cyc-pep-6-12mer-650M-2024 / 20241101_peptides_6-12x100M_l-10_n-100000000_slice-41000000-42000000.log
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Initial upload (#1)
21e4d66 verified
Fri 1 Nov 16:00:21 GMT 2024 > Generating peptides on cn032
GNU bash, version 4.4.20(1)-release (x86_64-redhat-linux-gnu)
Copyright (C) 2016 Free Software Foundation, Inc.
License GPLv3+: GNU GPL version 3 or later <http://gnu.org/licenses/gpl.html>
This is free software; you are free to change and redistribute it.
There is NO WARRANTY, to the extent permitted by law.
Fri 1 Nov 16:00:21 GMT 2024 > Running /camp/apps/eb/software/Anaconda3/2023.03/bin/python : Python 3.10.10
Fri 1 Nov 16:00:21 GMT 2024 > Using Conda from .
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Fri 1 Nov 16:00:21 GMT 2024 > Seed = 1; length = 10; max. number = 100000000; slice = 41000000 to 42000000; output dir. = 20241101_peptides_6-12x100M
Fri 1 Nov 16:00:21 GMT 2024 > There are 10240000000000 peptides of length 10; generating 100000000 (0.000976563 %)
Fri 1 Nov 16:00:21 GMT 2024 > Saving a slice to 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-41000000-42000000.csv.gz...
+ schemist enumerate --seed 1 --max-length 10 --prefix GY --suffix CGSGSGS --number 9.76563e-06 --slice 41000000 42000000
+ schemist convert --column cysteine_to_N_cyclization --to id inchikey scaffold mwt clogp tpsa --prefix cyclic_ --options prefix=SCB-
+ schemist react --column SMILES --reaction cysteine_to_N_cyclization
+ schemist split --type random --train 0.7 --test 0.15 --column cysteine_to_N_cyclization --seed 1
+ tr ' ' ,
+ schemist convert --column SMILES --to id inchikey scaffold mwt clogp tpsa --prefix linear_ --options prefix=SCB-
+ gzip --best
🚀 Reacting peptides with the following parameters:
subcommand: react
output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'>
format: None
input: <_io.TextIOWrapper name='<stdin>' mode='r' encoding='utf-8'>
representation: SMILES
column: SMILES
name: None
reaction: ['cysteine_to_N_cyclization']
func: <function _react at 0x7f65af5039c0>
🚀 Converting between string representations with the following parameters:
subcommand: convert
output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'>
format: None
input: <_io.TextIOWrapper name='<stdin>' mode='r' encoding='utf-8'>
representation: SMILES
column: SMILES
prefix: linear_
to: ['id', 'inchikey', 'scaffold', 'mwt', 'clogp', 'tpsa']
options: ['prefix=SCB-']
func: <function _convert at 0x7fd2d027b240>
🚀 Enumerating peptides with the following parameters:
subcommand: enumerate
output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'>
format: None
to: SMILES
options: None
alphabet: GALVITSMCPFYWHKRDENQ
max_length: 10
min_length: None
number: 9.76563e-06
slice: ['41000000', '42000000']
seed: 1
prefix: GY
suffix: CGSGSGS
type: aa
d_aa_only: False
include_d_aa: False
func: <function _enum at 0x7f6e7e303880>
Sampling 100000051 (0.000976562998046875 %) peptides from length 10 to 10 (10240000000000 combinations). Probability of collision if drawing randomly is 1.0, with 976.9924758407456 (0.000976991977574837 %) collisions on average.
> Executing naive sampling.
🚀 Converting between string representations with the following parameters:
subcommand: convert
output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'>
format: None
input: <_io.TextIOWrapper name='<stdin>' mode='r' encoding='utf-8'>
representation: SMILES
column: cysteine_to_N_cyclization
prefix: cyclic_
to: ['id', 'inchikey', 'scaffold', 'mwt', 'clogp', 'tpsa']
options: ['prefix=SCB-']
func: <function _convert at 0x7f125d4e7240>
🚀 Splitting table with the following parameters:
subcommand: split
output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'>
format: None
input: <_io.TextIOWrapper name='<stdin>' mode='r' encoding='utf-8'>
representation: SMILES
column: cysteine_to_N_cyclization
prefix: None
type: random
train: 0.7
test: 0.15
seed: 1
func: <function _split at 0x7f89e0fb74c0>
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1.59s/it] 918it [25:55, 1.60s/it] 919it [25:57, 1.62s/it] 920it [25:58, 1.62s/it] 921it [26:00, 1.62s/it] 922it [26:01, 1.62s/it] 923it [26:03, 1.62s/it] 924it [26:05, 1.62s/it] 925it [26:06, 1.61s/it] 926it [26:08, 1.63s/it] 927it [26:10, 1.64s/it] 928it [26:11, 1.65s/it] 929it [26:13, 1.63s/it] 930it [26:14, 1.62s/it] 931it [26:16, 1.61s/it] 932it [26:18, 1.61s/it] 933it [26:19, 1.61s/it] 934it [26:21, 1.61s/it] 935it [26:23, 1.63s/it] 936it [26:24, 1.65s/it] 937it [26:26, 1.64s/it] 938it [26:27, 1.64s/it] 939it [26:29, 1.64s/it] 940it [26:31, 1.64s/it] 941it [26:32, 1.62s/it] 942it [26:34, 1.62s/it] 943it [26:36, 1.61s/it] 944it [26:37, 1.61s/it] 945it [26:39, 1.61s/it] 946it [26:40, 1.59s/it] 947it [26:42, 1.57s/it] 948it [26:43, 1.57s/it] 949it [26:45, 1.58s/it] 950it [26:47, 1.56s/it] 951it [26:48, 1.58s/it] 952it [26:50, 1.59s/it] 953it [26:51, 1.59s/it] 954it [26:53, 1.58s/it] 955it [26:55, 1.59s/it] 956it [26:56, 1.59s/it] 957it [26:58, 1.60s/it] 958it [26:59, 1.64s/it] 959it [27:01, 1.64s/it] 960it [27:03, 1.65s/it] 961it [27:04, 1.65s/it] 962it [27:06, 1.65s/it] 963it [27:08, 1.65s/it] 964it [27:09, 1.64s/it] 965it [27:11, 1.63s/it] 966it [27:13, 1.63s/it] 967it [27:14, 1.63s/it] 968it [27:16, 1.64s/it] 969it [27:17, 1.63s/it] 970it [27:19, 1.63s/it] 971it [27:21, 1.60s/it] 972it [27:22, 1.60s/it] 973it [27:24, 1.60s/it] 974it [27:25, 1.61s/it] 975it [27:27, 1.62s/it] 976it [27:29, 1.63s/it] 977it [27:30, 1.63s/it] 978it [27:32, 1.65s/it] 979it [27:34, 1.64s/it] 980it [27:35, 1.64s/it] 981it [27:37, 1.64s/it] 982it [27:39, 1.64s/it] 983it [27:40, 1.64s/it] 984it [27:42, 1.65s/it] 985it [27:44, 1.66s/it] 986it [27:45, 1.65s/it] 987it [27:47, 1.65s/it] 988it [27:48, 1.63s/it] 989it [27:50, 1.61s/it] 990it [27:52, 1.59s/it] 991it [27:53, 1.60s/it] 992it [27:55, 1.59s/it] 993it [27:56, 1.58s/it] 994it [27:58, 1.57s/it] 995it [27:59, 1.58s/it] 996it [28:01, 1.58s/it] 997it [28:03, 1.57s/it] 998it [28:04, 1.56s/it] 999it [28:06, 1.56s/it] 1000it [28:07, 1.57s/it] 1000it [28:07, 1.69s/it]
Enumerated peptides:
Number of peptides: 1000000
Conversion errors:
SMILES: 0
Completed process in 0:28:07.825955
0it [00:00, ?it/s] 1it [00:13, 13.41s/it] 2it [00:26, 13.18s/it] 3it [00:39, 13.18s/it] 4it [00:52, 13.05s/it] 5it [01:05, 12.92s/it] 6it [01:17, 12.85s/it] 7it [01:31, 12.95s/it] 8it [01:44, 12.98s/it] 9it [01:57, 13.03s/it] 10it [02:10, 12.98s/it] 11it [02:22, 12.79s/it] 12it [02:35, 12.87s/it] 13it [02:48, 12.97s/it] 14it [03:01, 12.98s/it] 15it [03:14, 13.01s/it] 16it [03:27, 12.84s/it] 17it [03:39, 12.77s/it] 18it [03:53, 12.93s/it] 19it [04:06, 13.04s/it] 20it [04:19, 13.15s/it] 21it [04:33, 13.24s/it] 22it [04:46, 13.12s/it] 23it [04:58, 13.04s/it] 24it [05:12, 13.30s/it] 25it [05:26, 13.40s/it] 26it [05:40, 13.46s/it] 27it [05:53, 13.44s/it] 28it [06:06, 13.30s/it] 29it [06:19, 13.23s/it] 30it [06:33, 13.36s/it] 31it [06:46, 13.40s/it] 32it [07:00, 13.43s/it] 33it [07:13, 13.39s/it] 34it [07:26, 13.27s/it] 35it [07:40, 13.44s/it] 36it [07:54, 13.52s/it] 37it [08:07, 13.49s/it] 38it [08:21, 13.56s/it] 39it [08:34, 13.45s/it] 40it [08:47, 13.36s/it] 41it [09:00, 13.30s/it] 42it [09:14, 13.33s/it] 43it [09:27, 13.35s/it] 44it [09:40, 13.27s/it] 45it [09:53, 13.24s/it] 46it [10:06, 13.25s/it] 47it [10:20, 13.28s/it] 48it [10:33, 13.28s/it] 49it [10:46, 13.23s/it] 50it [10:59, 13.20s/it] 51it [11:12, 13.17s/it] 52it [11:26, 13.18s/it] 53it [11:39, 13.16s/it] 54it [11:52, 13.23s/it] 55it [12:06, 13.31s/it] 56it [12:19, 13.25s/it] 57it [12:32, 13.19s/it] 58it [12:45, 13.23s/it] 59it [12:58, 13.24s/it] 60it [13:12, 13.30s/it] 61it [13:25, 13.36s/it] 62it [13:39, 13.30s/it] 63it [13:51, 13.15s/it] 64it [14:04, 13.12s/it] 65it [14:17, 13.03s/it] 66it [14:30, 13.06s/it] 67it [14:44, 13.12s/it] 68it [14:57, 13.15s/it] 69it [15:10, 13.07s/it] 70it [15:23, 13.08s/it] 71it [15:36, 13.08s/it] 72it [15:49, 13.16s/it] 73it [16:03, 13.36s/it] 74it [16:17, 13.50s/it] 75it [16:31, 13.77s/it] 76it [16:46, 13.95s/it] 77it [17:00, 14.08s/it] 78it [17:14, 14.07s/it] 79it [17:27, 13.63s/it] 80it [17:40, 13.62s/it] 81it [17:55, 13.88s/it] 82it [18:09, 14.02s/it] 83it [18:23, 13.94s/it] 84it [18:37, 13.97s/it] 85it [18:51, 13.94s/it] 86it [19:05, 14.00s/it] 87it [19:19, 13.94s/it] 88it [19:32, 13.90s/it] 89it [19:47, 13.94s/it] 90it [20:00, 13.75s/it] 91it [20:13, 13.56s/it] 92it [20:27, 13.64s/it] 93it [20:41, 13.84s/it] 94it [20:55, 13.85s/it] 95it [21:09, 13.89s/it] 96it [21:22, 13.75s/it] 97it [21:36, 13.84s/it] 98it [21:51, 13.97s/it] 99it [22:04, 13.81s/it] 100it [22:18, 13.85s/it] 101it [22:32, 13.86s/it] 102it [22:45, 13.76s/it] 103it [23:00, 13.95s/it] 104it [23:14, 14.10s/it] 105it [23:29, 14.14s/it] 106it [23:42, 14.04s/it] 107it [23:55, 13.65s/it] 108it [24:08, 13.56s/it] 109it [24:22, 13.56s/it] 110it [24:35, 13.50s/it] 111it [24:49, 13.44s/it] 112it [25:01, 13.24s/it] 113it [25:14, 12.96s/it] 114it [25:27, 13.12s/it] 115it [25:41, 13.27s/it] 116it [25:54, 13.35s/it] 117it [26:08, 13.32s/it] 118it [26:20, 13.12s/it] 119it [26:33, 12.99s/it] 120it [26:46, 13.06s/it] 121it [26:59, 13.12s/it] 122it [27:13, 13.25s/it] 123it [27:26, 13.28s/it] 124it [27:39, 13.15s/it] 125it [27:52, 13.14s/it] 126it [28:06, 13.27s/it] 127it [28:19, 13.31s/it] 128it [28:33, 13.46s/it] 129it [28:46, 13.38s/it] 130it [28:59, 13.17s/it] 131it [29:13, 13.29s/it] 132it [29:26, 13.46s/it] 133it [29:40, 13.53s/it] 134it [29:54, 13.58s/it] 135it [30:07, 13.39s/it] 136it [30:19, 13.20s/it] 137it [30:33, 13.27s/it] 138it [30:47, 13.41s/it] 139it [31:00, 13.42s/it] 140it [31:13, 13.24s/it] 141it [31:26, 13.14s/it] 142it [31:39, 13.20s/it] 143it [31:51, 12.93s/it] 144it [32:04, 12.89s/it] 145it [32:17, 12.84s/it] 146it [32:30, 12.95s/it] 147it [32:44, 13.09s/it] 148it [32:57, 13.05s/it] 149it [33:09, 13.01s/it] 150it [33:23, 13.06s/it] 151it [33:36, 13.16s/it] 152it [33:50, 13.25s/it] 153it [34:03, 13.21s/it] 154it [34:15, 13.10s/it] 155it [34:28, 12.96s/it] 156it [34:41, 12.86s/it] 157it [34:54, 12.84s/it] 158it [35:07, 12.97s/it] 159it [35:20, 13.13s/it] 160it [35:33, 13.10s/it] 161it [35:46, 13.11s/it] 162it [36:00, 13.10s/it] 163it [36:13, 13.14s/it] 164it [36:26, 13.26s/it] 165it [36:39, 13.16s/it] 166it [36:52, 13.01s/it] 167it [37:05, 13.01s/it] 168it [37:18, 12.95s/it] 169it [37:31, 12.92s/it] 170it [37:44, 13.00s/it] 171it [37:57, 12.99s/it] 172it [38:10, 13.01s/it] 173it [38:23, 13.03s/it] 174it [38:36, 13.03s/it] 175it [38:49, 12.99s/it] 176it [39:02, 12.94s/it] 177it [39:15, 13.06s/it] 178it [39:28, 13.15s/it] 179it [39:41, 13.04s/it] 180it [39:54, 13.04s/it] 181it [40:07, 12.97s/it] 182it [40:20, 12.87s/it] 183it [40:32, 12.87s/it] 184it [40:45, 12.86s/it] 185it [40:58, 12.83s/it] 186it [41:11, 12.84s/it] 187it [41:24, 12.86s/it] 188it [41:37, 12.86s/it] 189it [41:49, 12.84s/it] 190it [42:02, 12.83s/it] 191it [42:15, 12.80s/it] 192it [42:28, 12.81s/it] 193it [42:40, 12.74s/it] 194it [42:53, 12.66s/it] 195it [43:06, 12.66s/it] 196it [43:18, 12.67s/it] 197it [43:31, 12.70s/it] 198it [43:44, 12.74s/it] 199it [43:57, 12.83s/it] 200it [44:10, 12.91s/it] 201it [44:23, 12.91s/it] 202it [44:35, 12.76s/it] 203it [44:48, 12.67s/it] 204it [45:00, 12.64s/it] 205it [45:13, 12.55s/it] 206it [45:25, 12.45s/it] 207it [45:38, 12.56s/it] 208it [45:51, 12.70s/it] 209it [46:04, 12.81s/it] 210it [46:17, 12.84s/it] 211it [46:29, 12.81s/it] 212it [46:42, 12.83s/it] 213it [46:55, 12.88s/it] 214it [47:08, 12.93s/it] 215it [47:21, 12.93s/it] 216it [47:34, 12.89s/it] 217it [47:47, 12.79s/it] 218it [47:59, 12.72s/it] 219it [48:12, 12.70s/it] 220it [48:24, 12.62s/it] 221it [48:37, 12.57s/it] 222it [48:49, 12.45s/it] 223it [49:01, 12.43s/it] 224it [49:14, 12.42s/it] 225it [49:26, 12.39s/it] 226it [49:38, 12.35s/it] 227it [49:51, 12.33s/it] 228it [50:03, 12.31s/it] 229it [50:15, 12.29s/it] 230it [50:28, 12.36s/it] 231it [50:40, 12.48s/it] 232it [50:53, 12.50s/it] 233it [51:05, 12.43s/it] 234it [51:18, 12.42s/it] 235it [51:30, 12.35s/it] 236it [51:42, 12.33s/it] 237it [51:54, 12.32s/it] 238it [52:07, 12.34s/it] 239it [52:19, 12.30s/it] 240it [52:31, 12.31s/it] 241it [52:44, 12.38s/it] 242it [52:56, 12.39s/it] 243it [53:09, 12.39s/it] 244it [53:21, 12.39s/it] 245it [53:33, 12.35s/it] 246it [53:45, 12.30s/it] 247it [53:57, 12.15s/it] 248it [54:09, 11.99s/it] 249it [54:21, 11.94s/it] 250it [54:33, 12.03s/it] 251it [54:45, 12.15s/it] 252it [54:58, 12.21s/it] 253it [55:10, 12.31s/it] 254it [55:23, 12.32s/it] 255it [55:35, 12.32s/it] 256it [55:47, 12.26s/it] 257it [55:59, 12.30s/it] 258it [56:12, 12.37s/it] 259it [56:24, 12.36s/it] 260it [56:37, 12.39s/it] 261it [56:49, 12.34s/it] 262it [57:01, 12.33s/it] 263it [57:14, 12.33s/it] 264it [57:26, 12.32s/it] 265it [57:38, 12.33s/it] 266it [57:51, 12.34s/it] 267it [58:03, 12.32s/it] 268it [58:15, 12.26s/it] 269it [58:27, 12.26s/it] 270it [58:40, 12.28s/it] 271it [58:52, 12.31s/it] 272it [59:04, 12.34s/it] 273it [59:17, 12.28s/it] 274it [59:29, 12.31s/it] 275it [59:41, 12.28s/it] 276it [59:53, 12.27s/it] 277it [1:00:06, 12.26s/it] 278it [1:00:18, 12.24s/it] 279it [1:00:30, 12.24s/it] 280it [1:00:42, 12.28s/it] 281it [1:00:55, 12.33s/it] 282it [1:01:07, 12.32s/it] 283it [1:01:19, 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10.92s/it] 839it [2:48:57, 10.96s/it] 840it [2:49:08, 11.01s/it] 841it [2:49:19, 10.99s/it] 842it [2:49:30, 11.02s/it] 843it [2:49:41, 11.03s/it] 844it [2:49:52, 11.04s/it] 845it [2:50:03, 11.03s/it] 846it [2:50:14, 11.01s/it] 847it [2:50:25, 11.00s/it] 848it [2:50:36, 10.98s/it] 849it [2:50:47, 10.94s/it] 850it [2:50:58, 10.95s/it] 851it [2:51:08, 10.94s/it] 852it [2:51:19, 10.96s/it] 853it [2:51:30, 10.97s/it] 854it [2:51:41, 10.93s/it] 855it [2:51:52, 10.92s/it] 856it [2:52:03, 10.95s/it] 857it [2:52:14, 10.96s/it] 858it [2:52:25, 10.92s/it] 859it [2:52:36, 10.94s/it] 860it [2:52:47, 10.94s/it] 861it [2:52:58, 10.93s/it] 862it [2:53:09, 10.98s/it] 863it [2:53:20, 10.94s/it] 864it [2:53:31, 10.90s/it] 865it [2:53:41, 10.89s/it] 866it [2:53:52, 10.91s/it] 867it [2:54:03, 10.86s/it] 868it [2:54:14, 10.82s/it] 869it [2:54:25, 10.81s/it] 870it [2:54:36, 10.81s/it] 871it [2:54:46, 10.85s/it] 872it [2:54:57, 10.88s/it] 873it [2:55:09, 10.96s/it] 874it [2:55:20, 11.00s/it] 875it [2:55:31, 10.98s/it] 876it [2:55:42, 11.01s/it] 877it [2:55:53, 11.02s/it] 878it [2:56:04, 11.04s/it] 879it [2:56:15, 11.05s/it] 880it [2:56:26, 11.03s/it] 881it [2:56:37, 11.02s/it] 882it [2:56:48, 10.98s/it] 883it [2:56:59, 10.97s/it] 884it [2:57:10, 10.99s/it] 885it [2:57:21, 11.00s/it] 886it [2:57:32, 11.01s/it] 887it [2:57:43, 11.01s/it] 888it [2:57:54, 11.03s/it] 889it [2:58:05, 11.04s/it] 890it [2:58:16, 11.07s/it] 891it [2:58:27, 11.09s/it] 892it [2:58:38, 11.07s/it] 893it [2:58:49, 11.04s/it] 894it [2:59:00, 11.03s/it] 895it [2:59:11, 11.05s/it] 896it [2:59:22, 11.04s/it] 897it [2:59:33, 11.02s/it] 898it [2:59:44, 11.01s/it] 899it [2:59:55, 11.01s/it] 900it [3:00:06, 11.05s/it] 901it [3:00:17, 11.03s/it] 902it [3:00:28, 11.03s/it] 903it [3:00:40, 11.07s/it] 904it [3:00:50, 11.02s/it] 905it [3:01:01, 11.01s/it] 906it [3:01:12, 11.00s/it] 907it [3:01:23, 11.01s/it] 908it [3:01:34, 11.01s/it] 909it [3:01:46, 11.01s/it] 910it [3:01:57, 11.01s/it] 911it [3:02:07, 10.97s/it] 912it [3:02:18, 10.96s/it] 913it [3:02:29, 10.91s/it] 914it [3:02:40, 10.91s/it] 915it [3:02:51, 10.93s/it] 916it [3:03:02, 10.94s/it] 917it [3:03:13, 10.96s/it] 918it [3:03:24, 10.88s/it] 919it [3:03:35, 10.93s/it] 920it [3:03:46, 10.91s/it] 921it [3:03:56, 10.91s/it] 922it [3:04:07, 10.92s/it] 923it [3:04:18, 10.90s/it] 924it [3:04:29, 10.91s/it] 925it [3:04:40, 10.91s/it] 926it [3:04:51, 10.92s/it] 927it [3:05:02, 10.91s/it] 928it [3:05:13, 10.89s/it] 929it [3:05:24, 10.89s/it] 930it [3:05:35, 10.89s/it] 931it [3:05:45, 10.90s/it] 932it [3:05:56, 10.88s/it] 933it [3:06:07, 10.91s/it] 934it [3:06:18, 10.90s/it] 935it [3:06:29, 10.90s/it] 936it [3:06:40, 10.92s/it] 937it [3:06:51, 10.90s/it] 938it [3:07:02, 10.91s/it] 939it [3:07:13, 10.89s/it] 940it [3:07:24, 10.90s/it] 941it [3:07:34, 10.88s/it] 942it [3:07:45, 10.85s/it] 943it [3:07:56, 10.87s/it] 944it [3:08:07, 10.90s/it] 945it [3:08:18, 10.92s/it] 946it [3:08:29, 10.91s/it] 947it [3:08:40, 10.89s/it] 948it [3:08:51, 10.90s/it] 949it [3:09:02, 10.88s/it] 950it [3:09:12, 10.90s/it] 951it [3:09:23, 10.91s/it] 952it [3:09:34, 10.84s/it] 953it [3:09:45, 10.87s/it] 954it [3:09:56, 10.86s/it] 955it [3:10:07, 10.87s/it] 956it [3:10:18, 10.87s/it] 957it [3:10:29, 10.88s/it] 958it [3:10:40, 10.91s/it] 959it [3:10:50, 10.87s/it] 960it [3:11:01, 10.89s/it] 961it [3:11:12, 10.86s/it] 962it [3:11:23, 10.87s/it] 963it [3:11:34, 10.86s/it] 964it [3:11:45, 10.84s/it] 965it [3:11:56, 10.87s/it] 966it [3:12:06, 10.86s/it] 967it [3:12:17, 10.85s/it] 968it [3:12:28, 10.83s/it] 969it [3:12:39, 10.81s/it] 970it [3:12:50, 10.82s/it] 971it [3:13:00, 10.82s/it] 972it [3:13:11, 10.85s/it] 973it [3:13:22, 10.85s/it] 974it [3:13:33, 10.89s/it] 975it [3:13:44, 10.89s/it] 976it [3:13:55, 10.84s/it] 977it [3:14:06, 10.84s/it] 978it [3:14:16, 10.82s/it] 979it [3:14:27, 10.85s/it] 980it [3:14:38, 10.84s/it] 981it [3:14:49, 10.84s/it] 982it [3:15:00, 10.84s/it] 983it [3:15:11, 10.84s/it] 984it [3:15:22, 10.86s/it] 985it [3:15:32, 10.85s/it] 986it [3:15:43, 10.84s/it] 987it [3:15:54, 10.83s/it] 988it [3:16:05, 10.82s/it] 989it [3:16:16, 10.82s/it] 990it [3:16:26, 10.80s/it] 991it [3:16:37, 10.78s/it] 992it [3:16:48, 10.75s/it] 993it [3:16:59, 10.75s/it] 994it [3:17:09, 10.77s/it] 995it [3:17:20, 10.77s/it] 996it [3:17:31, 10.78s/it] 997it [3:17:42, 10.78s/it] 998it [3:17:52, 10.78s/it] 999it [3:18:03, 10.78s/it] 1000it [3:18:14, 10.79s/it] 1000it [3:18:14, 11.89s/it]
Error counts:
linear_id: 0
linear_inchikey: 0
linear_scaffold: 0
linear_mwt: 0
linear_clogp: 0
linear_tpsa: 0
Completed process in 3:46:28.987019
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8.38s/it] 611it [1:27:58, 8.38s/it] 612it [1:28:07, 8.41s/it] 613it [1:28:15, 8.42s/it] 614it [1:28:24, 8.41s/it] 615it [1:28:32, 8.43s/it] 616it [1:28:41, 8.42s/it] 617it [1:28:49, 8.43s/it] 618it [1:28:57, 8.44s/it] 619it [1:29:06, 8.46s/it] 620it [1:29:14, 8.45s/it] 621it [1:29:23, 8.43s/it] 622it [1:29:31, 8.40s/it] 623it [1:29:39, 8.38s/it] 624it [1:29:48, 8.36s/it] 625it [1:29:56, 8.33s/it] 626it [1:30:04, 8.32s/it] 627it [1:30:13, 8.32s/it] 628it [1:30:21, 8.35s/it] 629it [1:30:29, 8.36s/it] 630it [1:30:38, 8.36s/it] 631it [1:30:46, 8.36s/it] 632it [1:30:54, 8.35s/it] 633it [1:31:03, 8.34s/it] 634it [1:31:11, 8.33s/it] 635it [1:31:19, 8.34s/it] 636it [1:31:28, 8.36s/it] 637it [1:31:36, 8.35s/it] 638it [1:31:44, 8.34s/it] 639it [1:31:53, 8.34s/it] 640it [1:32:01, 8.36s/it] 641it [1:32:10, 8.35s/it] 642it [1:32:18, 8.36s/it] 643it [1:32:26, 8.33s/it] 644it [1:32:35, 8.33s/it] 645it [1:32:43, 8.34s/it] 646it [1:32:51, 8.34s/it] 647it [1:33:00, 8.34s/it] 648it [1:33:08, 8.34s/it] 649it [1:33:16, 8.34s/it] 650it [1:33:25, 8.32s/it] 651it [1:33:33, 8.32s/it] 652it [1:33:41, 8.33s/it] 653it [1:33:50, 8.35s/it] 654it [1:33:58, 8.34s/it] 655it [1:34:06, 8.35s/it] 656it [1:34:15, 8.34s/it] 657it [1:34:23, 8.35s/it] 658it [1:34:32, 8.43s/it] 659it [1:34:40, 8.44s/it] 660it [1:34:49, 8.44s/it] 661it [1:34:57, 8.44s/it] 662it [1:35:05, 8.43s/it] 663it [1:35:14, 8.42s/it] 664it [1:35:22, 8.43s/it] 665it [1:35:31, 8.43s/it] 666it [1:35:39, 8.44s/it] 667it [1:35:48, 8.45s/it] 668it [1:35:56, 8.44s/it] 669it [1:36:04, 8.44s/it] 670it [1:36:13, 8.45s/it] 671it [1:36:21, 8.45s/it] 672it [1:36:30, 8.46s/it] 673it [1:36:38, 8.49s/it] 674it [1:36:47, 8.45s/it] 675it [1:36:55, 8.42s/it] 676it [1:37:03, 8.41s/it] 677it [1:37:12, 8.43s/it] 678it [1:37:20, 8.41s/it] 679it [1:37:29, 8.42s/it] 680it [1:37:37, 8.39s/it] 681it [1:37:45, 8.39s/it] 682it [1:37:54, 8.40s/it] 683it [1:38:02, 8.39s/it] 684it [1:38:11, 8.40s/it] 685it [1:38:19, 8.39s/it] 686it [1:38:27, 8.38s/it] 687it [1:38:36, 8.38s/it] 688it [1:38:44, 8.39s/it] 689it [1:38:53, 8.39s/it] 690it [1:39:01, 8.38s/it] 691it [1:39:09, 8.38s/it] 692it [1:39:18, 8.39s/it] 693it [1:39:26, 8.39s/it] 694it [1:39:35, 8.39s/it] 695it [1:39:43, 8.38s/it] 696it [1:39:51, 8.37s/it] 697it [1:40:00, 8.40s/it] 698it [1:40:08, 8.39s/it] 699it [1:40:16, 8.40s/it] 700it [1:40:25, 8.41s/it] 701it [1:40:33, 8.42s/it] 702it [1:40:42, 8.40s/it] 703it [1:40:50, 8.39s/it] 704it [1:40:58, 8.38s/it] 705it [1:41:07, 8.37s/it] 706it [1:41:15, 8.38s/it] 707it [1:41:24, 8.39s/it] 708it [1:41:32, 8.39s/it] 709it [1:41:40, 8.38s/it] 710it [1:41:49, 8.39s/it] 711it [1:41:57, 8.38s/it] 712it [1:42:06, 8.40s/it] 713it [1:42:14, 8.39s/it] 714it [1:42:22, 8.40s/it] 715it [1:42:31, 8.39s/it] 716it [1:42:39, 8.38s/it] 717it [1:42:48, 8.39s/it] 718it [1:42:56, 8.39s/it] 719it [1:43:04, 8.39s/it] 720it [1:43:13, 8.39s/it] 721it [1:43:21, 8.37s/it] 722it [1:43:29, 8.38s/it] 723it [1:43:38, 8.37s/it] 724it [1:43:46, 8.39s/it] 725it [1:43:55, 8.39s/it] 726it [1:44:03, 8.38s/it] 727it [1:44:11, 8.39s/it] 728it [1:44:20, 8.38s/it] 729it [1:44:28, 8.39s/it] 730it [1:44:37, 8.40s/it] 731it [1:44:45, 8.37s/it] 732it [1:44:53, 8.35s/it] 733it [1:45:01, 8.34s/it] 734it [1:45:10, 8.32s/it] 735it [1:45:18, 8.32s/it] 736it [1:45:26, 8.33s/it] 737it [1:45:35, 8.34s/it] 738it [1:45:43, 8.34s/it] 739it [1:45:51, 8.34s/it] 740it [1:46:00, 8.33s/it] 741it [1:46:08, 8.36s/it] 742it [1:46:17, 8.36s/it] 743it [1:46:25, 8.36s/it] 744it [1:46:33, 8.35s/it] 745it [1:46:42, 8.34s/it] 746it [1:46:50, 8.34s/it] 747it [1:46:58, 8.40s/it] 748it [1:47:07, 8.38s/it] 749it [1:47:15, 8.41s/it] 750it [1:47:24, 8.42s/it] 751it [1:47:32, 8.44s/it] 752it [1:47:41, 8.44s/it] 753it [1:47:49, 8.45s/it] 754it [1:47:58, 8.49s/it] 755it [1:48:06, 8.51s/it] 756it [1:48:15, 8.47s/it] 757it [1:48:23, 8.47s/it] 758it [1:48:32, 8.50s/it] 759it [1:48:40, 8.50s/it] 760it [1:48:49, 8.52s/it] 761it [1:48:57, 8.57s/it] 762it [1:49:06, 8.58s/it] 763it [1:49:15, 8.57s/it] 764it [1:49:23, 8.53s/it] 765it [1:49:31, 8.49s/it] 766it [1:49:40, 8.47s/it] 767it [1:49:48, 8.47s/it] 768it [1:49:57, 8.55s/it] 769it [1:50:06, 8.59s/it] 770it [1:50:14, 8.63s/it] 771it [1:50:23, 8.61s/it] 772it [1:50:32, 8.59s/it] 773it [1:50:40, 8.59s/it] 774it [1:50:49, 8.58s/it] 775it [1:50:57, 8.59s/it] 776it [1:51:06, 8.59s/it] 777it [1:51:15, 8.62s/it] 778it [1:51:23, 8.64s/it] 779it [1:51:32, 8.66s/it] 780it [1:51:41, 8.66s/it] 781it [1:51:49, 8.67s/it] 782it [1:51:58, 8.66s/it] 783it [1:52:07, 8.66s/it] 784it [1:52:15, 8.65s/it] 785it [1:52:24, 8.63s/it] 786it [1:52:32, 8.62s/it] 787it [1:52:41, 8.58s/it] 788it [1:52:50, 8.60s/it] 789it [1:52:58, 8.63s/it] 790it [1:53:07, 8.63s/it] 791it [1:53:15, 8.61s/it] 792it [1:53:24, 8.60s/it] 793it [1:53:33, 8.59s/it] 794it [1:53:41, 8.58s/it] 795it [1:53:50, 8.61s/it] 796it [1:53:58, 8.59s/it] 797it [1:54:07, 8.61s/it] 798it [1:54:16, 8.63s/it] 799it [1:54:24, 8.66s/it] 800it [1:54:33, 8.69s/it] 801it [1:54:42, 8.73s/it] 802it [1:54:51, 8.75s/it] 803it [1:55:00, 8.76s/it] 804it [1:55:08, 8.76s/it] 805it [1:55:17, 8.77s/it] 806it [1:55:26, 8.79s/it] 807it [1:55:35, 8.81s/it] 808it [1:55:44, 8.81s/it] 809it [1:55:52, 8.80s/it] 810it [1:56:01, 8.80s/it] 811it [1:56:10, 8.78s/it] 812it [1:56:19, 8.77s/it] 813it [1:56:27, 8.78s/it] 814it [1:56:36, 8.78s/it] 815it [1:56:45, 8.76s/it] 816it [1:56:54, 8.77s/it] 817it [1:57:03, 8.77s/it] 818it [1:57:11, 8.76s/it] 819it [1:57:20, 8.78s/it] 820it [1:57:29, 8.77s/it] 821it [1:57:38, 8.77s/it] 822it [1:57:46, 8.78s/it] 823it [1:57:55, 8.78s/it] 824it [1:58:04, 8.78s/it] 825it [1:58:13, 8.79s/it] 826it [1:58:22, 8.78s/it] 827it [1:58:30, 8.74s/it] 828it [1:58:39, 8.75s/it] 829it [1:58:48, 8.76s/it] 830it [1:58:57, 8.77s/it] 831it [1:59:05, 8.75s/it] 832it [1:59:14, 8.80s/it] 833it [1:59:23, 8.78s/it] 834it [1:59:32, 8.76s/it] 835it [1:59:40, 8.78s/it] 836it [1:59:49, 8.79s/it] 837it [1:59:58, 8.81s/it] 838it [2:00:07, 8.79s/it] 839it [2:00:16, 8.81s/it] 840it [2:00:25, 8.81s/it] 841it [2:00:33, 8.78s/it] 842it [2:00:42, 8.80s/it] 843it [2:00:51, 8.81s/it] 844it [2:01:00, 8.80s/it] 845it [2:01:09, 8.82s/it] 846it [2:01:17, 8.84s/it] 847it [2:01:26, 8.86s/it] 848it [2:01:35, 8.88s/it] 849it [2:01:44, 8.88s/it] 850it [2:01:53, 8.87s/it] 851it [2:02:02, 8.87s/it] 852it [2:02:11, 8.88s/it] 853it [2:02:20, 8.88s/it] 854it [2:02:28, 8.83s/it] 855it [2:02:37, 8.76s/it] 856it [2:02:46, 8.78s/it] 857it [2:02:54, 8.73s/it] 858it [2:03:03, 8.72s/it] 859it [2:03:12, 8.73s/it] 860it [2:03:20, 8.69s/it] 861it [2:03:29, 8.71s/it] 862it [2:03:38, 8.70s/it] 863it [2:03:46, 8.66s/it] 864it [2:03:55, 8.65s/it] 865it [2:04:04, 8.64s/it] 866it [2:04:12, 8.65s/it] 867it [2:04:21, 8.65s/it] 868it [2:04:30, 8.66s/it] 869it [2:04:38, 8.64s/it] 870it [2:04:47, 8.63s/it] 871it [2:04:55, 8.59s/it] 872it [2:05:04, 8.58s/it] 873it [2:05:13, 8.59s/it] 874it [2:05:21, 8.60s/it] 875it [2:05:30, 8.59s/it] 876it [2:05:39, 8.64s/it] 877it [2:05:47, 8.67s/it] 878it [2:05:56, 8.68s/it] 879it [2:06:05, 8.68s/it] 880it [2:06:13, 8.65s/it] 881it [2:06:22, 8.62s/it] 882it [2:06:30, 8.58s/it] 883it [2:06:39, 8.59s/it] 884it [2:06:47, 8.58s/it] 885it [2:06:56, 8.59s/it] 886it [2:07:05, 8.59s/it] 887it [2:07:13, 8.61s/it] 888it [2:07:22, 8.71s/it] 889it [2:07:31, 8.75s/it] 890it [2:07:40, 8.77s/it] 891it [2:07:49, 8.77s/it] 892it [2:07:58, 8.81s/it] 893it [2:08:06, 8.82s/it] 894it [2:08:15, 8.81s/it] 895it [2:08:24, 8.79s/it] 896it [2:08:33, 8.76s/it] 897it [2:08:41, 8.72s/it] 898it [2:08:50, 8.73s/it] 899it [2:08:59, 8.73s/it] 900it [2:09:08, 8.74s/it] 901it [2:09:16, 8.74s/it] 902it [2:09:25, 8.77s/it] 903it [2:09:34, 8.80s/it] 904it [2:09:43, 8.76s/it] 905it [2:09:51, 8.77s/it] 906it [2:10:00, 8.82s/it] 907it [2:10:09, 8.87s/it] 908it [2:10:18, 8.78s/it] 909it [2:10:27, 8.72s/it] 910it [2:10:35, 8.66s/it] 911it [2:10:43, 8.60s/it] 912it [2:10:52, 8.60s/it] 913it [2:11:00, 8.53s/it] 914it [2:11:09, 8.52s/it] 915it [2:11:17, 8.52s/it] 916it [2:11:26, 8.52s/it] 917it [2:11:35, 8.52s/it] 918it [2:11:43, 8.55s/it] 919it [2:11:52, 8.56s/it] 920it [2:12:00, 8.56s/it] 921it [2:12:09, 8.54s/it] 922it [2:12:17, 8.53s/it] 923it [2:12:26, 8.54s/it] 924it [2:12:34, 8.54s/it] 925it [2:12:43, 8.55s/it] 926it [2:12:51, 8.54s/it] 927it [2:13:00, 8.55s/it] 928it [2:13:09, 8.55s/it] 929it [2:13:17, 8.55s/it] 930it [2:13:26, 8.58s/it] 931it [2:13:34, 8.56s/it] 932it [2:13:43, 8.55s/it] 933it [2:13:51, 8.54s/it] 934it [2:14:00, 8.52s/it] 935it [2:14:08, 8.50s/it] 936it [2:14:17, 8.50s/it] 937it [2:14:25, 8.55s/it] 938it [2:14:34, 8.57s/it] 939it [2:14:43, 8.59s/it] 940it [2:14:51, 8.60s/it] 941it [2:15:00, 8.61s/it] 942it [2:15:09, 8.63s/it] 943it [2:15:17, 8.63s/it] 944it [2:15:26, 8.68s/it] 945it [2:15:35, 8.73s/it] 946it [2:15:44, 8.81s/it] 947it [2:15:53, 8.85s/it] 948it [2:16:02, 8.91s/it] 949it [2:16:11, 8.91s/it] 950it [2:16:19, 8.84s/it] 951it [2:16:29, 8.89s/it] 952it [2:16:38, 8.96s/it] 953it [2:16:47, 9.07s/it] 954it [2:16:56, 9.11s/it] 955it [2:17:05, 9.14s/it] 956it [2:17:15, 9.15s/it] 957it [2:17:24, 9.13s/it] 958it [2:17:33, 9.09s/it] 959it [2:17:42, 9.04s/it] 960it [2:17:51, 9.02s/it] 961it [2:17:59, 8.98s/it] 962it [2:18:08, 8.98s/it] 963it [2:18:17, 8.99s/it] 964it [2:18:26, 8.99s/it] 965it [2:18:35, 8.98s/it] 966it [2:18:44, 8.97s/it] 967it [2:18:53, 8.94s/it] 968it [2:19:02, 8.92s/it] 969it [2:19:11, 8.95s/it] 970it [2:19:20, 8.98s/it] 971it [2:19:29, 8.96s/it] 972it [2:19:38, 8.95s/it] 973it [2:19:47, 8.96s/it] 974it [2:19:56, 8.97s/it] 975it [2:20:05, 9.00s/it] 976it [2:20:14, 8.99s/it] 977it [2:20:23, 8.96s/it] 978it [2:20:32, 8.90s/it] 979it [2:20:40, 8.90s/it] 980it [2:20:49, 8.90s/it] 981it [2:20:58, 8.88s/it] 982it [2:21:07, 8.85s/it] 983it [2:21:16, 8.83s/it] 984it [2:21:25, 8.79s/it] 985it [2:21:33, 8.73s/it] 986it [2:21:42, 8.74s/it] 987it [2:21:51, 8.73s/it] 988it [2:21:59, 8.73s/it] 989it [2:22:08, 8.68s/it] 990it [2:22:16, 8.66s/it] 991it [2:22:25, 8.61s/it] 992it [2:22:33, 8.59s/it] 993it [2:22:42, 8.62s/it] 994it [2:22:51, 8.66s/it] 995it [2:23:00, 8.64s/it] 996it [2:23:08, 8.61s/it] 997it [2:23:17, 8.57s/it] 998it [2:23:25, 8.54s/it] 999it [2:23:33, 8.49s/it] 1000it [2:23:42, 8.48s/it] 1000it [2:23:42, 8.62s/it]
Error counts:
cysteine_to_N_cyclization: 0
Completed process in 6:10:12.772132
0it [00:00, ?it/s] 1it [00:10, 10.73s/it] 2it [00:21, 10.77s/it] 3it [00:32, 10.76s/it] 4it [00:42, 10.73s/it] 5it [00:53, 10.73s/it] 6it [01:04, 10.71s/it] 7it [01:15, 10.71s/it] 8it [01:25, 10.71s/it] 9it [01:36, 10.76s/it] 10it [01:47, 10.77s/it] 11it [01:58, 10.76s/it] 12it [02:09, 10.78s/it] 13it [02:19, 10.81s/it] 14it [02:30, 10.83s/it] 15it [02:41, 10.88s/it] 16it [02:52, 10.88s/it] 17it [03:03, 10.88s/it] 18it [03:14, 10.85s/it] 19it [03:25, 10.85s/it] 20it [03:36, 10.87s/it] 21it [03:47, 10.90s/it] 22it [03:57, 10.89s/it] 23it [04:08, 10.91s/it] 24it [04:19, 10.89s/it] 25it [04:30, 10.92s/it] 26it [04:41, 10.92s/it] 27it [04:52, 10.92s/it] 28it [05:03, 10.91s/it] 29it [05:14, 10.93s/it] 30it [05:25, 10.91s/it] 31it [05:36, 10.92s/it] 32it [05:47, 10.92s/it] 33it [05:58, 10.98s/it] 34it [06:09, 11.01s/it] 35it [06:20, 11.02s/it] 36it [06:31, 11.06s/it] 37it [06:42, 11.07s/it] 38it [06:53, 11.05s/it] 39it [07:04, 11.04s/it] 40it [07:15, 11.01s/it] 41it [07:26, 10.99s/it] 42it [07:37, 10.99s/it] 43it [07:48, 10.99s/it] 44it [07:59, 10.98s/it] 45it [08:10, 11.00s/it] 46it [08:21, 11.00s/it] 47it [08:32, 10.96s/it] 48it [08:43, 10.98s/it] 49it [08:54, 10.96s/it] 50it [09:05, 10.98s/it] 51it [09:16, 10.99s/it] 52it [09:27, 10.97s/it] 53it [09:38, 11.00s/it] 54it [09:49, 10.99s/it] 55it [10:00, 10.99s/it] 56it [10:11, 10.99s/it] 57it [10:22, 10.98s/it] 58it [10:33, 11.04s/it] 59it [10:44, 11.06s/it] 60it [10:55, 11.06s/it] 61it [11:06, 11.07s/it] 62it [11:17, 11.10s/it] 63it [11:29, 11.13s/it] 64it [11:40, 11.13s/it] 65it [11:51, 11.14s/it] 66it [12:02, 11.16s/it] 67it [12:13, 11.19s/it] 68it [12:25, 11.19s/it] 69it [12:36, 11.16s/it] 70it [12:47, 11.12s/it] 71it [12:58, 11.13s/it] 72it [13:09, 11.09s/it] 73it [13:20, 11.07s/it] 74it [13:31, 11.07s/it] 75it [13:42, 11.05s/it] 76it [13:53, 11.01s/it] 77it [14:04, 11.02s/it] 78it [14:15, 11.02s/it] 79it [14:26, 11.06s/it] 80it [14:37, 11.08s/it] 81it [14:48, 11.07s/it] 82it [14:59, 11.06s/it] 83it [15:10, 11.06s/it] 84it [15:21, 11.03s/it] 85it [15:32, 11.04s/it] 86it [15:43, 11.00s/it] 87it [15:54, 11.04s/it] 88it [16:06, 11.08s/it] 89it [16:17, 11.11s/it] 90it [16:28, 11.12s/it] 91it [16:39, 11.13s/it] 92it [16:50, 11.17s/it] 93it [17:01, 11.14s/it] 94it [17:12, 11.14s/it] 95it [17:24, 11.14s/it] 96it [17:35, 11.10s/it] 97it [17:46, 11.09s/it] 98it [17:57, 11.08s/it] 99it [18:08, 11.06s/it] 100it [18:19, 11.06s/it] 101it [18:30, 11.05s/it] 102it [18:41, 11.06s/it] 103it [18:52, 11.01s/it] 104it [19:03, 11.03s/it] 105it [19:14, 11.04s/it] 106it [19:25, 11.04s/it] 107it [19:36, 11.09s/it] 108it [19:47, 11.13s/it] 109it [19:59, 11.14s/it] 110it [20:10, 11.17s/it] 111it [20:21, 11.17s/it] 112it [20:32, 11.18s/it] 113it [20:43, 11.20s/it] 114it [20:55, 11.23s/it] 115it [21:06, 11.23s/it] 116it [21:17, 11.24s/it] 117it [21:29, 11.25s/it] 118it [21:40, 11.23s/it] 119it [21:51, 11.18s/it] 120it [22:02, 11.16s/it] 121it [22:13, 11.14s/it] 122it [22:24, 11.09s/it] 123it [22:35, 11.07s/it] 124it [22:46, 11.05s/it] 125it [22:57, 11.04s/it] 126it [23:08, 11.05s/it] 127it [23:19, 11.04s/it] 128it [23:30, 11.03s/it] 129it [23:41, 11.03s/it] 130it [23:52, 11.02s/it] 131it [24:03, 10.99s/it] 132it [24:14, 11.01s/it] 133it [24:25, 11.01s/it] 134it [24:36, 11.05s/it] 135it [24:47, 11.05s/it] 136it [24:58, 11.02s/it] 137it [25:09, 10.98s/it] 138it [25:20, 10.96s/it] 139it [25:31, 10.95s/it] 140it [25:42, 10.94s/it] 141it [25:53, 10.92s/it] 142it [26:04, 10.91s/it] 143it [26:15, 10.90s/it] 144it [26:25, 10.88s/it] 145it [26:36, 10.87s/it] 146it [26:47, 10.87s/it] 147it [26:58, 10.90s/it] 148it [27:09, 10.89s/it] 149it [27:20, 10.89s/it] 150it [27:31, 10.88s/it] 151it [27:41, 10.86s/it] 152it [27:52, 10.83s/it] 153it [28:03, 10.86s/it] 154it [28:14, 10.89s/it] 155it [28:25, 10.93s/it] 156it [28:36, 10.97s/it] 157it [28:47, 10.98s/it] 158it [28:58, 10.97s/it] 159it [29:09, 10.97s/it] 160it [29:20, 10.95s/it] 161it [29:31, 10.91s/it] 162it [29:42, 10.93s/it] 163it [29:53, 10.90s/it] 164it [30:03, 10.88s/it] 165it [30:14, 10.87s/it] 166it [30:25, 10.86s/it] 167it [30:36, 10.90s/it] 168it [30:47, 10.90s/it] 169it [30:58, 10.86s/it] 170it [31:09, 10.87s/it] 171it [31:20, 10.88s/it] 172it [31:30, 10.86s/it] 173it [31:41, 10.84s/it] 174it [31:52, 10.83s/it] 175it [32:03, 10.82s/it] 176it [32:14, 10.81s/it] 177it [32:24, 10.83s/it] 178it [32:35, 10.83s/it] 179it [32:46, 10.82s/it] 180it [32:57, 10.85s/it] 181it [33:08, 10.83s/it] 182it [33:19, 10.81s/it] 183it [33:29, 10.80s/it] 184it [33:40, 10.82s/it] 185it [33:51, 10.83s/it] 186it [34:02, 10.89s/it] 187it [34:13, 10.91s/it] 188it [34:24, 10.95s/it] 189it [34:35, 10.97s/it] 190it [34:46, 10.97s/it] 191it [34:57, 10.96s/it] 192it [35:08, 10.99s/it] 193it [35:19, 11.02s/it] 194it [35:30, 11.01s/it] 195it [35:41, 10.98s/it] 196it [35:52, 10.97s/it] 197it [36:03, 10.96s/it] 198it [36:14, 10.98s/it] 199it [36:25, 10.99s/it] 200it [36:36, 10.99s/it] 201it [36:47, 10.99s/it] 202it [36:58, 10.98s/it] 203it [37:09, 10.97s/it] 204it [37:20, 10.97s/it] 205it [37:31, 10.94s/it] 206it [37:42, 10.92s/it] 207it [37:53, 10.94s/it] 208it [38:04, 10.95s/it] 209it [38:15, 10.97s/it] 210it [38:26, 10.96s/it] 211it [38:36, 10.91s/it] 212it [38:47, 10.91s/it] 213it [38:58, 10.96s/it] 214it [39:09, 10.99s/it] 215it [39:20, 11.00s/it] 216it [39:31, 11.00s/it] 217it [39:42, 10.94s/it] 218it [39:53, 10.90s/it] 219it [40:04, 10.88s/it] 220it [40:15, 10.84s/it] 221it [40:25, 10.80s/it] 222it [40:36, 10.77s/it] 223it [40:47, 10.78s/it] 224it [40:57, 10.73s/it] 225it [41:08, 10.72s/it] 226it [41:19, 10.69s/it] 227it [41:29, 10.67s/it] 228it [41:40, 10.66s/it] 229it [41:51, 10.64s/it] 230it [42:01, 10.64s/it] 231it [42:12, 10.66s/it] 232it [42:23, 10.65s/it] 233it [42:33, 10.63s/it] 234it [42:44, 10.61s/it] 235it [42:54, 10.60s/it] 236it [43:05, 10.60s/it] 237it [43:15, 10.60s/it] 238it [43:26, 10.60s/it] 239it [43:37, 10.60s/it] 240it [43:47, 10.62s/it] 241it [43:58, 10.61s/it] 242it [44:09, 10.65s/it] 243it [44:19, 10.67s/it] 244it [44:30, 10.71s/it] 245it [44:41, 10.73s/it] 246it [44:52, 10.72s/it] 247it [45:02, 10.72s/it] 248it [45:13, 10.75s/it] 249it [45:24, 10.73s/it] 250it [45:35, 10.73s/it] 251it [45:45, 10.71s/it] 252it [45:56, 10.71s/it] 253it [46:07, 10.69s/it] 254it [46:17, 10.69s/it] 255it [46:28, 10.68s/it] 256it [46:39, 10.66s/it] 257it [46:49, 10.69s/it] 258it [47:00, 10.70s/it] 259it [47:11, 10.72s/it] 260it [47:22, 10.74s/it] 261it [47:32, 10.70s/it] 262it [47:43, 10.68s/it] 263it [47:53, 10.65s/it] 264it [48:04, 10.65s/it] 265it [48:15, 10.66s/it] 266it [48:25, 10.66s/it] 267it [48:36, 10.66s/it] 268it [48:47, 10.70s/it] 269it [48:58, 10.69s/it] 270it [49:08, 10.71s/it] 271it [49:19, 10.75s/it] 272it [49:30, 10.77s/it] 273it [49:41, 10.75s/it] 274it [49:51, 10.76s/it] 275it [50:02, 10.76s/it] 276it [50:13, 10.74s/it] 277it [50:24, 10.72s/it] 278it [50:34, 10.71s/it] 279it [50:45, 10.70s/it] 280it [50:56, 10.69s/it] 281it [51:06, 10.69s/it] 282it [51:17, 10.67s/it] 283it [51:28, 10.66s/it] 284it 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10.56s/it] 954it [2:49:44, 10.53s/it] 955it [2:49:54, 10.54s/it] 956it [2:50:05, 10.54s/it] 957it [2:50:15, 10.53s/it] 958it [2:50:26, 10.54s/it] 959it [2:50:36, 10.54s/it] 960it [2:50:47, 10.57s/it] 961it [2:50:58, 10.53s/it] 962it [2:51:08, 10.52s/it] 963it [2:51:19, 10.52s/it] 964it [2:51:29, 10.52s/it] 965it [2:51:40, 10.52s/it] 966it [2:51:50, 10.51s/it] 967it [2:52:01, 10.51s/it] 968it [2:52:11, 10.48s/it] 969it [2:52:22, 10.49s/it] 970it [2:52:32, 10.48s/it] 971it [2:52:42, 10.47s/it] 972it [2:52:53, 10.47s/it] 973it [2:53:03, 10.47s/it] 974it [2:53:14, 10.48s/it] 975it [2:53:24, 10.47s/it] 976it [2:53:35, 10.47s/it] 977it [2:53:45, 10.47s/it] 978it [2:53:56, 10.46s/it] 979it [2:54:06, 10.47s/it] 980it [2:54:17, 10.47s/it] 981it [2:54:27, 10.48s/it] 982it [2:54:38, 10.47s/it] 983it [2:54:48, 10.48s/it] 984it [2:54:59, 10.47s/it] 985it [2:55:09, 10.47s/it] 986it [2:55:20, 10.47s/it] 987it [2:55:30, 10.47s/it] 988it [2:55:41, 10.49s/it] 989it [2:55:51, 10.47s/it] 990it [2:56:01, 10.45s/it] 991it [2:56:12, 10.45s/it] 992it [2:56:22, 10.44s/it] 993it [2:56:33, 10.43s/it] 994it [2:56:43, 10.44s/it] 995it [2:56:54, 10.45s/it] 996it [2:57:04, 10.45s/it] 997it [2:57:14, 10.45s/it] 998it [2:57:25, 10.45s/it] 999it [2:57:35, 10.44s/it] 1000it [2:57:46, 10.44s/it] 1000it [2:57:46, 10.67s/it]
Error counts:
cyclic_id: 0
cyclic_inchikey: 0
cyclic_scaffold: 0
cyclic_mwt: 0
cyclic_clogp: 0
cyclic_tpsa: 0
Completed process in 9:08:00.245689
0it [00:00, ?it/s] 1it [00:00, 9.51it/s] 2it [00:00, 8.92it/s] 3it [00:00, 9.20it/s] 4it [00:00, 9.33it/s] 5it [00:00, 9.41it/s] 6it [00:00, 9.43it/s] 7it [00:00, 9.48it/s] 8it [00:00, 9.50it/s] 9it [00:00, 9.52it/s] 10it [00:01, 9.53it/s] 11it [00:01, 9.56it/s] 12it [00:01, 9.55it/s] 13it [00:01, 9.57it/s] 14it [00:01, 9.56it/s] 15it [00:01, 9.54it/s] 16it [00:01, 9.47it/s] 17it [00:01, 9.49it/s] 18it [00:01, 9.57it/s] 19it [00:02, 9.60it/s] 20it [00:02, 9.57it/s] 21it [00:02, 9.54it/s] 22it [00:02, 9.53it/s] 23it [00:02, 9.53it/s] 24it [00:02, 9.56it/s] 25it [00:02, 9.53it/s] 26it [00:02, 9.55it/s] 27it [00:02, 9.56it/s] 28it [00:02, 9.53it/s] 29it [00:03, 9.53it/s] 30it [00:03, 9.55it/s] 31it [00:03, 9.51it/s] 32it [00:03, 9.51it/s] 33it [00:03, 9.55it/s] 34it [00:03, 9.58it/s] 35it [00:03, 9.61it/s] 36it [00:03, 9.55it/s] 37it [00:03, 9.54it/s] 38it [00:03, 9.57it/s] 39it [00:04, 9.55it/s] 40it [00:04, 9.52it/s] 41it [00:04, 9.56it/s] 42it [00:04, 9.55it/s] 43it [00:04, 9.53it/s] 44it [00:04, 9.50it/s] 45it [00:04, 9.54it/s] 46it [00:04, 9.57it/s] 47it [00:04, 9.61it/s] 48it [00:05, 9.60it/s] 49it [00:05, 9.44it/s] 50it [00:05, 9.47it/s] 51it [00:05, 9.47it/s] 52it [00:05, 9.50it/s] 53it [00:05, 9.54it/s] 54it [00:05, 9.58it/s] 55it [00:05, 9.58it/s] 56it [00:05, 9.56it/s] 57it [00:05, 9.57it/s] 58it [00:06, 9.58it/s] 59it [00:06, 9.53it/s] 60it [00:06, 9.54it/s] 61it [00:06, 9.53it/s] 62it [00:06, 9.56it/s] 63it [00:06, 9.57it/s] 64it [00:06, 9.57it/s] 65it [00:06, 9.57it/s] 66it [00:06, 9.58it/s] 67it [00:07, 9.53it/s] 68it [00:07, 9.55it/s] 69it [00:07, 9.56it/s] 70it [00:07, 9.56it/s] 71it [00:07, 9.57it/s] 72it [00:07, 9.54it/s] 73it [00:07, 9.53it/s] 74it [00:07, 9.52it/s] 75it [00:07, 9.52it/s] 76it [00:07, 9.52it/s] 77it [00:08, 9.48it/s] 78it [00:08, 9.43it/s] 79it [00:08, 9.41it/s] 80it [00:08, 9.43it/s] 81it [00:08, 9.46it/s] 82it [00:08, 9.46it/s] 83it [00:08, 9.54it/s] 84it [00:08, 9.52it/s] 85it [00:08, 9.52it/s] 86it [00:09, 9.48it/s] 87it [00:09, 9.51it/s] 88it [00:09, 9.50it/s] 89it [00:09, 9.51it/s] 90it [00:09, 9.54it/s] 91it [00:09, 9.52it/s] 92it [00:09, 9.50it/s] 93it [00:09, 9.50it/s] 94it [00:09, 9.51it/s] 95it [00:09, 9.54it/s] 96it [00:10, 9.53it/s] 97it [00:10, 9.53it/s] 98it [00:10, 9.50it/s] 99it [00:10, 9.50it/s] 100it [00:10, 9.51it/s] 101it [00:10, 9.54it/s] 102it [00:10, 9.51it/s] 103it [00:10, 9.51it/s] 104it [00:10, 9.49it/s] 105it [00:11, 9.50it/s] 106it [00:11, 9.51it/s] 107it [00:11, 9.43it/s] 108it [00:11, 9.45it/s] 109it [00:11, 9.49it/s] 110it [00:11, 9.50it/s] 111it [00:11, 9.48it/s] 112it [00:11, 9.50it/s] 113it [00:11, 9.49it/s] 114it [00:11, 9.49it/s] 115it [00:12, 9.53it/s] 116it [00:12, 9.35it/s] 117it [00:12, 9.42it/s] 118it [00:12, 9.45it/s] 119it [00:12, 9.48it/s] 120it [00:12, 9.52it/s] 121it [00:12, 9.55it/s] 122it [00:12, 9.53it/s] 123it [00:12, 9.53it/s] 124it [00:13, 9.54it/s] 125it [00:13, 9.57it/s] 126it [00:13, 9.54it/s] 127it [00:13, 9.53it/s] 128it [00:13, 9.53it/s] 129it [00:13, 9.49it/s] 130it [00:13, 9.49it/s] 131it [00:13, 9.49it/s] 132it [00:13, 9.52it/s] 133it [00:13, 9.44it/s] 134it [00:14, 9.46it/s] 135it [00:14, 9.48it/s] 136it [00:14, 9.53it/s] 137it [00:14, 9.50it/s] 138it [00:14, 9.50it/s] 139it [00:14, 9.50it/s] 140it [00:14, 9.54it/s] 141it [00:14, 9.34it/s] 142it [00:14, 9.38it/s] 143it [00:15, 9.45it/s] 144it [00:15, 9.44it/s] 145it [00:15, 9.47it/s] 146it [00:15, 9.49it/s] 147it [00:15, 9.52it/s] 148it [00:15, 9.51it/s] 149it [00:15, 9.49it/s] 150it [00:15, 9.52it/s] 151it [00:15, 9.52it/s] 152it [00:15, 9.53it/s] 153it [00:16, 9.50it/s] 154it [00:16, 9.49it/s] 155it [00:16, 9.50it/s] 156it [00:16, 9.52it/s] 157it [00:16, 9.50it/s] 158it [00:16, 9.52it/s] 159it [00:16, 9.51it/s] 160it [00:16, 9.52it/s] 161it [00:16, 9.54it/s] 162it [00:17, 9.56it/s] 163it [00:17, 9.51it/s] 164it [00:17, 9.51it/s] 165it [00:17, 9.53it/s] 166it [00:17, 9.51it/s] 167it [00:17, 9.54it/s] 168it [00:17, 9.52it/s] 169it [00:17, 9.50it/s] 170it [00:17, 9.53it/s] 171it [00:17, 9.51it/s] 172it [00:18, 9.50it/s] 173it [00:18, 9.49it/s] 174it [00:18, 9.53it/s] 175it [00:18, 9.57it/s] 176it [00:18, 9.54it/s] 177it [00:18, 9.54it/s] 178it [00:18, 9.54it/s] 179it [00:18, 9.53it/s] 180it [00:18, 9.51it/s] 181it [00:19, 9.54it/s] 182it [00:19, 9.54it/s] 183it [00:19, 9.56it/s] 184it [00:19, 9.51it/s] 185it [00:19, 9.50it/s] 186it [00:19, 9.53it/s] 187it [00:19, 9.54it/s] 188it [00:19, 9.50it/s] 189it [00:19, 9.48it/s] 190it [00:19, 9.45it/s] 191it [00:20, 9.43it/s] 192it [00:20, 9.46it/s] 193it [00:20, 9.51it/s] 194it [00:20, 9.48it/s] 195it [00:20, 9.48it/s] 196it [00:20, 9.46it/s] 197it [00:20, 9.45it/s] 198it [00:20, 9.45it/s] 199it [00:20, 9.49it/s] 200it [00:21, 9.54it/s] 201it [00:21, 9.52it/s] 202it [00:21, 9.51it/s] 203it [00:21, 9.50it/s] 204it [00:21, 9.49it/s] 205it [00:21, 9.54it/s] 206it [00:21, 9.46it/s] 207it [00:21, 9.48it/s] 208it [00:21, 9.49it/s] 209it [00:21, 9.51it/s] 210it [00:22, 9.50it/s] 211it [00:22, 9.50it/s] 212it [00:22, 9.47it/s] 213it [00:22, 9.47it/s] 214it [00:22, 9.45it/s] 215it [00:22, 9.49it/s] 216it [00:22, 9.51it/s] 217it [00:22, 9.49it/s] 218it [00:22, 9.47it/s] 219it [00:23, 9.47it/s] 220it [00:23, 9.51it/s] 221it [00:23, 9.51it/s] 222it [00:23, 9.52it/s] 223it [00:23, 9.53it/s] 224it [00:23, 9.52it/s] 225it [00:23, 9.49it/s] 226it [00:23, 9.53it/s] 227it [00:23, 9.53it/s] 228it [00:23, 9.55it/s] 229it [00:24, 9.55it/s] 230it [00:24, 9.59it/s] 231it [00:24, 9.54it/s] 232it [00:24, 9.56it/s] 233it [00:24, 9.56it/s] 234it [00:24, 9.57it/s] 235it [00:24, 9.55it/s] 236it [00:24, 9.53it/s] 237it [00:24, 9.54it/s] 238it [00:25, 9.57it/s] 239it [00:25, 9.58it/s] 240it [00:25, 9.55it/s] 241it [00:25, 9.51it/s] 242it [00:25, 9.55it/s] 243it [00:25, 9.52it/s] 244it [00:25, 9.50it/s] 245it [00:25, 9.55it/s] 246it [00:25, 9.55it/s] 247it [00:25, 9.49it/s] 248it [00:26, 9.50it/s] 249it [00:26, 9.51it/s] 250it [00:26, 9.49it/s] 251it [00:26, 9.51it/s] 252it [00:26, 9.52it/s] 253it [00:26, 9.50it/s] 254it [00:26, 9.48it/s] 255it [00:26, 9.48it/s] 256it [00:26, 9.51it/s] 257it [00:27, 9.53it/s] 258it [00:27, 9.51it/s] 259it [00:27, 9.51it/s] 260it [00:27, 9.53it/s] 261it [00:27, 9.51it/s] 262it [00:27, 9.49it/s] 263it [00:27, 9.46it/s] 264it [00:27, 9.48it/s] 265it [00:27, 9.51it/s] 266it [00:27, 9.49it/s] 267it [00:28, 9.48it/s] 268it [00:28, 9.52it/s] 269it [00:28, 9.54it/s] 270it [00:28, 9.51it/s] 271it [00:28, 9.51it/s] 272it [00:28, 9.53it/s] 273it [00:28, 9.36it/s] 274it [00:28, 9.34it/s] 275it [00:28, 9.40it/s] 276it [00:29, 9.45it/s] 277it [00:29, 9.45it/s] 278it [00:29, 9.48it/s] 279it [00:29, 9.49it/s] 280it [00:29, 9.51it/s] 281it [00:29, 9.49it/s] 282it [00:29, 9.49it/s] 283it [00:29, 9.51it/s] 284it [00:29, 9.47it/s] 285it [00:29, 9.48it/s] 286it [00:30, 9.50it/s] 287it [00:30, 9.53it/s] 288it [00:30, 9.56it/s] 289it [00:30, 9.55it/s] 290it [00:30, 9.58it/s] 291it [00:30, 9.58it/s] 292it [00:30, 9.59it/s] 293it [00:30, 9.55it/s] 294it [00:30, 9.55it/s] 295it [00:31, 9.55it/s] 296it [00:31, 9.55it/s] 297it [00:31, 9.56it/s] 298it [00:31, 9.56it/s] 299it [00:31, 9.53it/s] 300it [00:31, 9.53it/s] 301it [00:31, 9.55it/s] 302it [00:31, 9.52it/s] 303it [00:31, 9.53it/s] 304it [00:31, 9.55it/s] 305it [00:32, 9.58it/s] 306it [00:32, 9.58it/s] 307it [00:32, 9.55it/s] 308it [00:32, 9.54it/s] 309it [00:32, 9.53it/s] 310it [00:32, 9.54it/s] 311it [00:32, 9.52it/s] 312it [00:32, 9.54it/s] 313it [00:32, 9.49it/s] 314it [00:33, 9.49it/s] 315it [00:33, 9.54it/s] 316it [00:33, 9.56it/s] 317it [00:33, 9.60it/s] 318it [00:33, 9.58it/s] 319it [00:33, 9.56it/s] 320it [00:33, 9.56it/s] 321it [00:33, 9.54it/s] 322it [00:33, 9.54it/s] 323it [00:33, 9.52it/s] 324it [00:34, 9.50it/s] 325it [00:34, 9.52it/s] 326it [00:34, 9.54it/s] 327it [00:34, 9.52it/s] 328it [00:34, 9.50it/s] 329it [00:34, 9.51it/s] 330it [00:34, 9.53it/s] 331it [00:34, 9.56it/s] 332it [00:34, 9.54it/s] 333it [00:35, 9.55it/s] 334it [00:35, 9.57it/s] 335it [00:35, 9.54it/s] 336it [00:35, 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9.43it/s] 918it [01:36, 9.41it/s] 919it [01:36, 9.42it/s] 920it [01:36, 9.44it/s] 921it [01:37, 9.48it/s] 922it [01:37, 9.45it/s] 923it [01:37, 9.45it/s] 924it [01:37, 9.45it/s] 925it [01:37, 9.47it/s] 926it [01:37, 9.48it/s] 927it [01:37, 9.44it/s] 928it [01:37, 9.46it/s] 929it [01:37, 9.48it/s] 930it [01:38, 9.44it/s] 931it [01:38, 9.51it/s] 932it [01:38, 9.49it/s] 933it [01:38, 9.49it/s] 934it [01:38, 9.50it/s] 935it [01:38, 9.48it/s] 936it [01:38, 9.45it/s] 937it [01:38, 9.48it/s] 938it [01:38, 9.48it/s] 939it [01:38, 9.49it/s] 940it [01:39, 9.51it/s] 941it [01:39, 9.52it/s] 942it [01:39, 9.48it/s] 943it [01:39, 9.48it/s] 944it [01:39, 9.49it/s] 945it [01:39, 9.37it/s] 946it [01:39, 9.35it/s] 947it [01:39, 9.30it/s] 948it [01:39, 9.33it/s] 949it [01:40, 9.28it/s] 950it [01:40, 9.26it/s] 951it [01:40, 9.23it/s] 952it [01:40, 9.23it/s] 953it [01:40, 9.27it/s] 954it [01:40, 9.34it/s] 955it [01:40, 9.42it/s] 956it [01:40, 9.43it/s] 957it [01:40, 9.45it/s] 958it [01:40, 9.40it/s] 959it 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9.41it/s] 1000it [01:45, 9.48it/s]
Split counts:
train: 674000
test: 164000
validation: 162000
Completed process in 9:09:46.797384
++ date
+ echo 'Sat 2 Nov 01:10:30 GMT 2024 :: 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-41000000-42000000.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-41000000-42000000.csv.gz
+ split_dir=20241101_peptides_6-12x100M/train
++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-41000000-42000000.csv.gz .csv.gz
+ split_file=20241101_peptides_6-12x100M/train/peptides_length-10_n-100000000_slice-41000000-42000000.csv.gz
+ mkdir -p 20241101_peptides_6-12x100M/train
++ date
+ echo 'Sat 2 Nov 01:10:30 GMT 2024 :: Saving train...'
Sat 2 Nov 01:10:30 GMT 2024 :: Saving train...
+ zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-41000000-42000000.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 01:11:27 GMT 2024 :: 20241101_peptides_6-12x100M/train/peptides_length-10_n-100000000_slice-41000000-42000000.csv.gz'
+ for split in train test validation
++ dirname 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-41000000-42000000.csv.gz
+ split_dir=20241101_peptides_6-12x100M/test
++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-41000000-42000000.csv.gz .csv.gz
+ split_file=20241101_peptides_6-12x100M/test/peptides_length-10_n-100000000_slice-41000000-42000000.csv.gz
+ mkdir -p 20241101_peptides_6-12x100M/test
++ date
+ echo 'Sat 2 Nov 01:11:28 GMT 2024 :: Saving test...'
Sat 2 Nov 01:11:28 GMT 2024 :: Saving test...
+ zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-41000000-42000000.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 01:11:53 GMT 2024 :: 20241101_peptides_6-12x100M/test/peptides_length-10_n-100000000_slice-41000000-42000000.csv.gz'
+ for split in train test validation
++ dirname 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-41000000-42000000.csv.gz
+ split_dir=20241101_peptides_6-12x100M/validation
++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-41000000-42000000.csv.gz .csv.gz
+ split_file=20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-41000000-42000000.csv.gz
+ mkdir -p 20241101_peptides_6-12x100M/validation
++ date
+ echo 'Sat 2 Nov 01:11:53 GMT 2024 :: Saving validation...'
Sat 2 Nov 01:11:53 GMT 2024 :: Saving validation...
+ zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-41000000-42000000.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 01:12:19 GMT 2024 :: 20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-41000000-42000000.csv.gz'
+ '[' -e 20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-41000000-42000000.csv.gz.success ']'
+ rm 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-41000000-42000000.csv.gz 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-41000000-42000000.csv.gz.success
+ set +x
Sat 2 Nov 01:12:19 GMT 2024 > Peptide generation complete