:40, 10.43s/it] 865it [2:33:51, 10.43s/it] 866it [2:34:01, 10.41s/it] 867it [2:34:12, 10.43s/it] 868it [2:34:22, 10.46s/it] 869it [2:34:33, 10.45s/it] 870it [2:34:43, 10.44s/it] 871it [2:34:53, 10.42s/it] 872it [2:35:04, 10.43s/it] 873it [2:35:14, 10.46s/it] 874it [2:35:25, 10.44s/it] 875it [2:35:35, 10.45s/it] 876it [2:35:46, 10.43s/it] 877it [2:35:56, 10.43s/it] 878it [2:36:07, 10.44s/it] 879it [2:36:17, 10.46s/it] 880it [2:36:27, 10.44s/it] 881it [2:36:38, 10.44s/it] 882it [2:36:48, 10.45s/it] 883it [2:36:59, 10.43s/it] 884it [2:37:09, 10.40s/it] 885it [2:37:19, 10.38s/it] 886it [2:37:30, 10.38s/it] 887it [2:37:40, 10.40s/it] 888it [2:37:51, 10.42s/it] 889it [2:38:01, 10.42s/it] 890it [2:38:11, 10.41s/it] 891it [2:38:22, 10.40s/it] 892it [2:38:32, 10.41s/it] 893it [2:38:43, 10.41s/it] 894it [2:38:53, 10.41s/it] 895it [2:39:03, 10.40s/it] 896it [2:39:14, 10.41s/it] 897it [2:39:24, 10.41s/it] 898it [2:39:35, 10.43s/it] 899it [2:39:45, 10.45s/it] 900it [2:39:56, 10.45s/it] 901it [2:40:06, 10.46s/it] 902it [2:40:17, 10.47s/it] 903it [2:40:27, 10.47s/it] 904it [2:40:38, 10.48s/it] 905it [2:40:48, 10.46s/it] 906it [2:40:59, 10.49s/it] 907it [2:41:09, 10.50s/it] 908it [2:41:20, 10.52s/it] 909it [2:41:30, 10.48s/it] 910it [2:41:41, 10.46s/it] 911it [2:41:51, 10.44s/it] 912it [2:42:01, 10.45s/it] 913it [2:42:12, 10.47s/it] 914it [2:42:22, 10.46s/it] 915it [2:42:33, 10.44s/it] 916it [2:42:43, 10.44s/it] 917it [2:42:54, 10.44s/it] 918it [2:43:04, 10.43s/it] 919it [2:43:15, 10.44s/it] 920it [2:43:25, 10.43s/it] 921it [2:43:35, 10.43s/it] 922it [2:43:46, 10.44s/it] 923it [2:43:56, 10.44s/it] 924it [2:44:07, 10.45s/it] 925it [2:44:17, 10.44s/it] 926it [2:44:28, 10.42s/it] 927it [2:44:38, 10.42s/it] 928it [2:44:48, 10.42s/it] 929it [2:44:59, 10.43s/it] 930it [2:45:09, 10.45s/it] 931it [2:45:20, 10.43s/it] 932it [2:45:30, 10.42s/it] 933it [2:45:40, 10.42s/it] 934it [2:45:51, 10.46s/it] 935it [2:46:02, 10.47s/it] 936it [2:46:12, 10.47s/it] 937it [2:46:22, 10.44s/it] 938it [2:46:33, 10.42s/it] 939it [2:46:43, 10.43s/it] 940it [2:46:54, 10.43s/it] 941it [2:47:04, 10.43s/it] 942it [2:47:14, 10.42s/it] 943it [2:47:25, 10.43s/it] 944it [2:47:35, 10.41s/it] 945it [2:47:46, 10.40s/it] 946it [2:47:56, 10.41s/it] 947it [2:48:06, 10.41s/it] 948it [2:48:17, 10.41s/it] 949it [2:48:27, 10.43s/it] 950it [2:48:38, 10.45s/it] 951it [2:48:48, 10.47s/it] 952it [2:48:59, 10.48s/it] 953it [2:49:09, 10.47s/it] 954it [2:49:20, 10.46s/it] 955it [2:49:30, 10.45s/it] 956it [2:49:41, 10.46s/it] 957it [2:49:51, 10.47s/it] 958it [2:50:02, 10.50s/it] 959it [2:50:12, 10.50s/it] 960it [2:50:23, 10.51s/it] 961it [2:50:33, 10.50s/it] 962it [2:50:44, 10.50s/it] 963it [2:50:54, 10.49s/it] 964it [2:51:05, 10.49s/it] 965it [2:51:15, 10.50s/it] 966it [2:51:26, 10.49s/it] 967it [2:51:36, 10.50s/it] 968it [2:51:47, 10.49s/it] 969it [2:51:57, 10.49s/it] 970it [2:52:08, 10.47s/it] 971it [2:52:18, 10.44s/it] 972it [2:52:28, 10.43s/it] 973it [2:52:39, 10.44s/it] 974it [2:52:49, 10.45s/it] 975it [2:53:00, 10.44s/it] 976it [2:53:10, 10.43s/it] 977it [2:53:21, 10.44s/it] 978it [2:53:31, 10.44s/it] 979it [2:53:42, 10.44s/it] 980it [2:53:52, 10.45s/it] 981it [2:54:02, 10.43s/it] 982it [2:54:13, 10.44s/it] 983it [2:54:23, 10.43s/it] 984it [2:54:34, 10.45s/it] 985it [2:54:44, 10.48s/it] 986it [2:54:55, 10.54s/it] 987it [2:55:06, 10.58s/it] 988it [2:55:16, 10.59s/it] 989it [2:55:27, 10.59s/it] 990it [2:55:37, 10.61s/it] 991it [2:55:48, 10.60s/it] 992it [2:55:59, 10.58s/it] 993it [2:56:09, 10.58s/it] 994it [2:56:20, 10.56s/it] 995it [2:56:30, 10.56s/it] 996it [2:56:41, 10.58s/it] 997it [2:56:51, 10.58s/it] 998it [2:57:02, 10.56s/it] 999it [2:57:12, 10.54s/it] 1000it [2:57:23, 10.55s/it] 1000it [2:57:23, 10.64s/it] Error counts: cyclic_id: 0 cyclic_inchikey: 0 cyclic_scaffold: 0 cyclic_mwt: 0 cyclic_clogp: 0 cyclic_tpsa: 0 ⏰ Completed process in 8:40:01.031084 0it [00:00, ?it/s] 1it [00:00, 9.04it/s] 2it [00:00, 9.06it/s] 3it [00:00, 9.22it/s] 4it [00:00, 9.32it/s] 5it [00:00, 9.32it/s] 6it [00:00, 9.39it/s] 7it [00:00, 9.39it/s] 8it [00:00, 9.42it/s] 9it [00:00, 9.43it/s] 10it [00:01, 9.44it/s] 11it [00:01, 9.42it/s] 12it [00:01, 9.47it/s] 13it [00:01, 9.44it/s] 14it [00:01, 9.37it/s] 15it [00:01, 9.40it/s] 16it [00:01, 9.38it/s] 17it [00:01, 9.43it/s] 18it [00:01, 9.46it/s] 19it [00:02, 9.44it/s] 20it [00:02, 9.41it/s] 21it [00:02, 9.41it/s] 22it [00:02, 9.41it/s] 23it [00:02, 9.46it/s] 24it [00:02, 9.45it/s] 25it [00:02, 9.49it/s] 26it [00:02, 9.49it/s] 27it [00:02, 9.43it/s] 28it [00:02, 9.44it/s] 29it [00:03, 9.41it/s] 30it [00:03, 9.42it/s] 31it [00:03, 9.43it/s] 32it [00:03, 9.37it/s] 33it [00:03, 9.30it/s] 34it [00:03, 9.29it/s] 35it [00:03, 9.33it/s] 36it [00:03, 9.34it/s] 37it [00:03, 9.37it/s] 38it [00:04, 9.38it/s] 39it [00:04, 9.37it/s] 40it [00:04, 9.30it/s] 41it [00:04, 9.32it/s] 42it [00:04, 9.34it/s] 43it [00:04, 9.20it/s] 44it [00:04, 9.11it/s] 45it [00:04, 9.04it/s] 46it [00:04, 9.08it/s] 47it [00:05, 9.14it/s] 48it [00:05, 9.22it/s] 49it [00:05, 9.27it/s] 50it [00:05, 9.28it/s] 51it [00:05, 9.25it/s] 52it [00:05, 9.09it/s] 53it [00:05, 9.17it/s] 54it [00:05, 9.22it/s] 55it [00:05, 9.20it/s] 56it [00:06, 9.22it/s] 57it [00:06, 9.25it/s] 58it [00:06, 9.20it/s] 59it [00:06, 9.06it/s] 60it [00:06, 9.13it/s] 61it [00:06, 9.18it/s] 62it [00:06, 9.23it/s] 63it [00:06, 9.18it/s] 64it [00:06, 9.13it/s] 65it [00:06, 9.05it/s] 66it [00:07, 9.14it/s] 67it [00:07, 9.20it/s] 68it [00:07, 9.23it/s] 69it [00:07, 9.25it/s] 70it [00:07, 9.23it/s] 71it [00:07, 9.21it/s] 72it [00:07, 9.22it/s] 73it [00:07, 9.26it/s] 74it [00:07, 9.24it/s] 75it [00:08, 9.23it/s] 76it [00:08, 9.25it/s] 77it [00:08, 9.22it/s] 78it [00:08, 9.28it/s] 79it [00:08, 9.28it/s] 80it [00:08, 9.21it/s] 81it [00:08, 9.18it/s] 82it [00:08, 9.22it/s] 83it [00:08, 9.27it/s] 84it [00:09, 9.27it/s] 85it [00:09, 9.26it/s] 86it [00:09, 9.20it/s] 87it [00:09, 9.21it/s] 88it [00:09, 9.27it/s] 89it [00:09, 9.30it/s] 90it [00:09, 9.26it/s] 91it [00:09, 9.27it/s] 92it [00:09, 9.26it/s] 93it [00:10, 9.23it/s] 94it [00:10, 9.27it/s] 95it [00:10, 9.29it/s] 96it [00:10, 9.32it/s] 97it [00:10, 9.29it/s] 98it [00:10, 9.21it/s] 99it [00:10, 9.23it/s] 100it [00:10, 9.27it/s] 101it [00:10, 9.24it/s] 102it [00:10, 9.17it/s] 103it [00:11, 9.19it/s] 104it [00:11, 9.25it/s] 105it [00:11, 9.26it/s] 106it [00:11, 9.20it/s] 107it [00:11, 9.22it/s] 108it [00:11, 9.23it/s] 109it [00:11, 9.20it/s] 110it [00:11, 9.22it/s] 111it [00:11, 9.29it/s] 112it [00:12, 9.25it/s] 113it [00:12, 9.27it/s] 114it [00:12, 9.26it/s] 115it [00:12, 9.28it/s] 116it [00:12, 9.28it/s] 117it [00:12, 9.33it/s] 118it [00:12, 9.30it/s] 119it [00:12, 9.27it/s] 120it [00:12, 9.24it/s] 121it [00:13, 9.24it/s] 122it [00:13, 9.25it/s] 123it [00:13, 9.27it/s] 124it [00:13, 9.30it/s] 125it [00:13, 9.29it/s] 126it [00:13, 9.25it/s] 127it [00:13, 9.27it/s] 128it [00:13, 9.29it/s] 129it [00:13, 9.35it/s] 130it [00:14, 9.34it/s] 131it [00:14, 9.37it/s] 132it [00:14, 9.39it/s] 133it [00:14, 9.35it/s] 134it [00:14, 9.35it/s] 135it [00:14, 9.30it/s] 136it [00:14, 9.27it/s] 137it [00:14, 9.28it/s] 138it [00:14, 9.32it/s] 139it [00:14, 9.34it/s] 140it [00:15, 9.25it/s] 141it [00:15, 9.25it/s] 142it [00:15, 9.31it/s] 143it [00:15, 9.36it/s] 144it [00:15, 9.35it/s] 145it [00:15, 9.26it/s] 146it [00:15, 9.28it/s] 147it [00:15, 9.25it/s] 148it [00:15, 9.28it/s] 149it [00:16, 9.30it/s] 150it [00:16, 9.24it/s] 151it [00:16, 9.24it/s] 152it [00:16, 9.25it/s] 153it [00:16, 9.32it/s] 154it [00:16, 9.34it/s] 155it [00:16, 9.31it/s] 156it [00:16, 9.25it/s] 157it [00:16, 9.27it/s] 158it [00:17, 9.32it/s] 159it [00:17, 9.33it/s] 160it [00:17, 9.36it/s] 161it [00:17, 9.35it/s] 162it [00:17, 9.38it/s] 163it [00:17, 9.34it/s] 164it [00:17, 9.34it/s] 165it [00:17, 9.35it/s] 166it [00:17, 9.37it/s] 167it [00:17, 9.36it/s] 168it [00:18, 9.38it/s] 169it [00:18, 9.32it/s] 170it [00:18, 9.34it/s] 171it [00:18, 9.34it/s] 172it [00:18, 9.32it/s] 173it [00:18, 9.36it/s] 174it [00:18, 9.40it/s] 175it [00:18, 9.36it/s] 176it [00:18, 9.32it/s] 177it [00:19, 9.34it/s] 178it [00:19, 9.30it/s] 179it [00:19, 9.27it/s] 180it [00:19, 9.31it/s] 181it [00:19, 9.25it/s] 182it [00:19, 9.28it/s] 183it [00:19, 9.31it/s] 184it [00:19, 9.31it/s] 185it [00:19, 9.31it/s] 186it [00:20, 9.32it/s] 187it [00:20, 9.35it/s] 188it [00:20, 9.34it/s] 189it [00:20, 9.30it/s] 190it [00:20, 9.32it/s] 191it [00:20, 9.34it/s] 192it [00:20, 9.36it/s] 193it [00:20, 9.31it/s] 194it [00:20, 9.21it/s] 195it [00:20, 9.27it/s] 196it [00:21, 9.34it/s] 197it [00:21, 9.32it/s] 198it [00:21, 9.35it/s] 199it [00:21, 9.39it/s] 200it [00:21, 9.39it/s] 201it [00:21, 9.33it/s] 202it [00:21, 9.36it/s] 203it [00:21, 9.30it/s] 204it [00:21, 9.31it/s] 205it [00:22, 9.29it/s] 206it [00:22, 9.34it/s] 207it [00:22, 9.34it/s] 208it [00:22, 9.30it/s] 209it [00:22, 9.35it/s] 210it [00:22, 9.33it/s] 211it [00:22, 9.32it/s] 212it [00:22, 9.33it/s] 213it [00:22, 9.27it/s] 214it [00:23, 9.26it/s] 215it [00:23, 9.29it/s] 216it [00:23, 9.33it/s] 217it [00:23, 9.34it/s] 218it [00:23, 9.36it/s] 219it [00:23, 9.35it/s] 220it [00:23, 9.34it/s] 221it [00:23, 9.31it/s] 222it [00:23, 9.31it/s] 223it [00:23, 9.32it/s] 224it [00:24, 9.31it/s] 225it [00:24, 9.32it/s] 226it [00:24, 9.32it/s] 227it [00:24, 9.35it/s] 228it [00:24, 9.36it/s] 229it [00:24, 9.34it/s] 230it [00:24, 9.32it/s] 231it [00:24, 9.31it/s] 232it [00:24, 9.30it/s] 233it [00:25, 9.28it/s] 234it [00:25, 9.18it/s] 235it [00:25, 9.21it/s] 236it [00:25, 9.18it/s] 237it [00:25, 9.24it/s] 238it [00:25, 9.26it/s] 239it [00:25, 9.29it/s] 240it [00:25, 9.28it/s] 241it [00:25, 9.24it/s] 242it [00:26, 9.25it/s] 243it [00:26, 9.28it/s] 244it [00:26, 9.26it/s] 245it [00:26, 9.31it/s] 246it [00:26, 9.29it/s] 247it [00:26, 9.24it/s] 248it [00:26, 9.15it/s] 249it [00:26, 9.18it/s] 250it [00:26, 9.21it/s] 251it [00:27, 9.26it/s] 252it [00:27, 9.25it/s] 253it [00:27, 9.26it/s] 254it [00:27, 9.25it/s] 255it [00:27, 9.24it/s] 256it [00:27, 9.24it/s] 257it [00:27, 9.21it/s] 258it [00:27, 9.24it/s] 259it [00:27, 9.27it/s] 260it [00:27, 9.24it/s] 261it [00:28, 9.22it/s] 262it [00:28, 9.26it/s] 263it [00:28, 9.28it/s] 264it [00:28, 9.28it/s] 265it [00:28, 9.24it/s] 266it [00:28, 9.25it/s] 267it [00:28, 9.29it/s] 268it [00:28, 9.34it/s] 269it [00:28, 9.33it/s] 270it [00:29, 9.27it/s] 271it [00:29, 9.29it/s] 272it [00:29, 9.25it/s] 273it [00:29, 9.28it/s] 274it [00:29, 9.26it/s] 275it [00:29, 9.26it/s] 276it [00:29, 9.27it/s] 277it [00:29, 9.24it/s] 278it [00:29, 9.16it/s] 279it [00:30, 9.21it/s] 280it [00:30, 9.25it/s] 281it [00:30, 9.25it/s] 282it [00:30, 9.23it/s] 283it [00:30, 9.25it/s] 284it [00:30, 9.20it/s] 285it [00:30, 9.14it/s] 286it [00:30, 9.20it/s] 287it [00:30, 9.28it/s] 288it [00:31, 9.26it/s] 289it [00:31, 9.28it/s] 290it [00:31, 9.29it/s] 291it [00:31, 9.29it/s] 292it [00:31, 9.29it/s] 293it [00:31, 9.29it/s] 294it [00:31, 9.35it/s] 295it [00:31, 9.34it/s] 296it [00:31, 9.30it/s] 297it [00:31, 9.27it/s] 298it [00:32, 9.28it/s] 299it [00:32, 9.24it/s] 300it [00:32, 9.26it/s] 301it [00:32, 9.26it/s] 302it [00:32, 9.19it/s] 303it [00:32, 9.24it/s] 304it [00:32, 9.27it/s] 305it [00:32, 9.25it/s] 306it [00:32, 9.25it/s] 307it [00:33, 9.31it/s] 308it [00:33, 9.33it/s] 309it [00:33, 9.24it/s] 310it [00:33, 9.27it/s] 311it [00:33, 9.29it/s] 312it [00:33, 9.33it/s] 313it [00:33, 9.33it/s] 314it [00:33, 9.31it/s] 315it [00:33, 9.28it/s] 316it [00:34, 9.20it/s] 317it [00:34, 9.28it/s] 318it [00:34, 9.33it/s] 319it [00:34, 9.35it/s] 320it [00:34, 9.37it/s] 321it [00:34, 9.35it/s] 322it [00:34, 9.34it/s] 323it [00:34, 9.33it/s] 324it [00:34, 9.36it/s] 325it [00:34, 9.36it/s] 326it [00:35, 9.33it/s] 327it [00:35, 9.26it/s] 328it [00:35, 9.24it/s] 329it [00:35, 9.25it/s] 330it [00:35, 9.25it/s] 331it [00:35, 9.29it/s] 332it [00:35, 9.29it/s] 333it [00:35, 9.30it/s] 334it [00:35, 9.25it/s] 335it [00:36, 9.16it/s] 336it [00:36, 9.17it/s] 337it [00:36, 9.23it/s] 338it [00:36, 9.28it/s] 339it [00:36, 9.22it/s] 340it [00:36, 9.22it/s] 341it [00:36, 9.26it/s] 342it 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9.24it/s] 965it [01:43, 9.21it/s] 966it [01:43, 9.22it/s] 967it [01:43, 9.21it/s] 968it [01:44, 9.22it/s] 969it [01:44, 9.26it/s] 970it [01:44, 9.27it/s] 971it [01:44, 9.26it/s] 972it [01:44, 9.24it/s] 973it [01:44, 9.24it/s] 974it [01:44, 9.26it/s] 975it [01:44, 9.22it/s] 976it [01:44, 9.26it/s] 977it [01:45, 9.21it/s] 978it [01:45, 9.24it/s] 979it [01:45, 9.33it/s] 980it [01:45, 9.32it/s] 981it [01:45, 9.34it/s] 982it [01:45, 9.33it/s] 983it [01:45, 9.34it/s] 984it [01:45, 9.33it/s] 985it [01:45, 9.36it/s] 986it [01:46, 9.35it/s] 987it [01:46, 9.40it/s] 988it [01:46, 9.38it/s] 989it [01:46, 9.37it/s] 990it [01:46, 9.41it/s] 991it [01:46, 9.44it/s] 992it [01:46, 9.39it/s] 993it [01:46, 9.40it/s] 994it [01:46, 9.41it/s] 995it [01:46, 9.35it/s] 996it [01:47, 9.36it/s] 997it [01:47, 9.40it/s] 998it [01:47, 9.39it/s] 999it [01:47, 9.36it/s] 1000it [01:47, 9.35it/s] 1000it [01:47, 9.30it/s] Split counts: train: 674000 test: 164000 validation: 162000 ⏰ Completed process in 8:41:49.792660 ++ date + echo 'Sat 2 Nov 00:42:39 GMT 2024 :: 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-45000000-46000000.csv.gz' + AWK_SCRIPT='NR == 1 { n=split($0,h); for(i=1;i<=n;i++) col[h[i]]=i; print $0 }; ( NR > 1 && $col[c1] == "True" ) { print $0 }' + for split in train test validation ++ dirname 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-45000000-46000000.csv.gz + split_dir=20241101_peptides_6-12x100M/train ++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-45000000-46000000.csv.gz .csv.gz + split_file=20241101_peptides_6-12x100M/train/peptides_length-10_n-100000000_slice-45000000-46000000.csv.gz + mkdir -p 20241101_peptides_6-12x100M/train ++ date + echo 'Sat 2 Nov 00:42:39 GMT 2024 :: Saving train...' Sat 2 Nov 00:42:39 GMT 2024 :: Saving train... + zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-45000000-46000000.csv.gz + gzip --best + awk -F, -v OFS=, -v c1=is_train 'NR == 1 { n=split($0,h); for(i=1;i<=n;i++) col[h[i]]=i; print $0 }; ( NR > 1 && $col[c1] == "True" ) { print $0 }' ++ date + echo 'Sat 2 Nov 00:43:37 GMT 2024 :: 20241101_peptides_6-12x100M/train/peptides_length-10_n-100000000_slice-45000000-46000000.csv.gz' + for split in train test validation ++ dirname 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-45000000-46000000.csv.gz + split_dir=20241101_peptides_6-12x100M/test ++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-45000000-46000000.csv.gz .csv.gz + split_file=20241101_peptides_6-12x100M/test/peptides_length-10_n-100000000_slice-45000000-46000000.csv.gz + mkdir -p 20241101_peptides_6-12x100M/test ++ date + echo 'Sat 2 Nov 00:43:37 GMT 2024 :: Saving test...' Sat 2 Nov 00:43:37 GMT 2024 :: Saving test... + zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-45000000-46000000.csv.gz + gzip --best + awk -F, -v OFS=, -v c1=is_test 'NR == 1 { n=split($0,h); for(i=1;i<=n;i++) col[h[i]]=i; print $0 }; ( NR > 1 && $col[c1] == "True" ) { print $0 }' ++ date + echo 'Sat 2 Nov 00:44:02 GMT 2024 :: 20241101_peptides_6-12x100M/test/peptides_length-10_n-100000000_slice-45000000-46000000.csv.gz' + for split in train test validation ++ dirname 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-45000000-46000000.csv.gz + split_dir=20241101_peptides_6-12x100M/validation ++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-45000000-46000000.csv.gz .csv.gz + split_file=20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-45000000-46000000.csv.gz + mkdir -p 20241101_peptides_6-12x100M/validation ++ date + echo 'Sat 2 Nov 00:44:02 GMT 2024 :: Saving validation...' Sat 2 Nov 00:44:02 GMT 2024 :: Saving validation... + zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-45000000-46000000.csv.gz + gzip --best + awk -F, -v OFS=, -v c1=is_validation 'NR == 1 { n=split($0,h); for(i=1;i<=n;i++) col[h[i]]=i; print $0 }; ( NR > 1 && $col[c1] == "True" ) { print $0 }' ++ date + echo 'Sat 2 Nov 00:44:28 GMT 2024 :: 20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-45000000-46000000.csv.gz' + '[' -e 20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-45000000-46000000.csv.gz.success ']' + rm 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-45000000-46000000.csv.gz 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-45000000-46000000.csv.gz.success + set +x Sat 2 Nov 00:44:28 GMT 2024 > Peptide generation complete