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Fri 1 Nov 15:54:18 GMT 2024 > Generating peptides on cn014 |
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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 15:54:18 GMT 2024 > Running /camp/apps/eb/software/Anaconda3/2023.03/bin/python : Python 3.10.10 |
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Fri 1 Nov 15:54:18 GMT 2024 > Using Conda from . |
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Fri 1 Nov 15:54:18 GMT 2024 > Seed = 1; length = 10; max. number = 100000000; slice = 4000000 to 5000000; output dir. = 20241101_peptides_6-12x100M |
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Fri 1 Nov 15:54:18 GMT 2024 > There are 10240000000000 peptides of length 10; generating 100000000 (0.000976563 |
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Fri 1 Nov 15:54:18 GMT 2024 > Saving a slice to 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-4000000-5000000.csv.gz... |
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+ schemist enumerate --seed 1 --max-length 10 --prefix GY --suffix CGSGSGS --number 9.76563e-06 --slice 4000000 5000000 |
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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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+ tr ' ' , |
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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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+ gzip --best |
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+ schemist convert --column SMILES --to id inchikey scaffold mwt clogp tpsa --prefix linear_ --options prefix=SCB- |
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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 0x7f382b7739c0> |
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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: 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 0x7f9c753bb240> |
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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: ['4000000', '5000000'] |
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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 0x7eff62def880> |
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Sampling 100000051 (0.000976562998046875 |
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> Executing naive sampling. |
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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 0x7fdd5a1a74c0> |
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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 0x7fc2aba4f240> |
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898it [14:42, 1.04it/s]
899it [14:43, 1.04it/s]
900it [14:44, 1.05it/s]
901it [14:45, 1.04it/s]
902it [14:46, 1.04it/s]
903it [14:46, 1.05it/s]
904it [14:47, 1.05it/s]
905it [14:48, 1.05it/s]
906it [14:49, 1.05it/s]
907it [14:50, 1.04it/s]
908it [14:51, 1.04it/s]
909it [14:52, 1.04it/s]
910it [14:53, 1.04it/s]
911it [14:54, 1.04it/s]
912it [14:55, 1.04it/s]
913it [14:56, 1.04it/s]
914it [14:57, 1.04it/s]
915it [14:58, 1.04it/s]
916it [14:59, 1.04it/s]
917it [15:00, 1.04it/s]
918it [15:01, 1.05it/s]
919it [15:02, 1.04it/s]
920it [15:03, 1.04it/s]
921it [15:04, 1.03it/s]
922it [15:05, 1.03it/s]
923it [15:06, 1.04it/s]
924it [15:07, 1.03it/s]
925it [15:08, 1.04it/s]
926it [15:09, 1.04it/s]
927it [15:10, 1.04it/s]
928it [15:11, 1.04it/s]
929it [15:12, 1.04it/s]
930it [15:12, 1.04it/s]
931it [15:13, 1.04it/s]
932it [15:14, 1.05it/s]
933it [15:15, 1.05it/s]
934it [15:16, 1.04it/s]
935it [15:17, 1.04it/s]
936it [15:18, 1.04it/s]
937it [15:19, 1.04it/s]
938it [15:20, 1.04it/s]
939it [15:21, 1.04it/s]
940it [15:22, 1.04it/s]
941it [15:23, 1.04it/s]
942it [15:24, 1.04it/s]
943it [15:25, 1.05it/s]
944it [15:26, 1.04it/s]
945it [15:27, 1.04it/s]
946it [15:28, 1.03it/s]
947it [15:29, 1.03it/s]
948it [15:30, 1.03it/s]
949it [15:31, 1.03it/s]
950it [15:32, 1.03it/s]
951it [15:33, 1.03it/s]
952it [15:34, 1.03it/s]
953it [15:35, 1.04it/s]
954it [15:36, 1.04it/s]
955it [15:37, 1.04it/s]
956it [15:38, 1.04it/s]
957it [15:38, 1.04it/s]
958it [15:39, 1.04it/s]
959it [15:40, 1.04it/s]
960it [15:41, 1.03it/s]
961it [15:42, 1.03it/s]
962it [15:43, 1.03it/s]
963it [15:44, 1.03it/s]
964it [15:45, 1.03it/s]
965it [15:46, 1.04it/s]
966it [15:47, 1.04it/s]
967it [15:48, 1.04it/s]
968it [15:49, 1.03it/s]
969it [15:50, 1.04it/s]
970it [15:51, 1.04it/s]
971it [15:52, 1.05it/s]
972it [15:53, 1.04it/s]
973it [15:54, 1.04it/s]
974it [15:55, 1.05it/s]
975it [15:56, 1.05it/s]
976it [15:57, 1.04it/s]
977it [15:58, 1.04it/s]
978it [15:59, 1.04it/s]
979it [16:00, 1.04it/s]
980it [16:01, 1.04it/s]
981it [16:02, 1.03it/s]
982it [16:03, 1.04it/s]
983it [16:04, 1.04it/s]
984it [16:04, 1.03it/s]
985it [16:05, 1.04it/s]
986it [16:06, 1.03it/s]
987it [16:07, 1.03it/s]
988it [16:08, 1.03it/s]
989it [16:09, 1.03it/s]
990it [16:10, 1.04it/s]
991it [16:11, 1.04it/s]
992it [16:12, 1.03it/s]
993it [16:13, 1.04it/s]
994it [16:14, 1.04it/s]
995it [16:15, 1.03it/s]
996it [16:16, 1.03it/s]
997it [16:17, 1.03it/s]
998it [16:18, 1.03it/s]
999it [16:19, 1.03it/s]
1000it [16:20, 1.03it/s]
1000it [16:20, 1.02it/s] |
|
Enumerated peptides: |
|
Number of peptides: 1000000 |
|
Conversion errors: |
|
SMILES: 0 |
|
⏰ Completed process in 0:16:20.505412 |
|
0it [00:00, ?it/s]
1it [00:10, 10.79s/it]
2it [00:21, 10.62s/it]
3it [00:31, 10.56s/it]
4it [00:42, 10.55s/it]
5it [00:52, 10.53s/it]
6it [01:03, 10.52s/it]
7it [01:13, 10.49s/it]
8it [01:24, 10.47s/it]
9it [01:34, 10.47s/it]
10it [01:45, 10.48s/it]
11it [01:55, 10.47s/it]
12it [02:06, 10.46s/it]
13it [02:16, 10.46s/it]
14it [02:26, 10.45s/it]
15it [02:37, 10.44s/it]
16it [02:47, 10.45s/it]
17it [02:58, 10.45s/it]
18it [03:08, 10.46s/it]
19it [03:19, 10.44s/it]
20it [03:29, 10.44s/it]
21it [03:39, 10.44s/it]
22it [03:50, 10.41s/it]
23it [04:00, 10.42s/it]
24it [04:11, 10.43s/it]
25it [04:21, 10.45s/it]
26it [04:32, 10.44s/it]
27it [04:42, 10.44s/it]
28it [04:53, 10.44s/it]
29it [05:03, 10.43s/it]
30it [05:13, 10.43s/it]
31it [05:24, 10.44s/it]
32it [05:34, 10.45s/it]
33it [05:45, 10.48s/it]
34it [05:55, 10.47s/it]
35it [06:06, 10.49s/it]
36it [06:16, 10.48s/it]
37it [06:27, 10.45s/it]
38it [06:37, 10.46s/it]
39it [06:48, 10.45s/it]
40it [06:58, 10.44s/it]
41it [07:08, 10.43s/it]
42it [07:19, 10.43s/it]
43it [07:29, 10.44s/it]
44it [07:40, 10.43s/it]
45it [07:50, 10.43s/it]
46it [08:01, 10.41s/it]
47it [08:11, 10.42s/it]
48it [08:21, 10.45s/it]
49it [08:32, 10.46s/it]
50it [08:42, 10.44s/it]
51it [08:53, 10.44s/it]
52it [09:03, 10.45s/it]
53it [09:14, 10.45s/it]
54it [09:24, 10.42s/it]
55it [09:35, 10.44s/it]
56it [09:45, 10.46s/it]
57it [09:55, 10.45s/it]
58it [10:06, 10.47s/it]
59it [10:16, 10.47s/it]
60it [10:27, 10.46s/it]
61it [10:37, 10.46s/it]
62it [10:48, 10.46s/it]
63it [10:58, 10.46s/it]
64it [11:09, 10.46s/it]
65it [11:19, 10.44s/it]
66it [11:30, 10.44s/it]
67it [11:40, 10.44s/it]
68it [11:50, 10.44s/it]
69it [12:01, 10.43s/it]
70it [12:11, 10.45s/it]
71it [12:22, 10.45s/it]
72it [12:32, 10.50s/it]
73it [12:43, 10.51s/it]
74it [12:54, 10.54s/it]
75it [13:04, 10.54s/it]
76it [13:15, 10.55s/it]
77it [13:25, 10.52s/it]
78it [13:36, 10.54s/it]
79it [13:46, 10.52s/it]
80it [13:57, 10.52s/it]
81it [14:07, 10.49s/it]
82it [14:18, 10.52s/it]
83it [14:28, 10.52s/it]
84it [14:39, 10.49s/it]
85it [14:49, 10.48s/it]
86it [15:00, 10.51s/it]
87it [15:10, 10.50s/it]
88it [15:21, 10.51s/it]
89it [15:31, 10.47s/it]
90it [15:42, 10.48s/it]
91it [15:52, 10.46s/it]
92it [16:02, 10.46s/it]
93it [16:13, 10.46s/it]
94it [16:23, 10.47s/it]
95it [16:34, 10.51s/it]
96it [16:45, 10.52s/it]
97it [16:55, 10.53s/it]
98it [17:06, 10.53s/it]
99it [17:16, 10.49s/it]
100it [17:27, 10.49s/it]
101it [17:37, 10.49s/it]
102it [17:48, 10.52s/it]
103it [17:58, 10.50s/it]
104it [18:09, 10.51s/it]
105it [18:19, 10.52s/it]
106it [18:30, 10.51s/it]
107it [18:40, 10.50s/it]
108it [18:51, 10.48s/it]
109it [19:01, 10.46s/it]
110it [19:11, 10.47s/it]
111it [19:22, 10.46s/it]
112it [19:32, 10.44s/it]
113it [19:43, 10.47s/it]
114it [19:53, 10.48s/it]
115it [20:04, 10.48s/it]
116it [20:14, 10.50s/it]
117it [20:25, 10.51s/it]
118it [20:35, 10.49s/it]
119it [20:46, 10.50s/it]
120it [20:56, 10.50s/it]
121it [21:07, 10.51s/it]
122it [21:17, 10.50s/it]
123it [21:28, 10.49s/it]
124it [21:38, 10.49s/it]
125it [21:49, 10.47s/it]
126it [21:59, 10.46s/it]
127it [22:10, 10.48s/it]
128it [22:20, 10.48s/it]
129it [22:31, 10.49s/it]
130it [22:41, 10.50s/it]
131it [22:52, 10.50s/it]
132it [23:02, 10.51s/it]
133it [23:13, 10.53s/it]
134it [23:23, 10.50s/it]
135it [23:34, 10.51s/it]
136it [23:44, 10.49s/it]
137it [23:55, 10.49s/it]
138it [24:05, 10.52s/it]
139it [24:16, 10.50s/it]
140it [24:26, 10.52s/it]
141it [24:37, 10.51s/it]
142it [24:47, 10.49s/it]
143it [24:58, 10.51s/it]
144it [25:08, 10.51s/it]
145it [25:19, 10.48s/it]
146it [25:29, 10.46s/it]
147it [25:40, 10.43s/it]
148it [25:50, 10.41s/it]
149it [26:00, 10.43s/it]
150it [26:11, 10.45s/it]
151it [26:21, 10.47s/it]
152it [26:32, 10.51s/it]
153it [26:43, 10.58s/it]
154it [26:53, 10.57s/it]
155it [27:04, 10.60s/it]
156it [27:15, 10.62s/it]
157it [27:25, 10.62s/it]
158it [27:36, 10.59s/it]
159it [27:46, 10.55s/it]
160it [27:57, 10.55s/it]
161it [28:07, 10.52s/it]
162it [28:18, 10.50s/it]
163it [28:28, 10.58s/it]
164it [28:39, 10.62s/it]
165it [28:50, 10.59s/it]
166it [29:00, 10.58s/it]
167it [29:11, 10.57s/it]
168it [29:21, 10.58s/it]
169it [29:32, 10.60s/it]
170it [29:43, 10.57s/it]
171it [29:53, 10.54s/it]
172it [30:03, 10.50s/it]
173it [30:14, 10.49s/it]
174it [30:24, 10.49s/it]
175it [30:35, 10.51s/it]
176it [30:45, 10.48s/it]
177it [30:56, 10.46s/it]
178it [31:06, 10.43s/it]
179it [31:16, 10.41s/it]
180it [31:27, 10.44s/it]
181it [31:37, 10.45s/it]
182it [31:48, 10.45s/it]
183it [31:58, 10.44s/it]
184it [32:09, 10.39s/it]
185it [32:19, 10.41s/it]
186it [32:30, 10.44s/it]
187it [32:40, 10.42s/it]
188it [32:50, 10.43s/it]
189it [33:01, 10.44s/it]
190it [33:11, 10.45s/it]
191it [33:22, 10.46s/it]
192it [33:32, 10.46s/it]
193it [33:43, 10.45s/it]
194it [33:53, 10.47s/it]
195it [34:04, 10.46s/it]
196it [34:14, 10.46s/it]
197it [34:24, 10.43s/it]
198it [34:35, 10.46s/it]
199it [34:45, 10.47s/it]
200it [34:56, 10.50s/it]
201it [35:07, 10.50s/it]
202it [35:17, 10.52s/it]
203it [35:28, 10.53s/it]
204it [35:38, 10.52s/it]
205it [35:49, 10.54s/it]
206it [35:59, 10.54s/it]
207it [36:10, 10.57s/it]
208it [36:21, 10.58s/it]
209it [36:31, 10.57s/it]
210it [36:42, 10.59s/it]
211it [36:52, 10.58s/it]
212it [37:03, 10.58s/it]
213it [37:14, 10.62s/it]
214it [37:24, 10.63s/it]
215it [37:35, 10.65s/it]
216it [37:45, 10.62s/it]
217it [37:56, 10.63s/it]
218it [38:07, 10.62s/it]
219it [38:17, 10.59s/it]
220it [38:28, 10.60s/it]
221it [38:39, 10.63s/it]
222it [38:49, 10.64s/it]
223it [39:00, 10.64s/it]
224it [39:11, 10.64s/it]
225it [39:21, 10.66s/it]
226it [39:32, 10.68s/it]
227it [39:43, 10.69s/it]
228it [39:53, 10.71s/it]
229it [40:04, 10.71s/it]
230it [40:15, 10.74s/it]
231it [40:25, 10.68s/it]
232it [40:36, 10.68s/it]
233it [40:47, 10.68s/it]
234it [40:58, 10.70s/it]
235it [41:08, 10.70s/it]
236it [41:19, 10.72s/it]
237it [41:30, 10.71s/it]
238it [41:40, 10.69s/it]
239it [41:51, 10.73s/it]
240it [42:02, 10.73s/it]
241it [42:13, 10.72s/it]
242it [42:23, 10.73s/it]
243it [42:34, 10.70s/it]
244it [42:45, 10.70s/it]
245it [42:55, 10.72s/it]
246it [43:06, 10.73s/it]
247it [43:17, 10.74s/it]
248it [43:28, 10.75s/it]
249it [43:38, 10.73s/it]
250it [43:49, 10.71s/it]
251it [44:00, 10.72s/it]
252it [44:11, 10.74s/it]
253it [44:21, 10.73s/it]
254it [44:32, 10.71s/it]
255it [44:43, 10.69s/it]
256it [44:53, 10.68s/it]
257it [45:04, 10.69s/it]
258it [45:15, 10.68s/it]
259it [45:25, 10.69s/it]
260it [45:36, 10.68s/it]
261it [45:47, 10.66s/it]
262it [45:57, 10.66s/it]
263it [46:08, 10.66s/it]
264it [46:19, 10.67s/it]
265it [46:29, 10.69s/it]
266it [46:40, 10.68s/it]
267it [46:51, 10.66s/it]
268it [47:01, 10.67s/it]
269it [47:12, 10.67s/it]
270it [47:23, 10.65s/it]
271it [47:33, 10.65s/it]
272it [47:44, 10.66s/it]
273it [47:55, 10.67s/it]
274it [48:05, 10.68s/it]
275it [48:16, 10.71s/it]
276it [48:27, 10.74s/it]
277it [48:38, 10.72s/it]
278it [48:48, 10.70s/it]
279it [48:59, 10.71s/it]
280it [49:10, 10.72s/it]
281it [49:20, 10.70s/it]
282it [49:31, 10.73s/it]
283it [49:42, 10.73s/it]
284it [49:53, 10.74s/it]
285it [50:03, 10.74s/it]
286it [50:14, 10.75s/it]
287it [50:25, 10.71s/it]
288it [50:36, 10.72s/it]
289it [50:46, 10.74s/it]
290it [50:57, 10.75s/it]
291it [51:08, 10.71s/it]
292it [51:18, 10.66s/it]
293it [51:29, 10.69s/it]
294it [51:40, 10.73s/it]
295it [51:51, 10.77s/it]
296it [52:02, 10.80s/it]
297it [52:12, 10.78s/it]
298it [52:23, 10.77s/it]
299it [52:34, 10.80s/it]
300it [52:45, 10.79s/it]
301it [52:55, 10.77s/it]
302it [53:06, 10.75s/it]
303it [53:17, 10.76s/it]
304it [53:28, 10.75s/it]
305it [53:38, 10.76s/it]
306it [53:49, 10.80s/it]
307it [54:00, 10.77s/it]
308it [54:11, 10.78s/it]
309it [54:22, 10.77s/it]
310it [54:32, 10.78s/it]
311it [54:43, 10.78s/it]
312it [54:54, 10.76s/it]
313it [55:05, 10.80s/it]
314it [55:15, 10.77s/it]
315it [55:26, 10.78s/it]
316it [55:37, 10.74s/it]
317it [55:48, 10.72s/it]
318it [55:58, 10.72s/it]
319it [56:09, 10.68s/it]
320it [56:20, 10.71s/it]
321it [56:30, 10.73s/it]
322it [56:41, 10.72s/it]
323it [56:52, 10.72s/it]
324it [57:03, 10.72s/it]
325it [57:13, 10.71s/it]
326it [57:24, 10.72s/it]
327it [57:35, 10.74s/it]
328it [57:46, 10.72s/it]
329it [57:56, 10.70s/it]
330it [58:07, 10.72s/it]
331it [58:18, 10.73s/it]
332it [58:29, 10.76s/it]
333it [58:39, 10.77s/it]
334it [58:50, 10.76s/it]
335it [59:01, 10.76s/it]
336it [59:12, 10.77s/it]
337it [59:22, 10.78s/it]
338it [59:33, 10.78s/it]
339it [59:44, 10.77s/it]
340it [59:55, 10.78s/it]
341it [1:00:06, 10.80s/it]
342it [1:00:16, 10.81s/it]
343it [1:00:27, 10.80s/it]
344it [1:00:38, 10.82s/it]
345it [1:00:49, 10.83s/it]
346it [1:01:00, 10.83s/it]
347it [1:01:11, 10.83s/it]
348it [1:01:21, 10.84s/it]
349it [1:01:32, 10.87s/it]
350it [1:01:43, 10.83s/it]
351it [1:01:54, 10.83s/it]
352it [1:02:05, 10.81s/it]
353it [1:02:16, 10.81s/it]
354it [1:02:26, 10.83s/it]
355it [1:02:37, 10.82s/it]
356it [1:02:48, 10.84s/it]
357it [1:02:59, 10.84s/it]
358it [1:03:10, 10.81s/it]
359it [1:03:21, 10.83s/it]
360it [1:03:31, 10.83s/it]
361it [1:03:42, 10.82s/it]
362it [1:03:53, 10.79s/it]
363it [1:04:04, 10.79s/it]
364it [1:04:15, 10.83s/it]
365it [1:04:25, 10.81s/it]
366it [1:04:36, 10.88s/it]
367it [1:04:47, 10.89s/it]
368it [1:04:58, 10.90s/it]
369it [1:05:09, 10.87s/it]
370it [1:05:20, 10.82s/it]
371it [1:05:31, 10.85s/it]
372it [1:05:42, 10.85s/it]
373it [1:05:52, 10.87s/it]
374it [1:06:03, 10.86s/it]
375it [1:06:14, 10.84s/it]
376it [1:06:25, 10.77s/it]
377it [1:06:35, 10.76s/it]
378it [1:06:46, 10.76s/it]
379it [1:06:57, 10.77s/it]
380it [1:07:08, 10.76s/it]
381it [1:07:18, 10.76s/it]
382it [1:07:29, 10.73s/it]
383it [1:07:40, 10.75s/it]
384it [1:07:51, 10.72s/it]
385it [1:08:01, 10.72s/it]
386it [1:08:12, 10.72s/it]
387it [1:08:23, 10.72s/it]
388it [1:08:33, 10.71s/it]
389it [1:08:44, 10.70s/it]
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975it [2:53:10, 10.57s/it]
976it [2:53:20, 10.60s/it]
977it [2:53:31, 10.60s/it]
978it [2:53:42, 10.63s/it]
979it [2:53:52, 10.61s/it]
980it [2:54:03, 10.57s/it]
981it [2:54:13, 10.58s/it]
982it [2:54:24, 10.59s/it]
983it [2:54:34, 10.60s/it]
984it [2:54:45, 10.64s/it]
985it [2:54:56, 10.61s/it]
986it [2:55:06, 10.57s/it]
987it [2:55:17, 10.59s/it]
988it [2:55:27, 10.60s/it]
989it [2:55:38, 10.57s/it]
990it [2:55:48, 10.57s/it]
991it [2:55:59, 10.59s/it]
992it [2:56:10, 10.58s/it]
993it [2:56:20, 10.61s/it]
994it [2:56:31, 10.60s/it]
995it [2:56:41, 10.58s/it]
996it [2:56:52, 10.56s/it]
997it [2:57:03, 10.56s/it]
998it [2:57:13, 10.57s/it]
999it [2:57:24, 10.57s/it]
1000it [2:57:34, 10.58s/it]
1000it [2:57:34, 10.65s/it] |
|
Error counts: |
|
linear_id: 0 |
|
linear_inchikey: 0 |
|
linear_scaffold: 0 |
|
linear_mwt: 0 |
|
linear_clogp: 0 |
|
linear_tpsa: 0 |
|
⏰ Completed process in 3:13:56.153300 |
|
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779it [1:50:35, 8.47s/it]
780it [1:50:43, 8.50s/it]
781it [1:50:52, 8.48s/it]
782it [1:51:00, 8.45s/it]
783it [1:51:08, 8.43s/it]
784it [1:51:17, 8.42s/it]
785it [1:51:25, 8.42s/it]
786it [1:51:34, 8.43s/it]
787it [1:51:42, 8.43s/it]
788it [1:51:51, 8.43s/it]
789it [1:51:59, 8.41s/it]
790it [1:52:07, 8.40s/it]
791it [1:52:16, 8.39s/it]
792it [1:52:24, 8.37s/it]
793it [1:52:32, 8.38s/it]
794it [1:52:41, 8.40s/it]
795it [1:52:49, 8.40s/it]
796it [1:52:58, 8.40s/it]
797it [1:53:06, 8.38s/it]
798it [1:53:14, 8.39s/it]
799it [1:53:23, 8.40s/it]
800it [1:53:31, 8.40s/it]
801it [1:53:40, 8.43s/it]
802it [1:53:48, 8.42s/it]
803it [1:53:57, 8.42s/it]
804it [1:54:05, 8.39s/it]
805it [1:54:13, 8.40s/it]
806it [1:54:22, 8.37s/it]
807it [1:54:30, 8.38s/it]
808it [1:54:38, 8.41s/it]
809it [1:54:47, 8.43s/it]
810it [1:54:55, 8.42s/it]
811it [1:55:04, 8.44s/it]
812it [1:55:12, 8.45s/it]
813it [1:55:21, 8.45s/it]
814it [1:55:29, 8.44s/it]
815it [1:55:38, 8.44s/it]
816it [1:55:46, 8.44s/it]
817it [1:55:54, 8.43s/it]
818it [1:56:03, 8.44s/it]
819it [1:56:11, 8.45s/it]
820it [1:56:20, 8.43s/it]
821it [1:56:28, 8.44s/it]
822it [1:56:37, 8.45s/it]
823it [1:56:45, 8.43s/it]
824it [1:56:54, 8.43s/it]
825it [1:57:02, 8.42s/it]
826it [1:57:10, 8.42s/it]
827it [1:57:19, 8.42s/it]
828it [1:57:27, 8.45s/it]
829it [1:57:36, 8.45s/it]
830it [1:57:44, 8.46s/it]
831it [1:57:53, 8.45s/it]
832it [1:58:01, 8.44s/it]
833it [1:58:09, 8.43s/it]
834it [1:58:18, 8.42s/it]
835it [1:58:26, 8.42s/it]
836it [1:58:35, 8.42s/it]
837it [1:58:43, 8.42s/it]
838it [1:58:52, 8.41s/it]
839it [1:59:00, 8.43s/it]
840it [1:59:08, 8.45s/it]
841it [1:59:17, 8.42s/it]
842it [1:59:25, 8.41s/it]
843it [1:59:34, 8.42s/it]
844it [1:59:42, 8.44s/it]
845it [1:59:51, 8.42s/it]
846it [1:59:59, 8.41s/it]
847it [2:00:07, 8.41s/it]
848it [2:00:16, 8.40s/it]
849it [2:00:24, 8.43s/it]
850it [2:00:33, 8.42s/it]
851it [2:00:41, 8.42s/it]
852it [2:00:50, 8.48s/it]
853it [2:00:58, 8.49s/it]
854it [2:01:07, 8.45s/it]
855it [2:01:15, 8.43s/it]
856it [2:01:23, 8.43s/it]
857it [2:01:32, 8.43s/it]
858it [2:01:40, 8.41s/it]
859it [2:01:49, 8.41s/it]
860it [2:01:57, 8.40s/it]
861it [2:02:05, 8.38s/it]
862it [2:02:14, 8.38s/it]
863it [2:02:22, 8.37s/it]
864it [2:02:31, 8.43s/it]
865it [2:02:39, 8.43s/it]
866it [2:02:47, 8.43s/it]
867it [2:02:56, 8.43s/it]
868it [2:03:04, 8.41s/it]
869it [2:03:13, 8.40s/it]
870it [2:03:21, 8.43s/it]
871it [2:03:29, 8.41s/it]
872it [2:03:38, 8.41s/it]
873it [2:03:46, 8.42s/it]
874it [2:03:55, 8.40s/it]
875it [2:04:03, 8.42s/it]
876it [2:04:12, 8.42s/it]
877it [2:04:20, 8.42s/it]
878it [2:04:28, 8.42s/it]
879it [2:04:37, 8.42s/it]
880it [2:04:45, 8.43s/it]
881it [2:04:54, 8.43s/it]
882it [2:05:02, 8.44s/it]
883it [2:05:11, 8.45s/it]
884it [2:05:19, 8.47s/it]
885it [2:05:28, 8.44s/it]
886it [2:05:36, 8.40s/it]
887it [2:05:44, 8.42s/it]
888it [2:05:53, 8.39s/it]
889it [2:06:01, 8.38s/it]
890it [2:06:09, 8.38s/it]
891it [2:06:18, 8.38s/it]
892it [2:06:26, 8.36s/it]
893it [2:06:34, 8.37s/it]
894it [2:06:43, 8.36s/it]
895it [2:06:51, 8.37s/it]
896it [2:07:00, 8.37s/it]
897it [2:07:08, 8.37s/it]
898it [2:07:16, 8.40s/it]
899it [2:07:25, 8.40s/it]
900it [2:07:33, 8.38s/it]
901it [2:07:42, 8.39s/it]
902it [2:07:50, 8.38s/it]
903it [2:07:58, 8.34s/it]
904it [2:08:07, 8.36s/it]
905it [2:08:15, 8.37s/it]
906it [2:08:23, 8.40s/it]
907it [2:08:32, 8.39s/it]
908it [2:08:40, 8.37s/it]
909it [2:08:49, 8.39s/it]
910it [2:08:57, 8.39s/it]
911it [2:09:05, 8.39s/it]
912it [2:09:14, 8.40s/it]
913it [2:09:22, 8.40s/it]
914it [2:09:31, 8.42s/it]
915it [2:09:39, 8.44s/it]
916it [2:09:48, 8.44s/it]
917it [2:09:56, 8.43s/it]
918it [2:10:04, 8.44s/it]
919it [2:10:13, 8.43s/it]
920it [2:10:21, 8.43s/it]
921it [2:10:30, 8.44s/it]
922it [2:10:38, 8.47s/it]
923it [2:10:47, 8.44s/it]
924it [2:10:55, 8.45s/it]
925it [2:11:04, 8.45s/it]
926it [2:11:12, 8.47s/it]
927it [2:11:20, 8.45s/it]
928it [2:11:29, 8.47s/it]
929it [2:11:38, 8.50s/it]
930it [2:11:46, 8.51s/it]
931it [2:11:55, 8.51s/it]
932it [2:12:03, 8.49s/it]
933it [2:12:11, 8.49s/it]
934it [2:12:20, 8.52s/it]
935it [2:12:29, 8.52s/it]
936it [2:12:37, 8.52s/it]
937it [2:12:46, 8.50s/it]
938it [2:12:54, 8.49s/it]
939it [2:13:03, 8.49s/it]
940it [2:13:11, 8.49s/it]
941it [2:13:20, 8.49s/it]
942it [2:13:28, 8.51s/it]
943it [2:13:37, 8.50s/it]
944it [2:13:45, 8.47s/it]
945it [2:13:53, 8.47s/it]
946it [2:14:02, 8.45s/it]
947it [2:14:10, 8.47s/it]
948it [2:14:19, 8.46s/it]
949it [2:14:27, 8.47s/it]
950it [2:14:36, 8.46s/it]
951it [2:14:44, 8.45s/it]
952it [2:14:53, 8.46s/it]
953it [2:15:01, 8.45s/it]
954it [2:15:10, 8.47s/it]
955it [2:15:18, 8.48s/it]
956it [2:15:27, 8.50s/it]
957it [2:15:35, 8.49s/it]
958it [2:15:44, 8.52s/it]
959it [2:15:52, 8.50s/it]
960it [2:16:01, 8.49s/it]
961it [2:16:09, 8.48s/it]
962it [2:16:18, 8.48s/it]
963it [2:16:26, 8.48s/it]
964it [2:16:34, 8.48s/it]
965it [2:16:43, 8.48s/it]
966it [2:16:51, 8.45s/it]
967it [2:17:00, 8.46s/it]
968it [2:17:08, 8.47s/it]
969it [2:17:17, 8.48s/it]
970it [2:17:25, 8.49s/it]
971it [2:17:34, 8.51s/it]
972it [2:17:42, 8.53s/it]
973it [2:17:51, 8.51s/it]
974it [2:17:59, 8.52s/it]
975it [2:18:08, 8.54s/it]
976it [2:18:17, 8.55s/it]
977it [2:18:25, 8.55s/it]
978it [2:18:34, 8.58s/it]
979it [2:18:42, 8.58s/it]
980it [2:18:51, 8.56s/it]
981it [2:19:00, 8.59s/it]
982it [2:19:08, 8.58s/it]
983it [2:19:17, 8.60s/it]
984it [2:19:25, 8.60s/it]
985it [2:19:34, 8.60s/it]
986it [2:19:43, 8.58s/it]
987it [2:19:51, 8.57s/it]
988it [2:20:00, 8.60s/it]
989it [2:20:08, 8.62s/it]
990it [2:20:17, 8.59s/it]
991it [2:20:26, 8.59s/it]
992it [2:20:34, 8.58s/it]
993it [2:20:43, 8.59s/it]
994it [2:20:51, 8.60s/it]
995it [2:21:00, 8.58s/it]
996it [2:21:08, 8.59s/it]
997it [2:21:17, 8.59s/it]
998it [2:21:26, 8.61s/it]
999it [2:21:34, 8.63s/it]
1000it [2:21:43, 8.61s/it]
1000it [2:21:43, 8.50s/it] |
|
Error counts: |
|
cysteine_to_N_cyclization: 0 |
|
⏰ Completed process in 5:35:40.580757 |
|
0it [00:00, ?it/s]
1it [00:10, 10.90s/it]
2it [00:21, 10.83s/it]
3it [00:32, 10.77s/it]
4it [00:43, 10.77s/it]
5it [00:53, 10.75s/it]
6it [01:04, 10.77s/it]
7it [01:15, 10.75s/it]
8it [01:26, 10.72s/it]
9it [01:36, 10.75s/it]
10it [01:47, 10.75s/it]
11it [01:58, 10.74s/it]
12it [02:09, 10.75s/it]
13it [02:19, 10.75s/it]
14it [02:30, 10.73s/it]
15it [02:41, 10.73s/it]
16it [02:52, 10.74s/it]
17it [03:02, 10.74s/it]
18it [03:13, 10.74s/it]
19it [03:24, 10.73s/it]
20it [03:34, 10.72s/it]
21it [03:45, 10.72s/it]
22it [03:56, 10.70s/it]
23it [04:06, 10.69s/it]
24it [04:17, 10.71s/it]
25it [04:28, 10.73s/it]
26it [04:39, 10.73s/it]
27it [04:49, 10.73s/it]
28it [05:00, 10.72s/it]
29it [05:11, 10.71s/it]
30it [05:22, 10.73s/it]
31it [05:32, 10.73s/it]
32it [05:43, 10.73s/it]
33it [05:54, 10.75s/it]
34it [06:05, 10.73s/it]
35it [06:15, 10.73s/it]
36it [06:26, 10.71s/it]
37it [06:37, 10.70s/it]
38it [06:47, 10.69s/it]
39it [06:58, 10.67s/it]
40it [07:09, 10.67s/it]
41it [07:19, 10.68s/it]
42it [07:30, 10.67s/it]
43it [07:41, 10.68s/it]
44it [07:51, 10.68s/it]
45it [08:02, 10.69s/it]
46it [08:13, 10.67s/it]
47it [08:23, 10.68s/it]
48it [08:34, 10.70s/it]
49it [08:45, 10.69s/it]
50it [08:55, 10.68s/it]
51it [09:06, 10.68s/it]
52it [09:17, 10.69s/it]
53it [09:28, 10.70s/it]
54it [09:38, 10.67s/it]
55it [09:49, 10.72s/it]
56it [10:00, 10.74s/it]
57it [10:10, 10.73s/it]
58it [10:21, 10.75s/it]
59it [10:32, 10.74s/it]
60it [10:43, 10.71s/it]
61it [10:53, 10.74s/it]
62it [11:04, 10.73s/it]
63it [11:15, 10.73s/it]
64it [11:26, 10.73s/it]
65it [11:36, 10.72s/it]
66it [11:47, 10.73s/it]
67it [11:58, 10.74s/it]
68it [12:09, 10.76s/it]
69it [12:20, 10.84s/it]
70it [12:31, 10.86s/it]
71it [12:41, 10.83s/it]
72it [12:52, 10.82s/it]
73it [13:03, 10.80s/it]
74it [13:14, 10.78s/it]
75it [13:24, 10.76s/it]
76it [13:35, 10.75s/it]
77it [13:46, 10.73s/it]
78it [13:56, 10.74s/it]
79it [14:07, 10.73s/it]
80it [14:18, 10.76s/it]
81it [14:29, 10.80s/it]
82it [14:40, 10.82s/it]
83it [14:51, 10.80s/it]
84it [15:01, 10.77s/it]
85it [15:12, 10.76s/it]
86it [15:23, 10.74s/it]
87it [15:33, 10.72s/it]
88it [15:44, 10.72s/it]
89it [15:55, 10.72s/it]
90it [16:05, 10.71s/it]
91it [16:16, 10.68s/it]
92it [16:27, 10.64s/it]
93it [16:37, 10.61s/it]
94it [16:48, 10.59s/it]
95it [16:58, 10.57s/it]
96it [17:09, 10.58s/it]
97it [17:19, 10.56s/it]
98it [17:30, 10.55s/it]
99it [17:40, 10.53s/it]
100it [17:51, 10.52s/it]
101it [18:01, 10.53s/it]
102it [18:12, 10.55s/it]
103it [18:22, 10.53s/it]
104it [18:33, 10.52s/it]
105it [18:43, 10.51s/it]
106it [18:54, 10.52s/it]
107it [19:04, 10.51s/it]
108it [19:15, 10.49s/it]
109it [19:25, 10.46s/it]
110it [19:36, 10.48s/it]
111it [19:46, 10.49s/it]
112it [19:57, 10.50s/it]
113it [20:07, 10.52s/it]
114it [20:18, 10.52s/it]
115it [20:28, 10.50s/it]
116it [20:39, 10.50s/it]
117it [20:49, 10.50s/it]
118it [21:00, 10.50s/it]
119it [21:10, 10.51s/it]
120it [21:21, 10.49s/it]
121it [21:31, 10.48s/it]
122it [21:42, 10.48s/it]
123it [21:52, 10.45s/it]
124it [22:03, 10.44s/it]
125it [22:13, 10.40s/it]
126it [22:23, 10.39s/it]
127it [22:34, 10.38s/it]
128it [22:44, 10.38s/it]
129it [22:54, 10.38s/it]
130it [23:05, 10.37s/it]
131it [23:15, 10.36s/it]
132it [23:25, 10.38s/it]
133it [23:36, 10.35s/it]
134it [23:46, 10.34s/it]
135it [23:56, 10.35s/it]
136it [24:07, 10.36s/it]
137it [24:17, 10.37s/it]
138it [24:28, 10.37s/it]
139it [24:38, 10.38s/it]
140it [24:49, 10.41s/it]
141it [24:59, 10.42s/it]
142it [25:09, 10.45s/it]
143it [25:20, 10.45s/it]
144it [25:30, 10.45s/it]
145it [25:41, 10.45s/it]
146it [25:51, 10.43s/it]
147it [26:02, 10.41s/it]
148it [26:12, 10.39s/it]
149it [26:22, 10.40s/it]
150it [26:33, 10.40s/it]
151it [26:43, 10.40s/it]
152it [26:54, 10.41s/it]
153it [27:04, 10.41s/it]
154it [27:14, 10.40s/it]
155it [27:25, 10.42s/it]
156it [27:35, 10.42s/it]
157it [27:46, 10.41s/it]
158it [27:56, 10.40s/it]
159it [28:07, 10.43s/it]
160it [28:17, 10.46s/it]
161it [28:27, 10.45s/it]
162it [28:38, 10.41s/it]
163it [28:48, 10.42s/it]
164it [28:59, 10.43s/it]
165it [29:09, 10.42s/it]
166it [29:20, 10.43s/it]
167it [29:30, 10.43s/it]
168it [29:40, 10.44s/it]
169it [29:51, 10.45s/it]
170it [30:01, 10.44s/it]
171it [30:12, 10.45s/it]
172it [30:22, 10.45s/it]
173it [30:33, 10.48s/it]
174it [30:43, 10.50s/it]
175it [30:54, 10.50s/it]
176it [31:04, 10.48s/it]
177it [31:15, 10.47s/it]
178it [31:25, 10.46s/it]
179it [31:36, 10.46s/it]
180it [31:46, 10.48s/it]
181it [31:57, 10.52s/it]
182it [32:07, 10.55s/it]
183it [32:18, 10.55s/it]
184it [32:28, 10.55s/it]
185it [32:39, 10.57s/it]
186it [32:50, 10.58s/it]
187it [33:00, 10.58s/it]
188it [33:11, 10.59s/it]
189it [33:21, 10.59s/it]
190it [33:32, 10.57s/it]
191it [33:43, 10.58s/it]
192it [33:53, 10.58s/it]
193it [34:04, 10.58s/it]
194it [34:14, 10.60s/it]
195it [34:25, 10.60s/it]
196it [34:36, 10.60s/it]
197it [34:46, 10.59s/it]
198it [34:57, 10.61s/it]
199it [35:08, 10.65s/it]
200it [35:18, 10.63s/it]
201it [35:29, 10.63s/it]
202it [35:39, 10.62s/it]
203it [35:50, 10.62s/it]
204it [36:01, 10.60s/it]
205it [36:11, 10.62s/it]
206it [36:22, 10.61s/it]
207it [36:32, 10.63s/it]
208it [36:43, 10.62s/it]
209it [36:54, 10.61s/it]
210it [37:04, 10.62s/it]
211it [37:15, 10.63s/it]
212it [37:26, 10.64s/it]
213it [37:36, 10.63s/it]
214it [37:47, 10.61s/it]
215it [37:57, 10.60s/it]
216it [38:08, 10.61s/it]
217it [38:19, 10.60s/it]
218it [38:29, 10.60s/it]
219it [38:40, 10.57s/it]
220it [38:50, 10.57s/it]
221it [39:01, 10.57s/it]
222it [39:11, 10.57s/it]
223it [39:22, 10.59s/it]
224it [39:33, 10.59s/it]
225it [39:43, 10.56s/it]
226it [39:54, 10.56s/it]
227it [40:04, 10.55s/it]
228it [40:15, 10.55s/it]
229it [40:25, 10.51s/it]
230it [40:36, 10.50s/it]
231it [40:46, 10.49s/it]
232it [40:57, 10.48s/it]
233it [41:07, 10.49s/it]
234it [41:17, 10.48s/it]
235it [41:28, 10.48s/it]
236it [41:38, 10.50s/it]
237it [41:49, 10.49s/it]
238it [41:59, 10.48s/it]
239it [42:10, 10.49s/it]
240it [42:20, 10.50s/it]
241it [42:31, 10.50s/it]
242it [42:41, 10.49s/it]
243it [42:52, 10.50s/it]
244it [43:02, 10.51s/it]
245it [43:13, 10.51s/it]
246it [43:23, 10.50s/it]
247it [43:34, 10.49s/it]
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712it [2:04:22, 10.28s/it]
713it [2:04:32, 10.29s/it]
714it [2:04:43, 10.30s/it]
715it [2:04:53, 10.29s/it]
716it [2:05:03, 10.30s/it]
717it [2:05:14, 10.30s/it]
718it [2:05:24, 10.30s/it]
719it [2:05:34, 10.31s/it]
720it [2:05:44, 10.30s/it]
721it [2:05:55, 10.29s/it]
722it [2:06:05, 10.29s/it]
723it [2:06:15, 10.28s/it]
724it [2:06:26, 10.28s/it]
725it [2:06:36, 10.28s/it]
726it [2:06:46, 10.29s/it]
727it [2:06:56, 10.29s/it]
728it [2:07:07, 10.27s/it]
729it [2:07:17, 10.28s/it]
730it [2:07:27, 10.30s/it]
731it [2:07:38, 10.29s/it]
732it [2:07:48, 10.28s/it]
733it [2:07:58, 10.30s/it]
734it [2:08:08, 10.28s/it]
735it [2:08:19, 10.27s/it]
736it [2:08:29, 10.27s/it]
737it [2:08:39, 10.30s/it]
738it [2:08:50, 10.30s/it]
739it [2:09:00, 10.29s/it]
740it [2:09:10, 10.29s/it]
741it [2:09:20, 10.29s/it]
742it [2:09:31, 10.30s/it]
743it [2:09:41, 10.29s/it]
744it [2:09:51, 10.30s/it]
745it [2:10:02, 10.30s/it]
746it [2:10:12, 10.29s/it]
747it [2:10:22, 10.28s/it]
748it [2:10:32, 10.30s/it]
749it [2:10:43, 10.28s/it]
750it [2:10:53, 10.29s/it]
751it [2:11:03, 10.29s/it]
752it [2:11:14, 10.30s/it]
753it [2:11:24, 10.30s/it]
754it [2:11:34, 10.29s/it]
755it [2:11:44, 10.28s/it]
756it [2:11:55, 10.28s/it]
757it [2:12:05, 10.27s/it]
758it [2:12:15, 10.28s/it]
759it [2:12:26, 10.30s/it]
760it [2:12:36, 10.30s/it]
761it [2:12:46, 10.31s/it]
762it [2:12:57, 10.30s/it]
763it [2:13:07, 10.30s/it]
764it [2:13:17, 10.30s/it]
765it [2:13:27, 10.27s/it]
766it [2:13:38, 10.26s/it]
767it [2:13:48, 10.27s/it]
768it [2:13:58, 10.26s/it]
769it [2:14:08, 10.27s/it]
770it [2:14:19, 10.27s/it]
771it [2:14:29, 10.28s/it]
772it [2:14:39, 10.29s/it]
773it [2:14:50, 10.30s/it]
774it [2:15:00, 10.29s/it]
775it [2:15:10, 10.30s/it]
776it [2:15:20, 10.29s/it]
777it [2:15:31, 10.29s/it]
778it [2:15:41, 10.29s/it]
779it [2:15:51, 10.31s/it]
780it [2:16:02, 10.31s/it]
781it [2:16:12, 10.32s/it]
782it [2:16:22, 10.31s/it]
783it [2:16:33, 10.30s/it]
784it [2:16:43, 10.30s/it]
785it [2:16:53, 10.31s/it]
786it [2:17:03, 10.29s/it]
787it [2:17:14, 10.28s/it]
788it [2:17:24, 10.29s/it]
789it [2:17:34, 10.30s/it]
790it [2:17:45, 10.31s/it]
791it [2:17:55, 10.31s/it]
792it [2:18:05, 10.29s/it]
793it [2:18:16, 10.29s/it]
794it [2:18:26, 10.29s/it]
795it [2:18:36, 10.29s/it]
796it [2:18:46, 10.29s/it]
797it [2:18:57, 10.27s/it]
798it [2:19:07, 10.26s/it]
799it [2:19:17, 10.27s/it]
800it [2:19:27, 10.26s/it]
801it [2:19:38, 10.28s/it]
802it [2:19:48, 10.28s/it]
803it [2:19:58, 10.28s/it]
804it [2:20:09, 10.28s/it]
805it [2:20:19, 10.29s/it]
806it [2:20:29, 10.26s/it]
807it [2:20:39, 10.28s/it]
808it [2:20:50, 10.28s/it]
809it [2:21:00, 10.29s/it]
810it [2:21:10, 10.28s/it]
811it [2:21:21, 10.29s/it]
812it [2:21:31, 10.30s/it]
813it [2:21:41, 10.29s/it]
814it [2:21:51, 10.29s/it]
815it [2:22:02, 10.29s/it]
816it [2:22:12, 10.29s/it]
817it [2:22:22, 10.29s/it]
818it [2:22:33, 10.29s/it]
819it [2:22:43, 10.28s/it]
820it [2:22:53, 10.30s/it]
821it [2:23:04, 10.30s/it]
822it [2:23:14, 10.29s/it]
823it [2:23:24, 10.27s/it]
824it [2:23:34, 10.28s/it]
825it [2:23:45, 10.28s/it]
826it [2:23:55, 10.27s/it]
827it [2:24:05, 10.28s/it]
828it [2:24:15, 10.29s/it]
829it [2:24:26, 10.29s/it]
830it [2:24:36, 10.29s/it]
831it [2:24:46, 10.30s/it]
832it [2:24:57, 10.31s/it]
833it [2:25:07, 10.35s/it]
834it [2:25:17, 10.33s/it]
835it [2:25:28, 10.33s/it]
836it [2:25:38, 10.31s/it]
837it [2:25:48, 10.31s/it]
838it [2:25:59, 10.29s/it]
839it [2:26:09, 10.29s/it]
840it [2:26:19, 10.31s/it]
841it [2:26:29, 10.30s/it]
842it [2:26:40, 10.29s/it]
843it [2:26:50, 10.29s/it]
844it [2:27:00, 10.31s/it]
845it [2:27:11, 10.30s/it]
846it [2:27:21, 10.28s/it]
847it [2:27:31, 10.28s/it]
848it [2:27:41, 10.28s/it]
849it [2:27:52, 10.30s/it]
850it [2:28:02, 10.30s/it]
851it [2:28:12, 10.30s/it]
852it [2:28:23, 10.31s/it]
853it [2:28:33, 10.31s/it]
854it [2:28:43, 10.29s/it]
855it [2:28:54, 10.27s/it]
856it [2:29:04, 10.28s/it]
857it [2:29:14, 10.28s/it]
858it [2:29:24, 10.28s/it]
859it [2:29:35, 10.27s/it]
860it [2:29:45, 10.28s/it]
861it [2:29:55, 10.28s/it]
862it [2:30:06, 10.29s/it]
863it [2:30:16, 10.29s/it]
864it [2:30:26, 10.31s/it]
865it [2:30:36, 10.30s/it]
866it [2:30:47, 10.31s/it]
867it [2:30:57, 10.32s/it]
868it [2:31:07, 10.31s/it]
869it [2:31:18, 10.31s/it]
870it [2:31:28, 10.31s/it]
871it [2:31:38, 10.29s/it]
872it [2:31:49, 10.29s/it]
873it [2:31:59, 10.30s/it]
874it [2:32:09, 10.28s/it]
875it [2:32:19, 10.30s/it]
876it [2:32:30, 10.30s/it]
877it [2:32:40, 10.29s/it]
878it [2:32:50, 10.30s/it]
879it [2:33:01, 10.31s/it]
880it [2:33:11, 10.29s/it]
881it [2:33:21, 10.29s/it]
882it [2:33:31, 10.28s/it]
883it [2:33:42, 10.28s/it]
884it [2:33:52, 10.30s/it]
885it [2:34:02, 10.30s/it]
886it [2:34:13, 10.30s/it]
887it [2:34:23, 10.31s/it]
888it [2:34:33, 10.29s/it]
889it [2:34:44, 10.29s/it]
890it [2:34:54, 10.30s/it]
891it [2:35:04, 10.29s/it]
892it [2:35:14, 10.28s/it]
893it [2:35:25, 10.27s/it]
894it [2:35:35, 10.27s/it]
895it [2:35:45, 10.28s/it]
896it [2:35:55, 10.28s/it]
897it [2:36:06, 10.28s/it]
898it [2:36:16, 10.29s/it]
899it [2:36:26, 10.29s/it]
900it [2:36:37, 10.29s/it]
901it [2:36:47, 10.30s/it]
902it [2:36:57, 10.30s/it]
903it [2:37:08, 10.28s/it]
904it [2:37:18, 10.28s/it]
905it [2:37:28, 10.31s/it]
906it [2:37:39, 10.34s/it]
907it [2:37:49, 10.32s/it]
908it [2:37:59, 10.28s/it]
909it [2:38:09, 10.28s/it]
910it [2:38:20, 10.28s/it]
911it [2:38:30, 10.30s/it]
912it [2:38:40, 10.28s/it]
913it [2:38:50, 10.28s/it]
914it [2:39:01, 10.30s/it]
915it [2:39:11, 10.31s/it]
916it [2:39:22, 10.32s/it]
917it [2:39:32, 10.30s/it]
918it [2:39:42, 10.31s/it]
919it [2:39:52, 10.30s/it]
920it [2:40:03, 10.31s/it]
921it [2:40:13, 10.31s/it]
922it [2:40:23, 10.30s/it]
923it [2:40:34, 10.30s/it]
924it [2:40:44, 10.30s/it]
925it [2:40:54, 10.29s/it]
926it [2:41:04, 10.29s/it]
927it [2:41:15, 10.29s/it]
928it [2:41:25, 10.31s/it]
929it [2:41:35, 10.32s/it]
930it [2:41:46, 10.32s/it]
931it [2:41:56, 10.32s/it]
932it [2:42:06, 10.31s/it]
933it [2:42:17, 10.32s/it]
934it [2:42:27, 10.32s/it]
935it [2:42:37, 10.33s/it]
936it [2:42:48, 10.33s/it]
937it [2:42:58, 10.31s/it]
938it [2:43:08, 10.32s/it]
939it [2:43:19, 10.30s/it]
940it [2:43:29, 10.31s/it]
941it [2:43:39, 10.32s/it]
942it [2:43:50, 10.31s/it]
943it [2:44:00, 10.31s/it]
944it [2:44:10, 10.29s/it]
945it [2:44:20, 10.28s/it]
946it [2:44:31, 10.30s/it]
947it [2:44:41, 10.33s/it]
948it [2:44:51, 10.32s/it]
949it [2:45:02, 10.32s/it]
950it [2:45:12, 10.31s/it]
951it [2:45:22, 10.30s/it]
952it [2:45:33, 10.29s/it]
953it [2:45:43, 10.29s/it]
954it [2:45:53, 10.30s/it]
955it [2:46:03, 10.31s/it]
956it [2:46:14, 10.31s/it]
957it [2:46:24, 10.30s/it]
958it [2:46:34, 10.32s/it]
959it [2:46:45, 10.32s/it]
960it [2:46:55, 10.31s/it]
961it [2:47:05, 10.29s/it]
962it [2:47:16, 10.28s/it]
963it [2:47:26, 10.29s/it]
964it [2:47:36, 10.30s/it]
965it [2:47:46, 10.29s/it]
966it [2:47:57, 10.30s/it]
967it [2:48:07, 10.28s/it]
968it [2:48:17, 10.28s/it]
969it [2:48:28, 10.27s/it]
970it [2:48:38, 10.27s/it]
971it [2:48:48, 10.28s/it]
972it [2:48:58, 10.29s/it]
973it [2:49:09, 10.29s/it]
974it [2:49:19, 10.27s/it]
975it [2:49:29, 10.28s/it]
976it [2:49:40, 10.28s/it]
977it [2:49:50, 10.28s/it]
978it [2:50:00, 10.31s/it]
979it [2:50:10, 10.31s/it]
980it [2:50:21, 10.29s/it]
981it [2:50:31, 10.30s/it]
982it [2:50:41, 10.28s/it]
983it [2:50:52, 10.28s/it]
984it [2:51:02, 10.30s/it]
985it [2:51:12, 10.29s/it]
986it [2:51:22, 10.27s/it]
987it [2:51:33, 10.29s/it]
988it [2:51:43, 10.29s/it]
989it [2:51:53, 10.30s/it]
990it [2:52:04, 10.30s/it]
991it [2:52:14, 10.31s/it]
992it [2:52:24, 10.30s/it]
993it [2:52:35, 10.29s/it]
994it [2:52:45, 10.30s/it]
995it [2:52:55, 10.28s/it]
996it [2:53:05, 10.28s/it]
997it [2:53:16, 10.30s/it]
998it [2:53:26, 10.32s/it]
999it [2:53:36, 10.32s/it]
1000it [2:53:47, 10.31s/it]
1000it [2:53:47, 10.43s/it] |
|
Error counts: |
|
cyclic_id: 0 |
|
cyclic_inchikey: 0 |
|
cyclic_scaffold: 0 |
|
cyclic_mwt: 0 |
|
cyclic_clogp: 0 |
|
cyclic_tpsa: 0 |
|
⏰ Completed process in 8:29:29.037217 |
|
0it [00:00, ?it/s]
1it [00:00, 8.57it/s]
2it [00:00, 8.86it/s]
3it [00:00, 9.13it/s]
4it [00:00, 9.29it/s]
5it [00:00, 9.43it/s]
6it [00:00, 9.51it/s]
7it [00:00, 9.50it/s]
8it [00:00, 9.55it/s]
9it [00:00, 9.58it/s]
10it [00:01, 9.54it/s]
11it [00:01, 9.57it/s]
12it [00:01, 9.59it/s]
13it [00:01, 9.63it/s]
14it [00:01, 9.59it/s]
15it [00:01, 9.61it/s]
16it [00:01, 9.55it/s]
17it [00:01, 9.56it/s]
18it [00:01, 9.59it/s]
19it [00:01, 9.62it/s]
20it [00:02, 9.66it/s]
21it [00:02, 9.62it/s]
22it [00:02, 9.62it/s]
23it [00:02, 9.65it/s]
24it [00:02, 9.65it/s]
25it [00:02, 9.59it/s]
26it [00:02, 9.60it/s]
27it [00:02, 9.61it/s]
28it [00:02, 9.57it/s]
29it [00:03, 9.60it/s]
30it [00:03, 9.62it/s]
31it [00:03, 9.59it/s]
32it [00:03, 9.59it/s]
33it [00:03, 9.61it/s]
34it [00:03, 9.57it/s]
35it [00:03, 9.59it/s]
36it [00:03, 9.63it/s]
37it [00:03, 9.61it/s]
38it [00:03, 9.59it/s]
39it [00:04, 9.57it/s]
40it [00:04, 9.60it/s]
41it [00:04, 8.89it/s]
42it [00:04, 9.09it/s]
43it [00:04, 9.24it/s]
44it [00:04, 9.20it/s]
45it [00:04, 9.29it/s]
46it [00:04, 9.39it/s]
47it [00:04, 9.46it/s]
48it [00:05, 9.52it/s]
49it [00:05, 9.54it/s]
50it [00:05, 9.54it/s]
51it [00:05, 9.58it/s]
52it [00:05, 9.62it/s]
53it [00:05, 9.66it/s]
54it [00:05, 9.68it/s]
55it [00:05, 9.63it/s]
56it [00:05, 9.49it/s]
57it [00:05, 9.54it/s]
58it [00:06, 9.51it/s]
59it [00:06, 9.51it/s]
60it [00:06, 9.54it/s]
61it [00:06, 9.56it/s]
62it [00:06, 9.53it/s]
63it [00:06, 9.53it/s]
64it [00:06, 9.55it/s]
65it [00:06, 9.58it/s]
66it [00:06, 9.53it/s]
67it [00:07, 9.56it/s]
68it [00:07, 9.56it/s]
69it [00:07, 9.57it/s]
70it [00:07, 9.62it/s]
71it [00:07, 9.56it/s]
72it [00:07, 9.56it/s]
73it [00:07, 9.59it/s]
74it [00:07, 9.59it/s]
75it [00:07, 9.59it/s]
76it [00:07, 9.57it/s]
77it [00:08, 9.59it/s]
78it [00:08, 9.61it/s]
79it [00:08, 9.57it/s]
80it [00:08, 9.55it/s]
81it [00:08, 9.58it/s]
82it [00:08, 9.59it/s]
83it [00:08, 9.59it/s]
84it [00:08, 9.56it/s]
85it [00:08, 9.55it/s]
86it [00:09, 9.56it/s]
87it [00:09, 9.58it/s]
88it [00:09, 9.56it/s]
89it [00:09, 9.23it/s]
90it [00:09, 9.33it/s]
91it [00:09, 9.37it/s]
92it [00:09, 9.42it/s]
93it [00:09, 9.45it/s]
94it [00:09, 9.49it/s]
95it [00:09, 9.49it/s]
96it [00:10, 9.51it/s]
97it [00:10, 9.53it/s]
98it [00:10, 9.51it/s]
99it [00:10, 9.55it/s]
100it [00:10, 9.59it/s]
101it [00:10, 9.54it/s]
102it [00:10, 9.51it/s]
103it [00:10, 9.55it/s]
104it [00:10, 9.57it/s]
105it [00:11, 9.55it/s]
106it [00:11, 9.55it/s]
107it [00:11, 9.57it/s]
108it [00:11, 9.59it/s]
109it [00:11, 9.48it/s]
110it [00:11, 9.50it/s]
111it [00:11, 9.53it/s]
112it [00:11, 9.55it/s]
113it [00:11, 9.54it/s]
114it [00:11, 9.53it/s]
115it [00:12, 9.55it/s]
116it [00:12, 9.59it/s]
117it [00:12, 9.57it/s]
118it [00:12, 9.56it/s]
119it [00:12, 9.52it/s]
120it [00:12, 9.53it/s]
121it [00:12, 9.53it/s]
122it [00:12, 9.54it/s]
123it [00:12, 9.58it/s]
124it [00:13, 9.57it/s]
125it [00:13, 9.61it/s]
126it [00:13, 9.61it/s]
127it [00:13, 9.55it/s]
128it [00:13, 9.54it/s]
129it [00:13, 9.55it/s]
130it [00:13, 9.57it/s]
131it [00:13, 9.56it/s]
132it [00:13, 9.56it/s]
133it [00:13, 9.57it/s]
134it [00:14, 9.58it/s]
135it [00:14, 9.55it/s]
136it [00:14, 9.53it/s]
137it [00:14, 9.56it/s]
138it [00:14, 9.57it/s]
139it [00:14, 9.56it/s]
140it [00:14, 9.56it/s]
141it [00:14, 9.56it/s]
142it [00:14, 9.58it/s]
143it [00:15, 9.55it/s]
144it [00:15, 9.57it/s]
145it [00:15, 9.57it/s]
146it [00:15, 9.58it/s]
147it [00:15, 9.56it/s]
148it [00:15, 9.56it/s]
149it [00:15, 9.57it/s]
150it [00:15, 9.58it/s]
151it [00:15, 9.60it/s]
152it [00:15, 9.59it/s]
153it [00:16, 9.55it/s]
154it [00:16, 9.55it/s]
155it [00:16, 9.60it/s]
156it [00:16, 9.56it/s]
157it [00:16, 9.57it/s]
158it [00:16, 9.60it/s]
159it [00:16, 9.59it/s]
160it [00:16, 9.54it/s]
161it [00:16, 9.54it/s]
162it [00:16, 9.54it/s]
163it [00:17, 9.52it/s]
164it [00:17, 9.55it/s]
165it [00:17, 9.55it/s]
166it [00:17, 9.55it/s]
167it [00:17, 9.55it/s]
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|
Split counts: |
|
train: 674000 |
|
test: 164000 |
|
validation: 162000 |
|
⏰ Completed process in 8:31:15.269624 |
|
++ date |
|
+ echo 'Sat 2 Nov 00:25:46 GMT 2024 :: 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-4000000-5000000.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-4000000-5000000.csv.gz |
|
+ split_dir=20241101_peptides_6-12x100M/train |
|
++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-4000000-5000000.csv.gz .csv.gz |
|
+ split_file=20241101_peptides_6-12x100M/train/peptides_length-10_n-100000000_slice-4000000-5000000.csv.gz |
|
+ mkdir -p 20241101_peptides_6-12x100M/train |
|
++ date |
|
+ echo 'Sat 2 Nov 00:25:46 GMT 2024 :: Saving train...' |
|
Sat 2 Nov 00:25:46 GMT 2024 :: Saving train... |
|
+ zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-4000000-5000000.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 00:26:45 GMT 2024 :: 20241101_peptides_6-12x100M/train/peptides_length-10_n-100000000_slice-4000000-5000000.csv.gz' |
|
+ for split in train test validation |
|
++ dirname 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-4000000-5000000.csv.gz |
|
+ split_dir=20241101_peptides_6-12x100M/test |
|
++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-4000000-5000000.csv.gz .csv.gz |
|
+ split_file=20241101_peptides_6-12x100M/test/peptides_length-10_n-100000000_slice-4000000-5000000.csv.gz |
|
+ mkdir -p 20241101_peptides_6-12x100M/test |
|
++ date |
|
+ echo 'Sat 2 Nov 00:26:45 GMT 2024 :: Saving test...' |
|
Sat 2 Nov 00:26:45 GMT 2024 :: Saving test... |
|
+ zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-4000000-5000000.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 00:27:10 GMT 2024 :: 20241101_peptides_6-12x100M/test/peptides_length-10_n-100000000_slice-4000000-5000000.csv.gz' |
|
+ for split in train test validation |
|
++ dirname 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-4000000-5000000.csv.gz |
|
+ split_dir=20241101_peptides_6-12x100M/validation |
|
++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-4000000-5000000.csv.gz .csv.gz |
|
+ split_file=20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-4000000-5000000.csv.gz |
|
+ mkdir -p 20241101_peptides_6-12x100M/validation |
|
++ date |
|
+ echo 'Sat 2 Nov 00:27:10 GMT 2024 :: Saving validation...' |
|
Sat 2 Nov 00:27:10 GMT 2024 :: Saving validation... |
|
+ zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-4000000-5000000.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 00:27:36 GMT 2024 :: 20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-4000000-5000000.csv.gz' |
|
+ '[' -e 20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-4000000-5000000.csv.gz.success ']' |
|
+ rm 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-4000000-5000000.csv.gz 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-4000000-5000000.csv.gz.success |
|
+ set +x |
|
Sat 2 Nov 00:27:36 GMT 2024 > Peptide generation complete |
|
|
|
|
