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Fri 1 Nov 15:53:41 GMT 2024 > Generating peptides on cn075 |
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GNU bash, version 4.4.20(1)-release (x86_64-redhat-linux-gnu) |
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Copyright (C) 2016 Free Software Foundation, Inc. |
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License GPLv3+: GNU GPL version 3 or later <http://gnu.org/licenses/gpl.html> |
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This is free software; you are free to change and redistribute it. |
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There is NO WARRANTY, to the extent permitted by law. |
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Fri 1 Nov 15:53:41 GMT 2024 > Running /camp/apps/eb/software/Anaconda3/2023.03/bin/python : Python 3.10.10 |
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Fri 1 Nov 15:53:41 GMT 2024 > Using Conda from . |
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Fri 1 Nov 15:53:41 GMT 2024 > Seed = 1; length = 10; max. number = 100000000; slice = 1000000 to 2000000; output dir. = 20241101_peptides_6-12x100M |
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Fri 1 Nov 15:53:41 GMT 2024 > There are 10240000000000 peptides of length 10; generating 100000000 (0.000976563 |
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Fri 1 Nov 15:53:41 GMT 2024 > Saving a slice to 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-1000000-2000000.csv.gz... |
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+ schemist enumerate --seed 1 --max-length 10 --prefix GY --suffix CGSGSGS --number 9.76563e-06 --slice 1000000 2000000 |
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+ schemist convert --column cysteine_to_N_cyclization --to id inchikey scaffold mwt clogp tpsa --prefix cyclic_ --options prefix=SCB- |
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+ gzip --best |
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+ schemist react --column SMILES --reaction cysteine_to_N_cyclization |
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+ schemist split --type random --train 0.7 --test 0.15 --column cysteine_to_N_cyclization --seed 1 |
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+ tr ' ' , |
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+ schemist convert --column SMILES --to id inchikey scaffold mwt clogp tpsa --prefix linear_ --options prefix=SCB- |
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🚀 Converting between string representations with the following parameters: |
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subcommand: convert |
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output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'> |
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format: None |
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input: <_io.TextIOWrapper name='<stdin>' mode='r' encoding='utf-8'> |
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representation: SMILES |
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column: cysteine_to_N_cyclization |
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prefix: cyclic_ |
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to: ['id', 'inchikey', 'scaffold', 'mwt', 'clogp', 'tpsa'] |
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options: ['prefix=SCB-'] |
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func: <function _convert at 0x7fa7cca0f240> |
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🚀 Splitting table with the following parameters: |
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subcommand: split |
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output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'> |
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format: None |
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input: <_io.TextIOWrapper name='<stdin>' mode='r' encoding='utf-8'> |
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representation: SMILES |
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column: cysteine_to_N_cyclization |
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prefix: None |
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type: random |
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train: 0.7 |
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test: 0.15 |
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seed: 1 |
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func: <function _split at 0x7f4d6aa8f4c0> |
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🚀 Reacting peptides with the following parameters: |
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subcommand: react |
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output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'> |
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format: None |
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input: <_io.TextIOWrapper name='<stdin>' mode='r' encoding='utf-8'> |
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representation: SMILES |
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column: SMILES |
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name: None |
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reaction: ['cysteine_to_N_cyclization'] |
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func: <function _react at 0x7f85b0e639c0> |
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🚀 Enumerating peptides with the following parameters: |
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subcommand: enumerate |
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output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'> |
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format: None |
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to: SMILES |
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options: None |
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alphabet: GALVITSMCPFYWHKRDENQ |
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max_length: 10 |
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min_length: None |
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number: 9.76563e-06 |
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slice: ['1000000', '2000000'] |
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seed: 1 |
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prefix: GY |
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suffix: CGSGSGS |
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type: aa |
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d_aa_only: False |
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include_d_aa: False |
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func: <function _enum at 0x7f9d5bfa3880> |
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Sampling 100000051 (0.000976562998046875 |
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> Executing naive sampling. |
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0it [00:00, ?it/s]🚀 Converting between string representations with the following parameters: |
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subcommand: convert |
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output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'> |
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format: None |
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input: <_io.TextIOWrapper name='<stdin>' mode='r' encoding='utf-8'> |
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representation: SMILES |
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column: SMILES |
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prefix: linear_ |
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to: ['id', 'inchikey', 'scaffold', 'mwt', 'clogp', 'tpsa'] |
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options: ['prefix=SCB-'] |
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func: <function _convert at 0x7f71e216b240> |
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897it [15:54, 1.16s/it]
898it [15:55, 1.15s/it]
899it [15:56, 1.15s/it]
900it [15:57, 1.15s/it]
901it [15:59, 1.15s/it]
902it [16:00, 1.14s/it]
903it [16:01, 1.13s/it]
904it [16:02, 1.13s/it]
905it [16:03, 1.13s/it]
906it [16:04, 1.14s/it]
907it [16:05, 1.13s/it]
908it [16:06, 1.14s/it]
909it [16:08, 1.14s/it]
910it [16:09, 1.14s/it]
911it [16:10, 1.14s/it]
912it [16:11, 1.14s/it]
913it [16:12, 1.14s/it]
914it [16:13, 1.14s/it]
915it [16:14, 1.13s/it]
916it [16:16, 1.13s/it]
917it [16:17, 1.13s/it]
918it [16:18, 1.12s/it]
919it [16:19, 1.13s/it]
920it [16:20, 1.13s/it]
921it [16:21, 1.12s/it]
922it [16:22, 1.12s/it]
923it [16:23, 1.11s/it]
924it [16:24, 1.11s/it]
925it [16:26, 1.10s/it]
926it [16:27, 1.10s/it]
927it [16:28, 1.10s/it]
928it [16:29, 1.10s/it]
929it [16:30, 1.10s/it]
930it [16:31, 1.09s/it]
931it [16:32, 1.10s/it]
932it [16:33, 1.10s/it]
933it [16:34, 1.11s/it]
934it [16:35, 1.11s/it]
935it [16:37, 1.12s/it]
936it [16:38, 1.12s/it]
937it [16:39, 1.11s/it]
938it [16:40, 1.10s/it]
939it [16:41, 1.10s/it]
940it [16:42, 1.09s/it]
941it [16:43, 1.09s/it]
942it [16:44, 1.09s/it]
943it [16:45, 1.09s/it]
944it [16:46, 1.09s/it]
945it [16:48, 1.12s/it]
946it [16:49, 1.13s/it]
947it [16:50, 1.14s/it]
948it [16:51, 1.13s/it]
949it [16:52, 1.13s/it]
950it [16:53, 1.13s/it]
951it [16:54, 1.13s/it]
952it [16:56, 1.13s/it]
953it [16:57, 1.12s/it]
954it [16:58, 1.13s/it]
955it [16:59, 1.15s/it]
956it [17:00, 1.16s/it]
957it [17:01, 1.16s/it]
958it [17:02, 1.16s/it]
959it [17:04, 1.15s/it]
960it [17:05, 1.15s/it]
961it [17:06, 1.15s/it]
962it [17:07, 1.14s/it]
963it [17:08, 1.13s/it]
964it [17:09, 1.13s/it]
965it [17:10, 1.13s/it]
966it [17:11, 1.12s/it]
967it [17:13, 1.12s/it]
968it [17:14, 1.12s/it]
969it [17:15, 1.11s/it]
970it [17:16, 1.10s/it]
971it [17:17, 1.10s/it]
972it [17:18, 1.10s/it]
973it [17:19, 1.10s/it]
974it [17:20, 1.10s/it]
975it [17:21, 1.10s/it]
976it [17:23, 1.11s/it]
977it [17:24, 1.10s/it]
978it [17:25, 1.10s/it]
979it [17:26, 1.11s/it]
980it [17:27, 1.12s/it]
981it [17:28, 1.13s/it]
982it [17:29, 1.13s/it]
983it [17:30, 1.13s/it]
984it [17:31, 1.12s/it]
985it [17:33, 1.11s/it]
986it [17:34, 1.11s/it]
987it [17:35, 1.11s/it]
988it [17:36, 1.11s/it]
989it [17:37, 1.10s/it]
990it [17:38, 1.10s/it]
991it [17:39, 1.10s/it]
992it [17:40, 1.10s/it]
993it [17:41, 1.10s/it]
994it [17:42, 1.10s/it]
995it [17:44, 1.10s/it]
996it [17:45, 1.10s/it]
997it [17:46, 1.11s/it]
998it [17:47, 1.11s/it]
999it [17:48, 1.11s/it]
1000it [17:49, 1.10s/it]
1000it [17:49, 1.07s/it] |
|
Enumerated peptides: |
|
Number of peptides: 1000000 |
|
Conversion errors: |
|
SMILES: 0 |
|
⏰ Completed process in 0:17:49.627659 |
|
0it [00:00, ?it/s]
1it [00:11, 11.66s/it]
2it [00:23, 11.55s/it]
3it [00:34, 11.52s/it]
4it [00:46, 11.54s/it]
5it [00:57, 11.47s/it]
6it [01:08, 11.41s/it]
7it [01:20, 11.42s/it]
8it [01:31, 11.47s/it]
9it [01:43, 11.48s/it]
10it [01:54, 11.49s/it]
11it [02:06, 11.53s/it]
12it [02:17, 11.52s/it]
13it [02:29, 11.54s/it]
14it [02:41, 11.56s/it]
15it [02:52, 11.57s/it]
16it [03:04, 11.53s/it]
17it [03:15, 11.52s/it]
18it [03:27, 11.56s/it]
19it [03:38, 11.59s/it]
20it [03:50, 11.56s/it]
21it [04:02, 11.56s/it]
22it [04:13, 11.52s/it]
23it [04:24, 11.48s/it]
24it [04:36, 11.48s/it]
25it [04:47, 11.49s/it]
26it [04:59, 11.51s/it]
27it [05:10, 11.50s/it]
28it [05:22, 11.45s/it]
29it [05:33, 11.42s/it]
30it [05:44, 11.42s/it]
31it [05:56, 11.45s/it]
32it [06:07, 11.43s/it]
33it [06:19, 11.41s/it]
34it [06:30, 11.43s/it]
35it [06:42, 11.50s/it]
36it [06:53, 11.49s/it]
37it [07:05, 11.54s/it]
38it [07:17, 11.53s/it]
39it [07:28, 11.48s/it]
40it [07:39, 11.43s/it]
41it [07:51, 11.44s/it]
42it [08:02, 11.48s/it]
43it [08:14, 11.48s/it]
44it [08:25, 11.44s/it]
45it [08:36, 11.36s/it]
46it [08:47, 11.30s/it]
47it [08:59, 11.29s/it]
48it [09:11, 11.45s/it]
49it [09:22, 11.48s/it]
50it [09:34, 11.54s/it]
51it [09:45, 11.51s/it]
52it [09:57, 11.51s/it]
53it [10:08, 11.55s/it]
54it [10:20, 11.59s/it]
55it [10:32, 11.61s/it]
56it [10:43, 11.52s/it]
57it [10:54, 11.50s/it]
58it [11:06, 11.48s/it]
59it [11:17, 11.49s/it]
60it [11:29, 11.58s/it]
61it [11:41, 11.69s/it]
62it [11:53, 11.69s/it]
63it [12:04, 11.68s/it]
64it [12:16, 11.60s/it]
65it [12:27, 11.53s/it]
66it [12:39, 11.72s/it]
67it [12:51, 11.73s/it]
68it [13:03, 11.69s/it]
69it [13:14, 11.60s/it]
70it [13:26, 11.56s/it]
71it [13:37, 11.61s/it]
72it [13:49, 11.71s/it]
73it [14:01, 11.70s/it]
74it [14:12, 11.63s/it]
75it [14:24, 11.57s/it]
76it [14:35, 11.55s/it]
77it [14:47, 11.64s/it]
78it [14:59, 11.63s/it]
79it [15:10, 11.54s/it]
80it [15:22, 11.51s/it]
81it [15:33, 11.47s/it]
82it [15:45, 11.52s/it]
83it [15:56, 11.58s/it]
84it [16:08, 11.67s/it]
85it [16:20, 11.71s/it]
86it [16:32, 11.74s/it]
87it [16:44, 11.88s/it]
88it [16:56, 11.89s/it]
89it [17:08, 11.89s/it]
90it [17:19, 11.75s/it]
91it [17:31, 11.66s/it]
92it [17:42, 11.60s/it]
93it [17:54, 11.61s/it]
94it [18:06, 11.64s/it]
95it [18:17, 11.67s/it]
96it [18:29, 11.62s/it]
97it [18:40, 11.59s/it]
98it [18:52, 11.58s/it]
99it [19:04, 11.61s/it]
100it [19:15, 11.65s/it]
101it [19:27, 11.68s/it]
102it [19:39, 11.63s/it]
103it [19:50, 11.56s/it]
104it [20:01, 11.55s/it]
105it [20:13, 11.57s/it]
106it [20:25, 11.64s/it]
107it [20:36, 11.63s/it]
108it [20:48, 11.63s/it]
109it [21:00, 11.59s/it]
110it [21:11, 11.59s/it]
111it [21:23, 11.60s/it]
112it [21:35, 11.62s/it]
113it [21:46, 11.63s/it]
114it [21:58, 11.57s/it]
115it [22:09, 11.54s/it]
116it [22:21, 11.55s/it]
117it [22:32, 11.57s/it]
118it [22:44, 11.60s/it]
119it [22:55, 11.57s/it]
120it [23:07, 11.56s/it]
121it [23:18, 11.55s/it]
122it [23:30, 11.57s/it]
123it [23:42, 11.58s/it]
124it [23:53, 11.56s/it]
125it [24:05, 11.55s/it]
126it [24:16, 11.51s/it]
127it [24:28, 11.51s/it]
128it [24:39, 11.51s/it]
129it [24:51, 11.54s/it]
130it [25:02, 11.52s/it]
131it [25:14, 11.52s/it]
132it [25:25, 11.52s/it]
133it [25:37, 11.56s/it]
134it [25:49, 11.58s/it]
135it [26:00, 11.60s/it]
136it [26:12, 11.59s/it]
137it [26:23, 11.60s/it]
138it [26:35, 11.60s/it]
139it [26:47, 11.60s/it]
140it [26:58, 11.61s/it]
141it [27:10, 11.63s/it]
142it [27:21, 11.60s/it]
143it [27:33, 11.57s/it]
144it [27:45, 11.59s/it]
145it [27:56, 11.60s/it]
146it [28:08, 11.59s/it]
147it [28:20, 11.66s/it]
148it [28:31, 11.69s/it]
149it [28:43, 11.66s/it]
150it [28:55, 11.64s/it]
151it [29:06, 11.57s/it]
152it [29:17, 11.56s/it]
153it [29:29, 11.58s/it]
154it [29:41, 11.57s/it]
155it [29:52, 11.57s/it]
156it [30:04, 11.53s/it]
157it [30:15, 11.52s/it]
158it [30:27, 11.52s/it]
159it [30:38, 11.52s/it]
160it [30:50, 11.48s/it]
161it [31:01, 11.48s/it]
162it [31:12, 11.44s/it]
163it [31:24, 11.45s/it]
164it [31:35, 11.46s/it]
165it [31:47, 11.49s/it]
166it [31:58, 11.46s/it]
167it [32:10, 11.45s/it]
168it [32:21, 11.42s/it]
169it [32:33, 11.42s/it]
170it [32:44, 11.45s/it]
171it [32:56, 11.47s/it]
172it [33:07, 11.46s/it]
173it [33:18, 11.44s/it]
174it [33:30, 11.42s/it]
175it [33:41, 11.44s/it]
176it [33:53, 11.47s/it]
177it [34:04, 11.45s/it]
178it [34:16, 11.41s/it]
179it [34:27, 11.34s/it]
180it [34:38, 11.43s/it]
181it [34:50, 11.52s/it]
182it [35:02, 11.54s/it]
183it [35:13, 11.57s/it]
184it [35:25, 11.53s/it]
185it [35:36, 11.49s/it]
186it [35:48, 11.47s/it]
187it [35:59, 11.53s/it]
188it [36:11, 11.56s/it]
189it [36:22, 11.53s/it]
190it [36:34, 11.46s/it]
191it [36:45, 11.42s/it]
192it [36:56, 11.38s/it]
193it [37:08, 11.44s/it]
194it [37:19, 11.46s/it]
195it [37:31, 11.42s/it]
196it [37:42, 11.38s/it]
197it [37:53, 11.36s/it]
198it [38:04, 11.32s/it]
199it [38:16, 11.40s/it]
200it [38:28, 11.45s/it]
201it [38:39, 11.42s/it]
202it [38:50, 11.38s/it]
203it [39:02, 11.36s/it]
204it [39:13, 11.35s/it]
205it [39:24, 11.38s/it]
206it [39:36, 11.44s/it]
207it [39:47, 11.47s/it]
208it [39:59, 11.42s/it]
209it [40:10, 11.39s/it]
210it [40:22, 11.40s/it]
211it [40:33, 11.43s/it]
212it [40:45, 11.50s/it]
213it [40:56, 11.47s/it]
214it [41:07, 11.44s/it]
215it [41:19, 11.42s/it]
216it [41:30, 11.39s/it]
217it [41:42, 11.55s/it]
218it [41:54, 11.59s/it]
219it [42:05, 11.57s/it]
220it [42:17, 11.55s/it]
221it [42:28, 11.51s/it]
222it [42:40, 11.52s/it]
223it [42:51, 11.54s/it]
224it [43:02, 11.37s/it]
225it [43:14, 11.37s/it]
226it [43:25, 11.43s/it]
227it [43:37, 11.54s/it]
228it [43:49, 11.57s/it]
229it [44:00, 11.58s/it]
230it [44:12, 11.56s/it]
231it [44:23, 11.47s/it]
232it [44:34, 11.40s/it]
233it [44:46, 11.39s/it]
234it [44:57, 11.39s/it]
235it [45:09, 11.42s/it]
236it [45:20, 11.41s/it]
237it [45:31, 11.41s/it]
238it [45:43, 11.42s/it]
239it [45:54, 11.40s/it]
240it [46:05, 11.39s/it]
241it [46:17, 11.47s/it]
242it [46:29, 11.45s/it]
243it [46:40, 11.43s/it]
244it [46:51, 11.37s/it]
245it [47:02, 11.35s/it]
246it [47:14, 11.40s/it]
247it [47:25, 11.41s/it]
248it [47:37, 11.42s/it]
249it [47:48, 11.39s/it]
250it [47:59, 11.34s/it]
251it [48:11, 11.33s/it]
252it [48:22, 11.29s/it]
253it [48:33, 11.25s/it]
254it [48:44, 11.25s/it]
255it [48:56, 11.25s/it]
256it [49:07, 11.20s/it]
257it [49:18, 11.22s/it]
258it [49:29, 11.26s/it]
259it [49:41, 11.32s/it]
260it [49:52, 11.38s/it]
261it [50:04, 11.43s/it]
262it [50:15, 11.45s/it]
263it [50:27, 11.48s/it]
264it [50:39, 11.55s/it]
265it [50:50, 11.58s/it]
266it [51:02, 11.59s/it]
267it [51:13, 11.57s/it]
268it [51:25, 11.55s/it]
269it [51:36, 11.52s/it]
270it [51:48, 11.56s/it]
271it [52:00, 11.62s/it]
272it [52:12, 11.69s/it]
273it [52:23, 11.74s/it]
274it [52:35, 11.68s/it]
275it [52:46, 11.62s/it]
276it [52:58, 11.58s/it]
277it [53:10, 11.61s/it]
278it [53:21, 11.61s/it]
279it [53:33, 11.59s/it]
280it [53:44, 11.60s/it]
281it [53:56, 11.57s/it]
282it [54:07, 11.58s/it]
283it [54:19, 11.61s/it]
284it [54:31, 11.59s/it]
285it [54:42, 11.55s/it]
286it [54:54, 11.60s/it]
287it [55:05, 11.60s/it]
288it [55:17, 11.65s/it]
289it [55:29, 11.62s/it]
290it [55:40, 11.57s/it]
291it [55:52, 11.60s/it]
292it [56:04, 11.65s/it]
293it [56:15, 11.68s/it]
294it [56:27, 11.72s/it]
295it [56:39, 11.71s/it]
296it [56:50, 11.67s/it]
297it [57:02, 11.64s/it]
298it [57:14, 11.64s/it]
299it [57:26, 11.72s/it]
300it [57:38, 11.82s/it]
301it [57:50, 11.84s/it]
302it [58:01, 11.77s/it]
303it [58:13, 11.74s/it]
304it [58:24, 11.66s/it]
305it [58:36, 11.61s/it]
306it [58:47, 11.60s/it]
307it [58:59, 11.56s/it]
308it [59:10, 11.55s/it]
309it [59:22, 11.55s/it]
310it [59:33, 11.53s/it]
311it [59:45, 11.50s/it]
312it [59:56, 11.40s/it]
313it [1:00:07, 11.34s/it]
314it [1:00:19, 11.57s/it]
315it [1:00:31, 11.55s/it]
316it [1:00:43, 11.66s/it]
317it [1:00:54, 11.67s/it]
318it [1:01:06, 11.67s/it]
319it [1:01:18, 11.66s/it]
320it [1:01:29, 11.67s/it]
321it [1:01:41, 11.68s/it]
322it [1:01:53, 11.65s/it]
323it [1:02:04, 11.62s/it]
324it [1:02:16, 11.62s/it]
325it [1:02:27, 11.60s/it]
326it [1:02:39, 11.62s/it]
327it [1:02:51, 11.62s/it]
328it [1:03:02, 11.55s/it]
329it [1:03:14, 11.50s/it]
330it [1:03:25, 11.49s/it]
331it [1:03:36, 11.49s/it]
332it [1:03:48, 11.51s/it]
333it [1:04:00, 11.51s/it]
334it [1:04:11, 11.49s/it]
335it [1:04:22, 11.40s/it]
336it [1:04:34, 11.43s/it]
337it [1:04:45, 11.45s/it]
338it [1:04:56, 11.40s/it]
339it [1:05:08, 11.43s/it]
340it [1:05:19, 11.45s/it]
341it [1:05:31, 11.42s/it]
342it [1:05:42, 11.37s/it]
343it [1:05:53, 11.33s/it]
344it [1:06:05, 11.31s/it]
345it [1:06:16, 11.35s/it]
346it [1:06:27, 11.37s/it]
347it [1:06:39, 11.39s/it]
348it [1:06:50, 11.38s/it]
349it [1:07:01, 11.31s/it]
350it [1:07:13, 11.27s/it]
351it [1:07:24, 11.23s/it]
352it [1:07:35, 11.27s/it]
353it [1:07:46, 11.24s/it]
354it [1:07:57, 11.18s/it]
355it [1:08:08, 11.12s/it]
356it [1:08:19, 11.16s/it]
357it [1:08:31, 11.12s/it]
358it [1:08:42, 11.13s/it]
359it [1:08:53, 11.16s/it]
360it [1:09:04, 11.13s/it]
361it [1:09:15, 11.09s/it]
362it [1:09:26, 11.07s/it]
363it [1:09:37, 11.11s/it]
364it [1:09:48, 11.16s/it]
365it [1:10:00, 11.16s/it]
366it [1:10:11, 11.17s/it]
367it [1:10:22, 11.14s/it]
368it [1:10:33, 11.10s/it]
369it [1:10:44, 11.10s/it]
370it [1:10:55, 11.15s/it]
371it [1:11:07, 11.21s/it]
372it [1:11:18, 11.32s/it]
373it [1:11:30, 11.36s/it]
374it [1:11:41, 11.29s/it]
375it [1:11:52, 11.27s/it]
376it [1:12:03, 11.22s/it]
377it [1:12:14, 11.23s/it]
378it [1:12:26, 11.27s/it]
379it [1:12:37, 11.37s/it]
380it [1:12:49, 11.40s/it]
381it [1:13:00, 11.35s/it]
382it [1:13:11, 11.31s/it]
383it [1:13:22, 11.27s/it]
384it [1:13:34, 11.26s/it]
385it [1:13:45, 11.29s/it]
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954it [3:01:25, 11.27s/it]
955it [3:01:36, 11.31s/it]
956it [3:01:48, 11.32s/it]
957it [3:01:59, 11.31s/it]
958it [3:02:10, 11.32s/it]
959it [3:02:22, 11.31s/it]
960it [3:02:33, 11.30s/it]
961it [3:02:44, 11.30s/it]
962it [3:02:56, 11.39s/it]
963it [3:03:07, 11.40s/it]
964it [3:03:19, 11.38s/it]
965it [3:03:30, 11.33s/it]
966it [3:03:41, 11.31s/it]
967it [3:03:53, 11.33s/it]
968it [3:04:04, 11.31s/it]
969it [3:04:15, 11.31s/it]
970it [3:04:26, 11.26s/it]
971it [3:04:37, 11.24s/it]
972it [3:04:49, 11.25s/it]
973it [3:05:00, 11.24s/it]
974it [3:05:11, 11.24s/it]
975it [3:05:22, 11.24s/it]
976it [3:05:34, 11.25s/it]
977it [3:05:45, 11.25s/it]
978it [3:05:56, 11.23s/it]
979it [3:06:07, 11.24s/it]
980it [3:06:19, 11.25s/it]
981it [3:06:30, 11.34s/it]
982it [3:06:42, 11.35s/it]
983it [3:06:53, 11.36s/it]
984it [3:07:04, 11.36s/it]
985it [3:07:16, 11.36s/it]
986it [3:07:27, 11.38s/it]
987it [3:07:38, 11.36s/it]
988it [3:07:50, 11.35s/it]
989it [3:08:01, 11.36s/it]
990it [3:08:12, 11.35s/it]
991it [3:08:24, 11.35s/it]
992it [3:08:35, 11.34s/it]
993it [3:08:46, 11.32s/it]
994it [3:08:58, 11.33s/it]
995it [3:09:09, 11.37s/it]
996it [3:09:21, 11.37s/it]
997it [3:09:32, 11.34s/it]
998it [3:09:43, 11.33s/it]
999it [3:09:55, 11.35s/it]
1000it [3:10:06, 11.32s/it]
1000it [3:10:06, 11.41s/it] |
|
Error counts: |
|
linear_id: 0 |
|
linear_inchikey: 0 |
|
linear_scaffold: 0 |
|
linear_mwt: 0 |
|
linear_clogp: 0 |
|
linear_tpsa: 0 |
|
⏰ Completed process in 3:27:56.620416 |
|
0it [00:00, ?it/s]
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774it [1:54:59, 8.82s/it]
775it [1:55:08, 8.82s/it]
776it [1:55:17, 8.79s/it]
777it [1:55:25, 8.79s/it]
778it [1:55:34, 8.79s/it]
779it [1:55:43, 8.81s/it]
780it [1:55:52, 8.82s/it]
781it [1:56:01, 8.89s/it]
782it [1:56:10, 8.88s/it]
783it [1:56:19, 8.92s/it]
784it [1:56:28, 8.89s/it]
785it [1:56:36, 8.87s/it]
786it [1:56:45, 8.89s/it]
787it [1:56:54, 8.87s/it]
788it [1:57:03, 8.85s/it]
789it [1:57:12, 8.89s/it]
790it [1:57:21, 8.93s/it]
791it [1:57:30, 8.92s/it]
792it [1:57:39, 8.94s/it]
793it [1:57:48, 8.93s/it]
794it [1:57:57, 8.94s/it]
795it [1:58:06, 8.92s/it]
796it [1:58:15, 8.95s/it]
797it [1:58:24, 8.93s/it]
798it [1:58:33, 8.97s/it]
799it [1:58:42, 8.99s/it]
800it [1:58:51, 9.01s/it]
801it [1:59:00, 8.99s/it]
802it [1:59:09, 8.96s/it]
803it [1:59:17, 8.94s/it]
804it [1:59:26, 8.88s/it]
805it [1:59:35, 8.85s/it]
806it [1:59:44, 8.82s/it]
807it [1:59:53, 8.82s/it]
808it [2:00:01, 8.82s/it]
809it [2:00:10, 8.83s/it]
810it [2:00:19, 8.87s/it]
811it [2:00:28, 8.84s/it]
812it [2:00:37, 8.84s/it]
813it [2:00:45, 8.80s/it]
814it [2:00:55, 8.88s/it]
815it [2:01:03, 8.87s/it]
816it [2:01:12, 8.90s/it]
817it [2:01:22, 9.03s/it]
818it [2:01:31, 9.07s/it]
819it [2:01:40, 9.09s/it]
820it [2:01:49, 9.10s/it]
821it [2:01:58, 9.11s/it]
822it [2:02:08, 9.23s/it]
823it [2:02:17, 9.26s/it]
824it [2:02:26, 9.22s/it]
825it [2:02:35, 9.17s/it]
826it [2:02:44, 9.15s/it]
827it [2:02:53, 9.14s/it]
828it [2:03:03, 9.13s/it]
829it [2:03:12, 9.13s/it]
830it [2:03:21, 9.17s/it]
831it [2:03:30, 9.11s/it]
832it [2:03:39, 9.12s/it]
833it [2:03:48, 9.09s/it]
834it [2:03:57, 9.10s/it]
835it [2:04:06, 9.10s/it]
836it [2:04:16, 9.11s/it]
837it [2:04:25, 9.12s/it]
838it [2:04:34, 9.17s/it]
839it [2:04:43, 9.22s/it]
840it [2:04:52, 9.22s/it]
841it [2:05:02, 9.25s/it]
842it [2:05:11, 9.28s/it]
843it [2:05:20, 9.27s/it]
844it [2:05:29, 9.20s/it]
845it [2:05:39, 9.25s/it]
846it [2:05:48, 9.17s/it]
847it [2:05:57, 9.11s/it]
848it [2:06:06, 9.10s/it]
849it [2:06:15, 9.09s/it]
850it [2:06:24, 9.06s/it]
851it [2:06:33, 9.05s/it]
852it [2:06:42, 9.05s/it]
853it [2:06:51, 9.01s/it]
854it [2:07:00, 9.04s/it]
855it [2:07:09, 9.01s/it]
856it [2:07:18, 9.02s/it]
857it [2:07:27, 9.09s/it]
858it [2:07:36, 9.04s/it]
859it [2:07:45, 8.95s/it]
860it [2:07:54, 8.90s/it]
861it [2:08:03, 8.89s/it]
862it [2:08:11, 8.89s/it]
863it [2:08:20, 8.88s/it]
864it [2:08:29, 8.86s/it]
865it [2:08:38, 8.87s/it]
866it [2:08:47, 8.86s/it]
867it [2:08:56, 8.87s/it]
868it [2:09:05, 8.89s/it]
869it [2:09:14, 8.94s/it]
870it [2:09:23, 8.95s/it]
871it [2:09:32, 8.93s/it]
872it [2:09:40, 8.91s/it]
873it [2:09:49, 8.91s/it]
874it [2:09:58, 8.96s/it]
875it [2:10:07, 8.94s/it]
876it [2:10:16, 8.93s/it]
877it [2:10:25, 8.94s/it]
878it [2:10:34, 8.89s/it]
879it [2:10:43, 8.93s/it]
880it [2:10:52, 8.89s/it]
881it [2:11:01, 8.85s/it]
882it [2:11:09, 8.85s/it]
883it [2:11:18, 8.84s/it]
884it [2:11:27, 8.84s/it]
885it [2:11:36, 8.85s/it]
886it [2:11:45, 8.84s/it]
887it [2:11:54, 8.86s/it]
888it [2:12:03, 8.93s/it]
889it [2:12:12, 8.94s/it]
890it [2:12:21, 8.93s/it]
891it [2:12:29, 8.88s/it]
892it [2:12:38, 8.84s/it]
893it [2:12:47, 8.83s/it]
894it [2:12:56, 8.82s/it]
895it [2:13:05, 8.82s/it]
896it [2:13:13, 8.80s/it]
897it [2:13:22, 8.80s/it]
898it [2:13:31, 8.79s/it]
899it [2:13:40, 8.81s/it]
900it [2:13:48, 8.79s/it]
901it [2:13:57, 8.81s/it]
902it [2:14:06, 8.85s/it]
903it [2:14:15, 8.88s/it]
904it [2:14:24, 8.90s/it]
905it [2:14:33, 8.84s/it]
906it [2:14:42, 8.81s/it]
907it [2:14:50, 8.76s/it]
908it [2:14:59, 8.69s/it]
909it [2:15:07, 8.68s/it]
910it [2:15:16, 8.67s/it]
911it [2:15:25, 8.70s/it]
912it [2:15:34, 8.71s/it]
913it [2:15:42, 8.72s/it]
914it [2:15:51, 8.75s/it]
915it [2:16:00, 8.80s/it]
916it [2:16:09, 8.85s/it]
917it [2:16:18, 8.81s/it]
918it [2:16:27, 8.83s/it]
919it [2:16:35, 8.83s/it]
920it [2:16:44, 8.82s/it]
921it [2:16:53, 8.81s/it]
922it [2:17:02, 8.80s/it]
923it [2:17:10, 8.75s/it]
924it [2:17:19, 8.80s/it]
925it [2:17:28, 8.79s/it]
926it [2:17:37, 8.78s/it]
927it [2:17:46, 8.80s/it]
928it [2:17:54, 8.78s/it]
929it [2:18:03, 8.77s/it]
930it [2:18:12, 8.78s/it]
931it [2:18:21, 8.79s/it]
932it [2:18:30, 8.86s/it]
933it [2:18:39, 8.91s/it]
934it [2:18:48, 8.90s/it]
935it [2:18:57, 8.87s/it]
936it [2:19:05, 8.86s/it]
937it [2:19:14, 8.82s/it]
938it [2:19:23, 8.82s/it]
939it [2:19:32, 8.80s/it]
940it [2:19:40, 8.79s/it]
941it [2:19:49, 8.77s/it]
942it [2:19:58, 8.77s/it]
943it [2:20:07, 8.77s/it]
944it [2:20:15, 8.77s/it]
945it [2:20:24, 8.75s/it]
946it [2:20:33, 8.75s/it]
947it [2:20:42, 8.78s/it]
948it [2:20:51, 8.91s/it]
949it [2:21:00, 9.01s/it]
950it [2:21:10, 9.12s/it]
951it [2:21:19, 9.18s/it]
952it [2:21:28, 9.23s/it]
953it [2:21:38, 9.23s/it]
954it [2:21:47, 9.24s/it]
955it [2:21:56, 9.26s/it]
956it [2:22:05, 9.21s/it]
957it [2:22:14, 9.22s/it]
958it [2:22:24, 9.23s/it]
959it [2:22:33, 9.23s/it]
960it [2:22:42, 9.21s/it]
961it [2:22:51, 9.22s/it]
962it [2:23:01, 9.23s/it]
963it [2:23:10, 9.23s/it]
964it [2:23:19, 9.20s/it]
965it [2:23:28, 9.21s/it]
966it [2:23:37, 9.21s/it]
967it [2:23:47, 9.24s/it]
968it [2:23:56, 9.20s/it]
969it [2:24:05, 9.20s/it]
970it [2:24:14, 9.17s/it]
971it [2:24:23, 9.17s/it]
972it [2:24:32, 9.13s/it]
973it [2:24:42, 9.16s/it]
974it [2:24:51, 9.18s/it]
975it [2:25:00, 9.18s/it]
976it [2:25:09, 9.14s/it]
977it [2:25:18, 9.14s/it]
978it [2:25:27, 9.14s/it]
979it [2:25:36, 9.14s/it]
980it [2:25:46, 9.15s/it]
981it [2:25:55, 9.16s/it]
982it [2:26:04, 9.16s/it]
983it [2:26:13, 9.17s/it]
984it [2:26:22, 9.16s/it]
985it [2:26:31, 9.18s/it]
986it [2:26:41, 9.17s/it]
987it [2:26:50, 9.23s/it]
988it [2:26:59, 9.26s/it]
989it [2:27:09, 9.26s/it]
990it [2:27:18, 9.32s/it]
991it [2:27:27, 9.34s/it]
992it [2:27:37, 9.28s/it]
993it [2:27:46, 9.22s/it]
994it [2:27:55, 9.20s/it]
995it [2:28:04, 9.18s/it]
996it [2:28:13, 9.16s/it]
997it [2:28:22, 9.14s/it]
998it [2:28:31, 9.09s/it]
999it [2:28:40, 9.05s/it]
1000it [2:28:49, 8.98s/it]
1000it [2:28:49, 8.93s/it] |
|
Error counts: |
|
cysteine_to_N_cyclization: 0 |
|
⏰ Completed process in 5:56:46.806938 |
|
0it [00:00, ?it/s]
1it [00:11, 11.06s/it]
2it [00:22, 11.07s/it]
3it [00:33, 11.02s/it]
4it [00:44, 11.05s/it]
5it [00:55, 11.07s/it]
6it [01:06, 11.04s/it]
7it [01:17, 11.04s/it]
8it [01:28, 11.01s/it]
9it [01:39, 10.99s/it]
10it [01:50, 10.96s/it]
11it [02:01, 10.95s/it]
12it [02:11, 10.94s/it]
13it [02:22, 10.94s/it]
14it [02:33, 10.95s/it]
15it [02:44, 10.96s/it]
16it [02:55, 10.94s/it]
17it [03:06, 10.97s/it]
18it [03:17, 11.02s/it]
19it [03:29, 11.10s/it]
20it [03:40, 11.14s/it]
21it [03:51, 11.16s/it]
22it [04:02, 11.17s/it]
23it [04:14, 11.18s/it]
24it [04:25, 11.16s/it]
25it [04:36, 11.17s/it]
26it [04:47, 11.20s/it]
27it [04:58, 11.19s/it]
28it [05:09, 11.17s/it]
29it [05:20, 11.12s/it]
30it [05:31, 11.04s/it]
31it [05:42, 11.01s/it]
32it [05:53, 11.00s/it]
33it [06:04, 11.04s/it]
34it [06:15, 11.06s/it]
35it [06:27, 11.10s/it]
36it [06:38, 11.09s/it]
37it [06:49, 11.08s/it]
38it [07:00, 11.11s/it]
39it [07:11, 11.09s/it]
40it [07:22, 11.08s/it]
41it [07:33, 11.10s/it]
42it [07:44, 11.09s/it]
43it [07:55, 11.09s/it]
44it [08:06, 11.10s/it]
45it [08:17, 11.07s/it]
46it [08:28, 11.05s/it]
47it [08:39, 11.04s/it]
48it [08:51, 11.07s/it]
49it [09:02, 11.08s/it]
50it [09:13, 11.08s/it]
51it [09:24, 11.12s/it]
52it [09:35, 11.12s/it]
53it [09:46, 11.16s/it]
54it [09:58, 11.16s/it]
55it [10:09, 11.14s/it]
56it [10:20, 11.13s/it]
57it [10:31, 11.14s/it]
58it [10:42, 11.16s/it]
59it [10:53, 11.16s/it]
60it [11:04, 11.16s/it]
61it [11:16, 11.16s/it]
62it [11:27, 11.17s/it]
63it [11:38, 11.17s/it]
64it [11:49, 11.17s/it]
65it [12:00, 11.14s/it]
66it [12:11, 11.11s/it]
67it [12:22, 11.12s/it]
68it [12:34, 11.15s/it]
69it [12:45, 11.14s/it]
70it [12:56, 11.16s/it]
71it [13:07, 11.19s/it]
72it [13:18, 11.18s/it]
73it [13:29, 11.16s/it]
74it [13:41, 11.16s/it]
75it [13:52, 11.15s/it]
76it [14:03, 11.14s/it]
77it [14:14, 11.14s/it]
78it [14:25, 11.13s/it]
79it [14:36, 11.11s/it]
80it [14:47, 11.12s/it]
81it [14:58, 11.13s/it]
82it [15:10, 11.13s/it]
83it [15:21, 11.14s/it]
84it [15:32, 11.13s/it]
85it [15:43, 11.11s/it]
86it [15:54, 11.09s/it]
87it [16:05, 11.06s/it]
88it [16:16, 11.05s/it]
89it [16:27, 11.07s/it]
90it [16:38, 11.04s/it]
91it [16:49, 11.04s/it]
92it [17:00, 11.05s/it]
93it [17:11, 11.06s/it]
94it [17:22, 11.05s/it]
95it [17:33, 11.05s/it]
96it [17:44, 11.06s/it]
97it [17:55, 11.03s/it]
98it [18:06, 11.03s/it]
99it [18:17, 11.05s/it]
100it [18:29, 11.05s/it]
101it [18:40, 11.08s/it]
102it [18:51, 11.08s/it]
103it [19:02, 11.04s/it]
104it [19:13, 11.05s/it]
105it [19:24, 11.04s/it]
106it [19:35, 11.01s/it]
107it [19:46, 11.04s/it]
108it [19:57, 11.08s/it]
109it [20:08, 11.08s/it]
110it [20:19, 11.09s/it]
111it [20:30, 11.10s/it]
112it [20:42, 11.13s/it]
113it [20:53, 11.16s/it]
114it [21:04, 11.16s/it]
115it [21:15, 11.15s/it]
116it [21:26, 11.13s/it]
117it [21:38, 11.19s/it]
118it [21:49, 11.21s/it]
119it [22:00, 11.22s/it]
120it [22:11, 11.24s/it]
121it [22:22, 11.21s/it]
122it [22:33, 11.16s/it]
123it [22:44, 11.09s/it]
124it [22:55, 11.04s/it]
125it [23:06, 10.97s/it]
126it [23:17, 10.94s/it]
127it [23:28, 10.91s/it]
128it [23:39, 10.89s/it]
129it [23:50, 10.93s/it]
130it [24:01, 10.95s/it]
131it [24:12, 10.97s/it]
132it [24:23, 10.99s/it]
133it [24:34, 11.00s/it]
134it [24:45, 10.98s/it]
135it [24:56, 11.00s/it]
136it [25:07, 10.99s/it]
137it [25:18, 11.01s/it]
138it [25:29, 11.00s/it]
139it [25:40, 11.02s/it]
140it [25:51, 11.01s/it]
141it [26:02, 11.00s/it]
142it [26:13, 11.00s/it]
143it [26:24, 11.05s/it]
144it [26:35, 11.09s/it]
145it [26:46, 11.09s/it]
146it [26:57, 11.11s/it]
147it [27:09, 11.12s/it]
148it [27:20, 11.16s/it]
149it [27:31, 11.26s/it]
150it [27:43, 11.27s/it]
151it [27:54, 11.31s/it]
152it [28:05, 11.34s/it]
153it [28:17, 11.27s/it]
154it [28:28, 11.25s/it]
155it [28:39, 11.20s/it]
156it [28:50, 11.21s/it]
157it [29:01, 11.22s/it]
158it [29:13, 11.23s/it]
159it [29:24, 11.20s/it]
160it [29:35, 11.18s/it]
161it [29:46, 11.20s/it]
162it [29:57, 11.20s/it]
163it [30:08, 11.18s/it]
164it [30:20, 11.17s/it]
165it [30:31, 11.15s/it]
166it [30:42, 11.12s/it]
167it [30:53, 11.13s/it]
168it [31:04, 11.12s/it]
169it [31:15, 11.17s/it]
170it [31:26, 11.20s/it]
171it [31:38, 11.23s/it]
172it [31:49, 11.29s/it]
173it [32:01, 11.32s/it]
174it [32:12, 11.31s/it]
175it [32:23, 11.29s/it]
176it [32:34, 11.27s/it]
177it [32:46, 11.25s/it]
178it [32:57, 11.26s/it]
179it [33:08, 11.25s/it]
180it [33:19, 11.18s/it]
181it [33:30, 11.13s/it]
182it [33:41, 11.09s/it]
183it [33:52, 11.10s/it]
184it [34:03, 11.12s/it]
185it [34:15, 11.12s/it]
186it [34:26, 11.13s/it]
187it [34:37, 11.11s/it]
188it [34:48, 11.11s/it]
189it [34:59, 11.10s/it]
190it [35:10, 11.06s/it]
191it [35:21, 11.07s/it]
192it [35:32, 11.08s/it]
193it [35:43, 11.08s/it]
194it [35:54, 11.05s/it]
195it [36:05, 11.01s/it]
196it [36:16, 11.01s/it]
197it [36:27, 11.00s/it]
198it [36:38, 11.02s/it]
199it [36:49, 11.03s/it]
200it [37:00, 11.06s/it]
201it [37:11, 11.10s/it]
202it [37:22, 11.08s/it]
203it [37:33, 11.05s/it]
204it [37:44, 11.01s/it]
205it [37:55, 10.99s/it]
206it [38:06, 11.02s/it]
207it [38:17, 11.03s/it]
208it [38:29, 11.06s/it]
209it [38:40, 11.07s/it]
210it [38:51, 11.08s/it]
211it [39:02, 11.06s/it]
212it [39:13, 11.05s/it]
213it [39:24, 11.09s/it]
214it [39:35, 11.11s/it]
215it [39:46, 11.11s/it]
216it [39:57, 11.08s/it]
217it [40:08, 11.11s/it]
218it [40:20, 11.11s/it]
219it [40:31, 11.16s/it]
220it [40:42, 11.18s/it]
221it [40:53, 11.14s/it]
222it [41:04, 11.18s/it]
223it [41:15, 11.15s/it]
224it [41:27, 11.14s/it]
225it [41:38, 11.12s/it]
226it [41:49, 11.14s/it]
227it [42:00, 11.15s/it]
228it [42:11, 11.15s/it]
229it [42:22, 11.18s/it]
230it [42:34, 11.14s/it]
231it [42:45, 11.10s/it]
232it [42:56, 11.09s/it]
233it [43:07, 11.09s/it]
234it [43:18, 11.10s/it]
235it [43:29, 11.10s/it]
236it [43:40, 11.08s/it]
237it [43:51, 11.08s/it]
238it [44:02, 11.12s/it]
239it [44:13, 11.09s/it]
240it [44:24, 11.06s/it]
241it [44:35, 11.06s/it]
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705it [2:08:49, 10.67s/it]
706it [2:09:00, 10.68s/it]
707it [2:09:10, 10.66s/it]
708it [2:09:21, 10.66s/it]
709it [2:09:32, 10.69s/it]
710it [2:09:42, 10.68s/it]
711it [2:09:53, 10.69s/it]
712it [2:10:04, 10.70s/it]
713it [2:10:15, 10.70s/it]
714it [2:10:25, 10.70s/it]
715it [2:10:36, 10.69s/it]
716it [2:10:47, 10.68s/it]
717it [2:10:57, 10.68s/it]
718it [2:11:08, 10.69s/it]
719it [2:11:19, 10.72s/it]
720it [2:11:30, 10.73s/it]
721it [2:11:40, 10.72s/it]
722it [2:11:51, 10.71s/it]
723it [2:12:02, 10.72s/it]
724it [2:12:12, 10.70s/it]
725it [2:12:23, 10.70s/it]
726it [2:12:34, 10.71s/it]
727it [2:12:45, 10.71s/it]
728it [2:12:55, 10.70s/it]
729it [2:13:06, 10.72s/it]
730it [2:13:17, 10.72s/it]
731it [2:13:27, 10.71s/it]
732it [2:13:38, 10.71s/it]
733it [2:13:49, 10.69s/it]
734it [2:13:59, 10.69s/it]
735it [2:14:10, 10.70s/it]
736it [2:14:21, 10.68s/it]
737it [2:14:31, 10.67s/it]
738it [2:14:42, 10.68s/it]
739it [2:14:53, 10.69s/it]
740it [2:15:04, 10.70s/it]
741it [2:15:14, 10.71s/it]
742it [2:15:25, 10.70s/it]
743it [2:15:36, 10.70s/it]
744it [2:15:46, 10.71s/it]
745it [2:15:57, 10.65s/it]
746it [2:16:08, 10.66s/it]
747it [2:16:18, 10.66s/it]
748it [2:16:29, 10.65s/it]
749it [2:16:40, 10.67s/it]
750it [2:16:50, 10.68s/it]
751it [2:17:01, 10.67s/it]
752it [2:17:12, 10.74s/it]
753it [2:17:23, 10.72s/it]
754it [2:17:33, 10.71s/it]
755it [2:17:44, 10.70s/it]
756it [2:17:55, 10.67s/it]
757it [2:18:05, 10.68s/it]
758it [2:18:16, 10.67s/it]
759it [2:18:26, 10.66s/it]
760it [2:18:37, 10.67s/it]
761it [2:18:48, 10.68s/it]
762it [2:18:59, 10.69s/it]
763it [2:19:09, 10.67s/it]
764it [2:19:20, 10.68s/it]
765it [2:19:31, 10.68s/it]
766it [2:19:41, 10.66s/it]
767it [2:19:52, 10.64s/it]
768it [2:20:02, 10.60s/it]
769it [2:20:13, 10.61s/it]
770it [2:20:24, 10.61s/it]
771it [2:20:34, 10.59s/it]
772it [2:20:45, 10.60s/it]
773it [2:20:55, 10.62s/it]
774it [2:21:06, 10.63s/it]
775it [2:21:17, 10.59s/it]
776it [2:21:27, 10.57s/it]
777it [2:21:38, 10.56s/it]
778it [2:21:48, 10.57s/it]
779it [2:21:59, 10.61s/it]
780it [2:22:10, 10.63s/it]
781it [2:22:20, 10.66s/it]
782it [2:22:31, 10.68s/it]
783it [2:22:42, 10.68s/it]
784it [2:22:52, 10.67s/it]
785it [2:23:03, 10.65s/it]
786it [2:23:14, 10.65s/it]
787it [2:23:24, 10.65s/it]
788it [2:23:35, 10.66s/it]
789it [2:23:46, 10.67s/it]
790it [2:23:56, 10.65s/it]
791it [2:24:07, 10.62s/it]
792it [2:24:17, 10.61s/it]
793it [2:24:28, 10.61s/it]
794it [2:24:39, 10.63s/it]
795it [2:24:49, 10.65s/it]
796it [2:25:00, 10.66s/it]
797it [2:25:11, 10.66s/it]
798it [2:25:21, 10.65s/it]
799it [2:25:32, 10.64s/it]
800it [2:25:43, 10.64s/it]
801it [2:25:53, 10.67s/it]
802it [2:26:04, 10.68s/it]
803it [2:26:15, 10.68s/it]
804it [2:26:25, 10.66s/it]
805it [2:26:36, 10.68s/it]
806it [2:26:47, 10.71s/it]
807it [2:26:57, 10.68s/it]
808it [2:27:08, 10.69s/it]
809it [2:27:19, 10.69s/it]
810it [2:27:29, 10.66s/it]
811it [2:27:40, 10.67s/it]
812it [2:27:51, 10.70s/it]
813it [2:28:02, 10.70s/it]
814it [2:28:12, 10.70s/it]
815it [2:28:23, 10.71s/it]
816it [2:28:34, 10.69s/it]
817it [2:28:44, 10.69s/it]
818it [2:28:55, 10.67s/it]
819it [2:29:06, 10.66s/it]
820it [2:29:16, 10.67s/it]
821it [2:29:27, 10.65s/it]
822it [2:29:38, 10.65s/it]
823it [2:29:48, 10.67s/it]
824it [2:29:59, 10.66s/it]
825it [2:30:10, 10.66s/it]
826it [2:30:20, 10.67s/it]
827it [2:30:31, 10.67s/it]
828it [2:30:42, 10.70s/it]
829it [2:30:53, 10.74s/it]
830it [2:31:03, 10.73s/it]
831it [2:31:14, 10.70s/it]
832it [2:31:25, 10.71s/it]
833it [2:31:35, 10.68s/it]
834it [2:31:46, 10.70s/it]
835it [2:31:57, 10.74s/it]
836it [2:32:08, 10.72s/it]
837it [2:32:18, 10.73s/it]
838it [2:32:29, 10.74s/it]
839it [2:32:40, 10.73s/it]
840it [2:32:50, 10.73s/it]
841it [2:33:01, 10.76s/it]
842it [2:33:12, 10.75s/it]
843it [2:33:23, 10.80s/it]
844it [2:33:34, 10.80s/it]
845it [2:33:45, 10.80s/it]
846it [2:33:55, 10.80s/it]
847it [2:34:06, 10.80s/it]
848it [2:34:17, 10.78s/it]
849it [2:34:28, 10.81s/it]
850it [2:34:38, 10.77s/it]
851it [2:34:49, 10.78s/it]
852it [2:35:00, 10.78s/it]
853it [2:35:11, 10.77s/it]
854it [2:35:21, 10.74s/it]
855it [2:35:32, 10.73s/it]
856it [2:35:43, 10.74s/it]
857it [2:35:54, 10.71s/it]
858it [2:36:04, 10.75s/it]
859it [2:36:15, 10.74s/it]
860it [2:36:26, 10.74s/it]
861it [2:36:37, 10.73s/it]
862it [2:36:47, 10.72s/it]
863it [2:36:58, 10.71s/it]
864it [2:37:09, 10.68s/it]
865it [2:37:19, 10.68s/it]
866it [2:37:30, 10.70s/it]
867it [2:37:41, 10.71s/it]
868it [2:37:51, 10.72s/it]
869it [2:38:02, 10.72s/it]
870it [2:38:13, 10.73s/it]
871it [2:38:24, 10.74s/it]
872it [2:38:34, 10.71s/it]
873it [2:38:45, 10.69s/it]
874it [2:38:56, 10.69s/it]
875it [2:39:06, 10.68s/it]
876it [2:39:17, 10.69s/it]
877it [2:39:28, 10.71s/it]
878it [2:39:38, 10.69s/it]
879it [2:39:49, 10.67s/it]
880it [2:40:00, 10.68s/it]
881it [2:40:10, 10.67s/it]
882it [2:40:21, 10.68s/it]
883it [2:40:32, 10.67s/it]
884it [2:40:42, 10.66s/it]
885it [2:40:53, 10.68s/it]
886it [2:41:04, 10.69s/it]
887it [2:41:15, 10.68s/it]
888it [2:41:25, 10.67s/it]
889it [2:41:36, 10.67s/it]
890it [2:41:46, 10.66s/it]
891it [2:41:57, 10.66s/it]
892it [2:42:08, 10.65s/it]
893it [2:42:18, 10.64s/it]
894it [2:42:29, 10.66s/it]
895it [2:42:40, 10.65s/it]
896it [2:42:50, 10.62s/it]
897it [2:43:01, 10.63s/it]
898it [2:43:12, 10.62s/it]
899it [2:43:22, 10.62s/it]
900it [2:43:33, 10.61s/it]
901it [2:43:43, 10.62s/it]
902it [2:43:54, 10.64s/it]
903it [2:44:05, 10.66s/it]
904it [2:44:15, 10.67s/it]
905it [2:44:26, 10.65s/it]
906it [2:44:37, 10.69s/it]
907it [2:44:47, 10.66s/it]
908it [2:44:58, 10.65s/it]
909it [2:45:09, 10.66s/it]
910it [2:45:19, 10.67s/it]
911it [2:45:30, 10.66s/it]
912it [2:45:41, 10.63s/it]
913it [2:45:51, 10.61s/it]
914it [2:46:02, 10.59s/it]
915it [2:46:12, 10.56s/it]
916it [2:46:23, 10.53s/it]
917it [2:46:33, 10.52s/it]
918it [2:46:44, 10.52s/it]
919it [2:46:54, 10.52s/it]
920it [2:47:05, 10.49s/it]
921it [2:47:15, 10.46s/it]
922it [2:47:25, 10.46s/it]
923it [2:47:36, 10.44s/it]
924it [2:47:46, 10.44s/it]
925it [2:47:57, 10.45s/it]
926it [2:48:07, 10.45s/it]
927it [2:48:18, 10.43s/it]
928it [2:48:28, 10.38s/it]
929it [2:48:38, 10.37s/it]
930it [2:48:49, 10.38s/it]
931it [2:48:59, 10.37s/it]
932it [2:49:09, 10.37s/it]
933it [2:49:20, 10.40s/it]
934it [2:49:30, 10.42s/it]
935it [2:49:41, 10.47s/it]
936it [2:49:51, 10.51s/it]
937it [2:50:02, 10.56s/it]
938it [2:50:13, 10.60s/it]
939it [2:50:23, 10.57s/it]
940it [2:50:34, 10.54s/it]
941it [2:50:44, 10.53s/it]
942it [2:50:55, 10.55s/it]
943it [2:51:05, 10.50s/it]
944it [2:51:16, 10.49s/it]
945it [2:51:26, 10.56s/it]
946it [2:51:37, 10.56s/it]
947it [2:51:48, 10.56s/it]
948it [2:51:58, 10.57s/it]
949it [2:52:09, 10.55s/it]
950it [2:52:19, 10.59s/it]
951it [2:52:30, 10.57s/it]
952it [2:52:40, 10.55s/it]
953it [2:52:51, 10.53s/it]
954it [2:53:01, 10.53s/it]
955it [2:53:12, 10.53s/it]
956it [2:53:22, 10.50s/it]
957it [2:53:33, 10.49s/it]
958it [2:53:43, 10.48s/it]
959it [2:53:54, 10.48s/it]
960it [2:54:04, 10.47s/it]
961it [2:54:15, 10.51s/it]
962it [2:54:25, 10.51s/it]
963it [2:54:36, 10.49s/it]
964it [2:54:46, 10.50s/it]
965it [2:54:57, 10.48s/it]
966it [2:55:07, 10.47s/it]
967it [2:55:18, 10.50s/it]
968it [2:55:28, 10.47s/it]
969it [2:55:39, 10.49s/it]
970it [2:55:49, 10.47s/it]
971it [2:56:00, 10.52s/it]
972it [2:56:10, 10.52s/it]
973it [2:56:21, 10.50s/it]
974it [2:56:31, 10.49s/it]
975it [2:56:42, 10.48s/it]
976it [2:56:52, 10.49s/it]
977it [2:57:03, 10.59s/it]
978it [2:57:14, 10.64s/it]
979it [2:57:24, 10.61s/it]
980it [2:57:35, 10.65s/it]
981it [2:57:46, 10.69s/it]
982it [2:57:56, 10.64s/it]
983it [2:58:07, 10.57s/it]
984it [2:58:17, 10.53s/it]
985it [2:58:28, 10.51s/it]
986it [2:58:38, 10.51s/it]
987it [2:58:49, 10.49s/it]
988it [2:58:59, 10.47s/it]
989it [2:59:10, 10.49s/it]
990it [2:59:20, 10.48s/it]
991it [2:59:31, 10.48s/it]
992it [2:59:41, 10.47s/it]
993it [2:59:51, 10.44s/it]
994it [3:00:02, 10.44s/it]
995it [3:00:12, 10.45s/it]
996it [3:00:23, 10.44s/it]
997it [3:00:33, 10.44s/it]
998it [3:00:44, 10.45s/it]
999it [3:00:54, 10.47s/it]
1000it [3:01:05, 10.46s/it]
1000it [3:01:05, 10.87s/it] |
|
Error counts: |
|
cyclic_id: 0 |
|
cyclic_inchikey: 0 |
|
cyclic_scaffold: 0 |
|
cyclic_mwt: 0 |
|
cyclic_clogp: 0 |
|
cyclic_tpsa: 0 |
|
⏰ Completed process in 8:57:53.020783 |
|
0it [00:00, ?it/s]
1it [00:00, 8.12it/s]
2it [00:00, 8.64it/s]
3it [00:00, 9.03it/s]
4it [00:00, 9.19it/s]
5it [00:00, 9.30it/s]
6it [00:00, 9.36it/s]
7it [00:00, 9.36it/s]
8it [00:00, 9.38it/s]
9it [00:00, 9.43it/s]
10it [00:01, 9.45it/s]
11it [00:01, 9.47it/s]
12it [00:01, 9.47it/s]
13it [00:01, 9.46it/s]
14it [00:01, 9.40it/s]
15it [00:01, 9.41it/s]
16it [00:01, 9.46it/s]
17it [00:01, 9.47it/s]
18it [00:01, 9.51it/s]
19it [00:02, 9.46it/s]
20it [00:02, 9.47it/s]
21it [00:02, 9.48it/s]
22it [00:02, 9.51it/s]
23it [00:02, 9.48it/s]
24it [00:02, 9.47it/s]
25it [00:02, 9.49it/s]
26it [00:02, 9.46it/s]
27it [00:02, 9.37it/s]
28it [00:02, 9.41it/s]
29it [00:03, 9.44it/s]
30it [00:03, 9.44it/s]
31it [00:03, 9.42it/s]
32it [00:03, 9.45it/s]
33it [00:03, 9.46it/s]
34it [00:03, 9.49it/s]
35it [00:03, 9.44it/s]
36it [00:03, 9.46it/s]
37it [00:03, 9.45it/s]
38it [00:04, 9.47it/s]
39it [00:04, 9.43it/s]
40it [00:04, 9.44it/s]
41it [00:04, 9.44it/s]
42it [00:04, 9.40it/s]
43it [00:04, 9.41it/s]
44it [00:04, 9.42it/s]
45it [00:04, 9.45it/s]
46it [00:04, 9.47it/s]
47it [00:04, 9.45it/s]
48it [00:05, 9.42it/s]
49it [00:05, 9.43it/s]
50it [00:05, 9.44it/s]
51it [00:05, 9.45it/s]
52it [00:05, 9.41it/s]
53it [00:05, 9.43it/s]
54it [00:05, 9.43it/s]
55it [00:05, 9.46it/s]
56it [00:05, 9.48it/s]
57it [00:06, 9.46it/s]
58it [00:06, 9.46it/s]
59it [00:06, 9.46it/s]
60it [00:06, 9.45it/s]
61it [00:06, 9.41it/s]
62it [00:06, 9.42it/s]
63it [00:06, 9.43it/s]
64it [00:06, 9.45it/s]
65it [00:06, 9.45it/s]
66it [00:07, 9.44it/s]
67it [00:07, 9.41it/s]
68it [00:07, 9.43it/s]
69it [00:07, 9.44it/s]
70it [00:07, 9.42it/s]
71it [00:07, 9.40it/s]
72it [00:07, 9.42it/s]
73it [00:07, 9.42it/s]
74it [00:07, 9.40it/s]
75it [00:07, 9.42it/s]
76it [00:08, 9.43it/s]
77it [00:08, 9.45it/s]
78it [00:08, 9.43it/s]
79it [00:08, 9.42it/s]
80it [00:08, 9.42it/s]
81it [00:08, 9.44it/s]
82it [00:08, 9.44it/s]
83it [00:08, 9.40it/s]
84it [00:08, 9.41it/s]
85it [00:09, 9.45it/s]
86it [00:09, 9.46it/s]
87it [00:09, 9.42it/s]
88it [00:09, 9.43it/s]
89it [00:09, 9.42it/s]
90it [00:09, 9.36it/s]
91it [00:09, 9.36it/s]
92it [00:09, 9.40it/s]
93it [00:09, 9.43it/s]
94it [00:09, 9.39it/s]
95it [00:10, 9.40it/s]
96it [00:10, 9.38it/s]
97it [00:10, 9.42it/s]
98it [00:10, 9.41it/s]
99it [00:10, 9.42it/s]
100it [00:10, 9.41it/s]
101it [00:10, 9.42it/s]
102it [00:10, 9.45it/s]
103it [00:10, 9.42it/s]
104it [00:11, 9.50it/s]
105it [00:11, 9.50it/s]
106it [00:11, 9.50it/s]
107it [00:11, 9.50it/s]
108it [00:11, 9.46it/s]
109it [00:11, 9.45it/s]
110it [00:11, 9.49it/s]
111it [00:11, 9.51it/s]
112it [00:11, 9.48it/s]
113it [00:11, 9.47it/s]
114it [00:12, 9.49it/s]
115it [00:12, 9.45it/s]
116it [00:12, 9.44it/s]
117it [00:12, 9.44it/s]
118it [00:12, 9.44it/s]
119it [00:12, 9.42it/s]
120it [00:12, 9.43it/s]
121it [00:12, 9.39it/s]
122it [00:12, 9.35it/s]
123it [00:13, 9.40it/s]
124it [00:13, 9.45it/s]
125it [00:13, 9.42it/s]
126it [00:13, 9.42it/s]
127it [00:13, 9.39it/s]
128it [00:13, 9.41it/s]
129it [00:13, 9.39it/s]
130it [00:13, 9.37it/s]
131it [00:13, 9.35it/s]
132it [00:14, 9.39it/s]
133it [00:14, 9.38it/s]
134it [00:14, 9.37it/s]
135it [00:14, 9.37it/s]
136it [00:14, 9.37it/s]
137it [00:14, 9.38it/s]
138it [00:14, 9.35it/s]
139it [00:14, 9.32it/s]
140it [00:14, 9.35it/s]
141it [00:14, 9.33it/s]
142it [00:15, 9.36it/s]
143it [00:15, 9.37it/s]
144it [00:15, 9.40it/s]
145it [00:15, 9.37it/s]
146it [00:15, 9.36it/s]
147it [00:15, 9.36it/s]
148it [00:15, 9.34it/s]
149it [00:15, 9.33it/s]
150it [00:15, 9.37it/s]
151it [00:16, 9.39it/s]
152it [00:16, 9.39it/s]
153it [00:16, 9.40it/s]
154it [00:16, 9.40it/s]
155it [00:16, 9.40it/s]
156it [00:16, 9.41it/s]
157it [00:16, 9.42it/s]
158it [00:16, 9.45it/s]
159it [00:16, 9.44it/s]
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|
Split counts: |
|
train: 674000 |
|
test: 164000 |
|
validation: 162000 |
|
⏰ Completed process in 8:59:40.420394 |
|
++ date |
|
+ echo 'Sat 2 Nov 00:53:32 GMT 2024 :: 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-1000000-2000000.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-1000000-2000000.csv.gz |
|
+ split_dir=20241101_peptides_6-12x100M/train |
|
++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-1000000-2000000.csv.gz .csv.gz |
|
+ split_file=20241101_peptides_6-12x100M/train/peptides_length-10_n-100000000_slice-1000000-2000000.csv.gz |
|
+ mkdir -p 20241101_peptides_6-12x100M/train |
|
++ date |
|
+ echo 'Sat 2 Nov 00:53:32 GMT 2024 :: Saving train...' |
|
Sat 2 Nov 00:53:32 GMT 2024 :: Saving train... |
|
+ zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-1000000-2000000.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 00:54:29 GMT 2024 :: 20241101_peptides_6-12x100M/train/peptides_length-10_n-100000000_slice-1000000-2000000.csv.gz' |
|
+ for split in train test validation |
|
++ dirname 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-1000000-2000000.csv.gz |
|
+ split_dir=20241101_peptides_6-12x100M/test |
|
++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-1000000-2000000.csv.gz .csv.gz |
|
+ split_file=20241101_peptides_6-12x100M/test/peptides_length-10_n-100000000_slice-1000000-2000000.csv.gz |
|
+ mkdir -p 20241101_peptides_6-12x100M/test |
|
++ date |
|
+ echo 'Sat 2 Nov 00:54:29 GMT 2024 :: Saving test...' |
|
Sat 2 Nov 00:54:29 GMT 2024 :: Saving test... |
|
+ zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-1000000-2000000.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 00:54:55 GMT 2024 :: 20241101_peptides_6-12x100M/test/peptides_length-10_n-100000000_slice-1000000-2000000.csv.gz' |
|
+ for split in train test validation |
|
++ dirname 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-1000000-2000000.csv.gz |
|
+ split_dir=20241101_peptides_6-12x100M/validation |
|
++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-1000000-2000000.csv.gz .csv.gz |
|
+ split_file=20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-1000000-2000000.csv.gz |
|
+ mkdir -p 20241101_peptides_6-12x100M/validation |
|
++ date |
|
+ echo 'Sat 2 Nov 00:54:55 GMT 2024 :: Saving validation...' |
|
Sat 2 Nov 00:54:55 GMT 2024 :: Saving validation... |
|
+ zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-1000000-2000000.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 00:55:20 GMT 2024 :: 20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-1000000-2000000.csv.gz' |
|
+ '[' -e 20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-1000000-2000000.csv.gz.success ']' |
|
+ rm 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-1000000-2000000.csv.gz 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-1000000-2000000.csv.gz.success |
|
+ set +x |
|
Sat 2 Nov 00:55:20 GMT 2024 > Peptide generation complete |
|
|
|
|
