cyc-pep-6-12mer-650M-2024
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20241101_peptides_6-12x100M_l-10_n-100000000_slice-15000000-16000000.log
Fri 1 Nov 15:55:40 GMT 2024 > Generating peptides on cn072 | |
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 15:55:40 GMT 2024 > Running /camp/apps/eb/software/Anaconda3/2023.03/bin/python : Python 3.10.10 | |
Fri 1 Nov 15:55:40 GMT 2024 > Using Conda from . | |
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Fri 1 Nov 15:55:40 GMT 2024 > Seed = 1; length = 10; max. number = 100000000; slice = 15000000 to 16000000; output dir. = 20241101_peptides_6-12x100M | |
Fri 1 Nov 15:55:40 GMT 2024 > There are 10240000000000 peptides of length 10; generating 100000000 (0.000976563 %) | |
Fri 1 Nov 15:55:40 GMT 2024 > Saving a slice to 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-15000000-16000000.csv.gz... | |
+ schemist enumerate --seed 1 --max-length 10 --prefix GY --suffix CGSGSGS --number 9.76563e-06 --slice 15000000 16000000 | |
+ schemist convert --column cysteine_to_N_cyclization --to id inchikey scaffold mwt clogp tpsa --prefix cyclic_ --options prefix=SCB- | |
+ tr ' ' , | |
+ schemist react --column SMILES --reaction cysteine_to_N_cyclization | |
+ schemist split --type random --train 0.7 --test 0.15 --column cysteine_to_N_cyclization --seed 1 | |
+ gzip --best | |
+ schemist convert --column SMILES --to id inchikey scaffold mwt clogp tpsa --prefix linear_ --options prefix=SCB- | |
🚀 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: ['15000000', '16000000'] | |
seed: 1 | |
prefix: GY | |
suffix: CGSGSGS | |
type: aa | |
d_aa_only: False | |
include_d_aa: False | |
func: <function _enum at 0x7f1aff4bf880> | |
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. | |
🚀 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 0x7f0c0a2934c0> | |
🚀 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 0x7fc03cfbb9c0> | |
🚀 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 0x7f327943f240> | |
🚀 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 0x7fd2f8fdb240> | |
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[15:12, 1.03it/s] 877it [15:13, 1.04it/s] 878it [15:14, 1.04it/s] 879it [15:15, 1.03it/s] 880it [15:16, 1.03it/s] 881it [15:17, 1.03it/s] 882it [15:18, 1.03it/s] 883it [15:19, 1.04it/s] 884it [15:20, 1.03it/s] 885it [15:21, 1.04it/s] 886it [15:22, 1.05it/s] 887it [15:23, 1.04it/s] 888it [15:24, 1.04it/s] 889it [15:25, 1.04it/s] 890it [15:26, 1.04it/s] 891it [15:27, 1.04it/s] 892it [15:28, 1.03it/s] 893it [15:29, 1.03it/s] 894it [15:30, 1.03it/s] 895it [15:31, 1.03it/s] 896it [15:32, 1.04it/s] 897it [15:33, 1.03it/s] 898it [15:34, 1.03it/s] 899it [15:35, 1.03it/s] 900it [15:36, 1.02it/s] 901it [15:37, 1.00it/s] 902it [15:38, 1.01s/it] 903it [15:39, 1.01s/it] 904it [15:40, 1.02s/it] 905it [15:41, 1.01s/it] 906it [15:42, 1.02s/it] 907it [15:43, 1.03s/it] 908it [15:44, 1.03s/it] 909it [15:45, 1.04s/it] 910it [15:46, 1.02s/it] 911it [15:47, 1.01s/it] 912it [15:48, 1.01it/s] 913it [15:49, 1.01s/it] 914it [15:50, 1.02s/it] 915it [15:51, 1.01s/it] 916it [15:52, 1.00it/s] 917it [15:53, 1.00it/s] 918it [15:54, 1.01s/it] 919it [15:55, 1.01s/it] 920it [15:56, 1.01s/it] 921it [15:57, 1.01s/it] 922it [15:58, 1.01s/it] 923it [15:59, 1.01s/it] 924it [16:00, 1.01s/it] 925it [16:01, 1.02s/it] 926it [16:02, 1.02s/it] 927it [16:03, 1.02s/it] 928it [16:04, 1.01s/it] 929it [16:05, 1.00s/it] 930it [16:06, 1.00s/it] 931it [16:07, 1.00it/s] 932it [16:08, 1.00it/s] 933it [16:09, 1.01s/it] 934it [16:10, 1.01s/it] 935it [16:11, 1.01s/it] 936it [16:12, 1.00s/it] 937it [16:13, 1.00s/it] 938it [16:14, 1.01s/it] 939it [16:15, 1.01s/it] 940it [16:16, 1.02s/it] 941it [16:17, 1.02s/it] 942it [16:18, 1.00s/it] 943it [16:19, 1.00it/s] 944it [16:20, 1.01it/s] 945it [16:21, 1.02it/s] 946it [16:22, 1.03it/s] 947it [16:23, 1.03it/s] 948it [16:24, 1.03it/s] 949it [16:25, 1.03it/s] 950it [16:26, 1.04it/s] 951it [16:27, 1.05it/s] 952it [16:28, 1.05it/s] 953it [16:29, 1.05it/s] 954it [16:30, 1.05it/s] 955it [16:31, 1.04it/s] 956it [16:32, 1.04it/s] 957it [16:32, 1.04it/s] 958it [16:33, 1.04it/s] 959it [16:34, 1.04it/s] 960it [16:35, 1.04it/s] 961it [16:36, 1.04it/s] 962it [16:37, 1.05it/s] 963it [16:38, 1.05it/s] 964it [16:39, 1.05it/s] 965it [16:40, 1.05it/s] 966it [16:41, 1.04it/s] 967it [16:42, 1.05it/s] 968it [16:43, 1.05it/s] 969it [16:44, 1.05it/s] 970it [16:45, 1.05it/s] 971it [16:46, 1.06it/s] 972it [16:47, 1.05it/s] 973it [16:48, 1.06it/s] 974it [16:49, 1.06it/s] 975it [16:50, 1.04it/s] 976it [16:51, 1.02it/s] 977it [16:52, 1.02it/s] 978it [16:53, 1.02it/s] 979it [16:54, 1.02it/s] 980it [16:55, 1.02it/s] 981it [16:56, 1.01it/s] 982it [16:57, 1.01it/s] 983it [16:58, 1.01it/s] 984it [16:59, 1.01it/s] 985it [17:00, 1.01it/s] 986it [17:01, 1.02it/s] 987it [17:02, 1.01it/s] 988it [17:03, 1.01it/s] 989it [17:04, 1.01it/s] 990it [17:04, 1.01it/s] 991it [17:05, 1.01it/s] 992it [17:06, 1.00it/s] 993it [17:08, 1.00s/it] 994it [17:09, 1.00it/s] 995it [17:09, 1.00it/s] 996it [17:10, 1.01it/s] 997it [17:11, 1.02it/s] 998it [17:12, 1.02it/s] 999it [17:13, 1.02it/s] 1000it [17:14, 1.01it/s] 1000it [17:14, 1.03s/it] | |
Enumerated peptides: | |
Number of peptides: 1000000 | |
Conversion errors: | |
SMILES: 0 | |
⏰ Completed process in 0:17:14.917511 | |
0it [00:00, ?it/s] 1it [00:10, 10.93s/it] 2it [00:21, 10.87s/it] 3it [00:32, 10.82s/it] 4it [00:43, 10.75s/it] 5it [00:53, 10.66s/it] 6it [01:04, 10.61s/it] 7it [01:14, 10.58s/it] 8it [01:25, 10.54s/it] 9it [01:35, 10.51s/it] 10it [01:46, 10.59s/it] 11it [01:57, 10.62s/it] 12it [02:07, 10.64s/it] 13it [02:18, 10.68s/it] 14it [02:29, 10.71s/it] 15it [02:40, 10.73s/it] 16it [02:50, 10.71s/it] 17it [03:01, 10.74s/it] 18it [03:12, 10.75s/it] 19it [03:23, 10.80s/it] 20it [03:33, 10.72s/it] 21it [03:44, 10.67s/it] 22it [03:54, 10.67s/it] 23it [04:05, 10.67s/it] 24it [04:16, 10.66s/it] 25it [04:26, 10.59s/it] 26it [04:37, 10.63s/it] 27it [04:48, 10.73s/it] 28it [04:59, 10.80s/it] 29it [05:10, 10.79s/it] 30it [05:20, 10.78s/it] 31it [05:31, 10.71s/it] 32it [05:42, 10.72s/it] 33it [05:52, 10.69s/it] 34it [06:03, 10.67s/it] 35it [06:14, 10.66s/it] 36it [06:24, 10.65s/it] 37it [06:35, 10.59s/it] 38it [06:45, 10.55s/it] 39it [06:56, 10.55s/it] 40it [07:06, 10.51s/it] 41it [07:17, 10.54s/it] 42it [07:27, 10.52s/it] 43it [07:38, 10.54s/it] 44it [07:48, 10.61s/it] 45it [07:59, 10.64s/it] 46it [08:10, 10.64s/it] 47it [08:20, 10.62s/it] 48it [08:31, 10.63s/it] 49it [08:42, 10.63s/it] 50it [08:52, 10.64s/it] 51it [09:03, 10.64s/it] 52it [09:14, 10.62s/it] 53it [09:24, 10.60s/it] 54it [09:35, 10.57s/it] 55it [09:45, 10.51s/it] 56it [09:55, 10.45s/it] 57it [10:06, 10.42s/it] 58it [10:16, 10.42s/it] 59it [10:27, 10.45s/it] 60it [10:37, 10.45s/it] 61it [10:48, 10.50s/it] 62it [10:58, 10.49s/it] 63it [11:09, 10.52s/it] 64it [11:19, 10.53s/it] 65it [11:30, 10.50s/it] 66it [11:40, 10.50s/it] 67it [11:51, 10.51s/it] 68it [12:01, 10.55s/it] 69it [12:12, 10.55s/it] 70it [12:23, 10.61s/it] 71it [12:33, 10.59s/it] 72it [12:44, 10.56s/it] 73it [12:54, 10.55s/it] 74it [13:05, 10.51s/it] 75it [13:15, 10.50s/it] 76it [13:26, 10.52s/it] 77it [13:36, 10.55s/it] 78it [13:47, 10.57s/it] 79it [13:57, 10.54s/it] 80it [14:08, 10.51s/it] 81it [14:18, 10.50s/it] 82it [14:29, 10.51s/it] 83it [14:39, 10.54s/it] 84it [14:50, 10.62s/it] 85it [15:01, 10.64s/it] 86it [15:12, 10.71s/it] 87it [15:23, 10.75s/it] 88it [15:33, 10.77s/it] 89it [15:44, 10.83s/it] 90it [15:55, 10.85s/it] 91it [16:06, 10.82s/it] 92it [16:17, 10.79s/it] 93it [16:28, 10.77s/it] 94it [16:38, 10.77s/it] 95it [16:49, 10.80s/it] 96it [17:00, 10.80s/it] 97it [17:11, 10.91s/it] 98it [17:22, 10.87s/it] 99it [17:33, 10.84s/it] 100it [17:43, 10.79s/it] 101it [17:54, 10.79s/it] 102it [18:05, 10.80s/it] 103it [18:16, 10.82s/it] 104it [18:27, 10.84s/it] 105it [18:38, 10.84s/it] 106it [18:49, 10.86s/it] 107it [18:59, 10.86s/it] 108it [19:10, 10.83s/it] 109it [19:21, 10.81s/it] 110it [19:32, 10.79s/it] 111it [19:42, 10.77s/it] 112it [19:53, 10.79s/it] 113it [20:04, 10.82s/it] 114it [20:15, 10.81s/it] 115it [20:26, 10.78s/it] 116it [20:36, 10.75s/it] 117it [20:47, 10.86s/it] 118it [20:58, 10.86s/it] 119it [21:09, 10.88s/it] 120it [21:20, 10.89s/it] 121it [21:31, 10.90s/it] 122it [21:42, 10.86s/it] 123it [21:53, 10.85s/it] 124it [22:03, 10.82s/it] 125it [22:14, 10.80s/it] 126it [22:25, 10.76s/it] 127it [22:36, 10.79s/it] 128it [22:46, 10.77s/it] 129it [22:57, 10.71s/it] 130it [23:08, 10.72s/it] 131it [23:18, 10.72s/it] 132it [23:29, 10.74s/it] 133it [23:40, 10.75s/it] 134it [23:51, 10.74s/it] 135it [24:01, 10.74s/it] 136it [24:12, 10.75s/it] 137it [24:23, 10.77s/it] 138it [24:34, 10.81s/it] 139it [24:45, 10.92s/it] 140it [24:56, 10.92s/it] 141it [25:07, 10.81s/it] 142it [25:17, 10.79s/it] 143it [25:28, 10.77s/it] 144it [25:39, 10.80s/it] 145it [25:50, 10.82s/it] 146it [26:01, 10.82s/it] 147it [26:12, 10.85s/it] 148it [26:23, 10.90s/it] 149it [26:33, 10.91s/it] 150it [26:44, 10.90s/it] 151it [26:55, 10.88s/it] 152it [27:06, 10.81s/it] 153it [27:16, 10.75s/it] 154it [27:27, 10.71s/it] 155it [27:37, 10.63s/it] 156it [27:48, 10.64s/it] 157it [27:59, 10.59s/it] 158it [28:09, 10.59s/it] 159it [28:20, 10.63s/it] 160it [28:31, 10.68s/it] 161it [28:42, 10.79s/it] 162it [28:53, 10.82s/it] 163it [29:03, 10.77s/it] 164it [29:14, 10.75s/it] 165it [29:25, 10.78s/it] 166it [29:36, 10.77s/it] 167it [29:46, 10.77s/it] 168it [29:57, 10.75s/it] 169it [30:08, 10.76s/it] 170it [30:19, 10.85s/it] 171it [30:30, 10.89s/it] 172it [30:41, 10.92s/it] 173it [30:52, 10.97s/it] 174it [31:03, 11.02s/it] 175it [31:14, 11.00s/it] 176it [31:25, 11.03s/it] 177it [31:36, 10.99s/it] 178it [31:47, 11.02s/it] 179it [31:58, 11.01s/it] 180it [32:09, 11.07s/it] 181it [32:21, 11.16s/it] 182it [32:32, 11.19s/it] 183it [32:43, 11.23s/it] 184it [32:54, 11.18s/it] 185it [33:05, 11.15s/it] 186it [33:17, 11.16s/it] 187it [33:28, 11.17s/it] 188it [33:39, 11.17s/it] 189it [33:50, 11.20s/it] 190it [34:01, 11.18s/it] 191it [34:13, 11.18s/it] 192it [34:24, 11.23s/it] 193it [34:35, 11.23s/it] 194it [34:46, 11.22s/it] 195it [34:58, 11.23s/it] 196it [35:09, 11.22s/it] 197it [35:20, 11.27s/it] 198it [35:31, 11.23s/it] 199it [35:42, 11.19s/it] 200it [35:54, 11.25s/it] 201it [36:05, 11.27s/it] 202it [36:16, 11.27s/it] 203it [36:28, 11.26s/it] 204it [36:39, 11.27s/it] 205it [36:50, 11.27s/it] 206it [37:01, 11.25s/it] 207it [37:13, 11.24s/it] 208it [37:24, 11.24s/it] 209it [37:35, 11.24s/it] 210it [37:47, 11.29s/it] 211it [37:58, 11.32s/it] 212it [38:09, 11.32s/it] 213it [38:21, 11.44s/it] 214it [38:32, 11.46s/it] 215it [38:44, 11.46s/it] 216it [38:55, 11.45s/it] 217it [39:07, 11.44s/it] 218it [39:18, 11.51s/it] 219it [39:30, 11.47s/it] 220it [39:41, 11.49s/it] 221it [39:53, 11.47s/it] 222it [40:04, 11.45s/it] 223it [40:16, 11.45s/it] 224it [40:27, 11.44s/it] 225it [40:38, 11.42s/it] 226it [40:50, 11.40s/it] 227it [41:01, 11.36s/it] 228it [41:12, 11.35s/it] 229it [41:24, 11.32s/it] 230it [41:35, 11.31s/it] 231it [41:46, 11.36s/it] 232it [41:58, 11.32s/it] 233it [42:09, 11.33s/it] 234it [42:20, 11.37s/it] 235it [42:32, 11.37s/it] 236it [42:43, 11.37s/it] 237it [42:54, 11.34s/it] 238it [43:06, 11.36s/it] 239it [43:17, 11.40s/it] 240it [43:29, 11.40s/it] 241it [43:40, 11.41s/it] 242it [43:52, 11.43s/it] 243it [44:03, 11.43s/it] 244it [44:14, 11.42s/it] 245it [44:26, 11.41s/it] 246it [44:37, 11.39s/it] 247it [44:49, 11.36s/it] 248it [45:00, 11.33s/it] 249it [45:11, 11.35s/it] 250it [45:22, 11.30s/it] 251it [45:34, 11.26s/it] 252it [45:45, 11.22s/it] 253it [45:56, 11.25s/it] 254it [46:07, 11.29s/it] 255it [46:19, 11.30s/it] 256it [46:30, 11.31s/it] 257it [46:41, 11.32s/it] 258it [46:53, 11.32s/it] 259it [47:04, 11.33s/it] 260it [47:15, 11.34s/it] 261it [47:27, 11.32s/it] 262it [47:38, 11.31s/it] 263it [47:49, 11.31s/it] 264it [48:01, 11.34s/it] 265it [48:12, 11.33s/it] 266it [48:23, 11.30s/it] 267it [48:34, 11.29s/it] 268it [48:46, 11.28s/it] 269it [48:57, 11.30s/it] 270it [49:08, 11.31s/it] 271it [49:20, 11.32s/it] 272it [49:31, 11.31s/it] 273it [49:42, 11.33s/it] 274it [49:54, 11.33s/it] 275it [50:05, 11.33s/it] 276it [50:16, 11.34s/it] 277it [50:28, 11.29s/it] 278it [50:39, 11.23s/it] 279it [50:50, 11.19s/it] 280it [51:01, 11.22s/it] 281it [51:12, 11.21s/it] 282it [51:23, 11.20s/it] 283it [51:35, 11.21s/it] 284it 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11.96s/it] 732it [2:18:27, 11.93s/it] 733it [2:18:39, 11.93s/it] 734it [2:18:51, 11.93s/it] 735it [2:19:03, 11.94s/it] 736it [2:19:15, 11.97s/it] 737it [2:19:27, 11.99s/it] 738it [2:19:39, 12.00s/it] 739it [2:19:51, 11.99s/it] 740it [2:20:03, 11.97s/it] 741it [2:20:15, 11.99s/it] 742it [2:20:27, 11.97s/it] 743it [2:20:39, 11.97s/it] 744it [2:20:51, 12.00s/it] 745it [2:21:03, 12.00s/it] 746it [2:21:15, 11.96s/it] 747it [2:21:27, 11.96s/it] 748it [2:21:39, 11.95s/it] 749it [2:21:51, 11.90s/it] 750it [2:22:02, 11.88s/it] 751it [2:22:14, 11.71s/it] 752it [2:22:26, 11.79s/it] 753it [2:22:38, 11.89s/it] 754it [2:22:50, 11.95s/it] 755it [2:23:02, 11.99s/it] 756it [2:23:14, 12.03s/it] 757it [2:23:26, 12.04s/it] 758it [2:23:38, 12.04s/it] 759it [2:23:50, 11.99s/it] 760it [2:24:02, 11.97s/it] 761it [2:24:14, 11.97s/it] 762it [2:24:26, 11.92s/it] 763it [2:24:37, 11.85s/it] 764it [2:24:49, 11.81s/it] 765it [2:25:01, 11.77s/it] 766it [2:25:12, 11.72s/it] 767it [2:25:24, 11.73s/it] 768it [2:25:36, 11.69s/it] 769it [2:25:48, 11.69s/it] 770it [2:25:59, 11.68s/it] 771it [2:26:11, 11.68s/it] 772it [2:26:22, 11.65s/it] 773it [2:26:34, 11.63s/it] 774it [2:26:46, 11.64s/it] 775it [2:26:57, 11.60s/it] 776it [2:27:09, 11.58s/it] 777it [2:27:20, 11.59s/it] 778it [2:27:32, 11.62s/it] 779it [2:27:44, 11.60s/it] 780it [2:27:55, 11.45s/it] 781it [2:28:05, 11.23s/it] 782it [2:28:17, 11.30s/it] 783it [2:28:28, 11.28s/it] 784it [2:28:38, 10.99s/it] 785it [2:28:49, 10.76s/it] 786it [2:29:00, 10.94s/it] 787it [2:29:10, 10.77s/it] 788it [2:29:22, 11.01s/it] 789it [2:29:33, 11.00s/it] 790it [2:29:44, 10.88s/it] 791it [2:29:55, 11.02s/it] 792it [2:30:06, 11.08s/it] 793it [2:30:17, 11.15s/it] 794it [2:30:29, 11.16s/it] 795it [2:30:40, 11.21s/it] 796it [2:30:51, 11.22s/it] 797it [2:31:02, 11.22s/it] 798it [2:31:14, 11.25s/it] 799it [2:31:25, 11.26s/it] 800it [2:31:36, 11.26s/it] 801it [2:31:47, 11.01s/it] 802it [2:31:57, 10.94s/it] 803it [2:32:09, 11.10s/it] 804it [2:32:20, 11.21s/it] 805it [2:32:32, 11.27s/it] 806it [2:32:43, 11.31s/it] 807it [2:32:55, 11.34s/it] 808it [2:33:06, 11.35s/it] 809it [2:33:17, 11.16s/it] 810it [2:33:27, 10.98s/it] 811it [2:33:38, 10.96s/it] 812it [2:33:49, 11.01s/it] 813it [2:34:01, 11.10s/it] 814it [2:34:12, 11.17s/it] 815it [2:34:23, 11.22s/it] 816it [2:34:35, 11.27s/it] 817it [2:34:46, 11.28s/it] 818it [2:34:57, 11.29s/it] 819it [2:35:08, 11.26s/it] 820it [2:35:20, 11.41s/it] 821it [2:35:32, 11.54s/it] 822it [2:35:44, 11.61s/it] 823it [2:35:56, 11.64s/it] 824it [2:36:07, 11.68s/it] 825it [2:36:19, 11.69s/it] 826it [2:36:31, 11.66s/it] 827it [2:36:42, 11.47s/it] 828it [2:36:53, 11.52s/it] 829it [2:37:05, 11.57s/it] 830it [2:37:17, 11.58s/it] 831it [2:37:28, 11.58s/it] 832it [2:37:39, 11.26s/it] 833it [2:37:50, 11.25s/it] 834it [2:38:02, 11.38s/it] 835it [2:38:13, 11.47s/it] 836it [2:38:25, 11.52s/it] 837it [2:38:37, 11.54s/it] 838it [2:38:48, 11.57s/it] 839it [2:39:00, 11.56s/it] 840it [2:39:11, 11.56s/it] 841it [2:39:22, 11.31s/it] 842it [2:39:34, 11.42s/it] 843it [2:39:45, 11.47s/it] 844it [2:39:57, 11.48s/it] 845it [2:40:08, 11.50s/it] 846it [2:40:20, 11.47s/it] 847it [2:40:31, 11.48s/it] 848it [2:40:43, 11.49s/it] 849it [2:40:54, 11.50s/it] 850it [2:41:06, 11.52s/it] 851it [2:41:17, 11.51s/it] 852it [2:41:29, 11.48s/it] 853it [2:41:40, 11.49s/it] 854it [2:41:52, 11.53s/it] 855it [2:42:03, 11.54s/it] 856it [2:42:15, 11.63s/it] 857it [2:42:27, 11.69s/it] 858it [2:42:38, 11.42s/it] 859it [2:42:50, 11.55s/it] 860it [2:43:01, 11.61s/it] 861it [2:43:13, 11.66s/it] 862it [2:43:25, 11.70s/it] 863it [2:43:37, 11.73s/it] 864it [2:43:49, 11.77s/it] 865it [2:44:01, 11.82s/it] 866it [2:44:13, 11.84s/it] 867it [2:44:24, 11.81s/it] 868it [2:44:36, 11.81s/it] 869it [2:44:48, 11.80s/it] 870it [2:45:00, 11.78s/it] 871it [2:45:11, 11.78s/it] 872it [2:45:23, 11.82s/it] 873it [2:45:35, 11.81s/it] 874it [2:45:47, 11.84s/it] 875it [2:45:59, 11.85s/it] 876it [2:46:11, 11.85s/it] 877it [2:46:23, 11.85s/it] 878it [2:46:34, 11.82s/it] 879it [2:46:46, 11.83s/it] 880it [2:46:58, 11.81s/it] 881it [2:47:10, 11.81s/it] 882it [2:47:22, 11.81s/it] 883it [2:47:33, 11.81s/it] 884it [2:47:45, 11.67s/it] 885it [2:47:56, 11.59s/it] 886it [2:48:08, 11.59s/it] 887it [2:48:20, 11.65s/it] 888it [2:48:31, 11.70s/it] 889it [2:48:43, 11.70s/it] 890it [2:48:55, 11.73s/it] 891it [2:49:07, 11.72s/it] 892it [2:49:18, 11.74s/it] 893it [2:49:30, 11.73s/it] 894it [2:49:42, 11.72s/it] 895it [2:49:53, 11.49s/it] 896it [2:50:04, 11.54s/it] 897it [2:50:16, 11.72s/it] 898it [2:50:27, 11.48s/it] 899it [2:50:40, 11.77s/it] 900it [2:50:51, 11.65s/it] 901it [2:51:03, 11.78s/it] 902it [2:51:15, 11.66s/it] 903it [2:51:27, 11.79s/it] 904it [2:51:38, 11.57s/it] 905it [2:51:49, 11.54s/it] 906it [2:52:01, 11.62s/it] 907it [2:52:12, 11.30s/it] 908it [2:52:23, 11.39s/it] 909it [2:52:34, 11.25s/it] 910it [2:52:46, 11.55s/it] 911it [2:52:59, 11.79s/it] 912it [2:53:11, 11.98s/it] 913it [2:53:24, 12.16s/it] 914it [2:53:37, 12.34s/it] 915it [2:53:49, 12.49s/it] 916it [2:54:02, 12.57s/it] 917it [2:54:15, 12.62s/it] 918it [2:54:28, 12.69s/it] 919it [2:54:40, 12.71s/it] 920it [2:54:53, 12.72s/it] 921it [2:55:06, 12.71s/it] 922it [2:55:19, 12.69s/it] 923it [2:55:29, 12.13s/it] 924it [2:55:42, 12.31s/it] 925it [2:55:55, 12.46s/it] 926it [2:56:08, 12.55s/it] 927it [2:56:20, 12.57s/it] 928it [2:56:33, 12.60s/it] 929it [2:56:46, 12.62s/it] 930it [2:56:58, 12.65s/it] 931it [2:57:11, 12.67s/it] 932it [2:57:24, 12.66s/it] 933it [2:57:36, 12.64s/it] 934it [2:57:49, 12.62s/it] 935it [2:58:01, 12.51s/it] 936it [2:58:13, 12.19s/it] 937it [2:58:24, 11.95s/it] 938it [2:58:36, 12.11s/it] 939it [2:58:49, 12.25s/it] 940it [2:59:02, 12.34s/it] 941it [2:59:14, 12.39s/it] 942it [2:59:25, 11.85s/it] 943it [2:59:37, 11.93s/it] 944it [2:59:49, 12.11s/it] 945it [3:00:02, 12.25s/it] 946it [3:00:14, 12.35s/it] 947it [3:00:27, 12.42s/it] 948it [3:00:40, 12.49s/it] 949it [3:00:52, 12.50s/it] 950it [3:01:03, 12.07s/it] 951it [3:01:16, 12.19s/it] 952it [3:01:28, 12.26s/it] 953it [3:01:40, 12.27s/it] 954it [3:01:53, 12.29s/it] 955it [3:02:05, 12.31s/it] 956it [3:02:18, 12.36s/it] 957it [3:02:30, 12.35s/it] 958it [3:02:42, 12.38s/it] 959it [3:02:55, 12.38s/it] 960it [3:03:07, 12.34s/it] 961it [3:03:19, 12.29s/it] 962it [3:03:31, 12.24s/it] 963it [3:03:43, 12.18s/it] 964it [3:03:55, 12.16s/it] 965it [3:04:08, 12.16s/it] 966it [3:04:20, 12.17s/it] 967it [3:04:32, 12.19s/it] 968it [3:04:44, 12.09s/it] 969it [3:04:55, 11.85s/it] 970it [3:05:07, 11.94s/it] 971it [3:05:20, 12.04s/it] 972it [3:05:32, 12.10s/it] 973it [3:05:43, 11.74s/it] 974it [3:05:53, 11.25s/it] 975it [3:06:03, 10.92s/it] 976it [3:06:14, 10.85s/it] 977it [3:06:24, 10.62s/it] 978it [3:06:35, 10.71s/it] 979it [3:06:47, 11.16s/it] 980it [3:06:59, 11.44s/it] 981it [3:07:11, 11.64s/it] 982it [3:07:23, 11.79s/it] 983it [3:07:35, 11.90s/it] 984it [3:07:48, 11.98s/it] 985it [3:07:59, 11.90s/it] 986it [3:08:11, 11.77s/it] 987it [3:08:23, 11.86s/it] 988it [3:08:34, 11.52s/it] 989it [3:08:46, 11.65s/it] 990it [3:08:58, 11.79s/it] 991it [3:09:10, 11.89s/it] 992it [3:09:22, 11.97s/it] 993it [3:09:34, 11.97s/it] 994it [3:09:46, 12.00s/it] 995it [3:09:58, 11.99s/it] 996it [3:10:09, 11.85s/it] 997it [3:10:20, 11.34s/it] 998it [3:10:30, 11.16s/it] 999it [3:10:42, 11.33s/it] 1000it [3:10:53, 11.30s/it] 1000it [3:10:53, 11.45s/it] | |
Error counts: | |
linear_id: 0 | |
linear_inchikey: 0 | |
linear_scaffold: 0 | |
linear_mwt: 0 | |
linear_clogp: 0 | |
linear_tpsa: 0 | |
⏰ Completed process in 3:28:09.333015 | |
0it [00:00, ?it/s] 1it [00:09, 9.45s/it] 2it [00:18, 9.15s/it] 3it [00:26, 8.86s/it] 4it [00:36, 9.28s/it] 5it [00:46, 9.37s/it] 6it [00:54, 9.07s/it] 7it [01:03, 8.88s/it] 8it [01:12, 8.89s/it] 9it [01:21, 8.95s/it] 10it [01:30, 8.93s/it] 11it [01:39, 8.97s/it] 12it [01:48, 9.14s/it] 13it [01:58, 9.28s/it] 14it [02:08, 9.38s/it] 15it [02:17, 9.44s/it] 16it [02:27, 9.47s/it] 17it [02:36, 9.51s/it] 18it [02:46, 9.52s/it] 19it [02:54, 9.28s/it] 20it [03:03, 8.98s/it] 21it [03:11, 8.85s/it] 22it [03:21, 9.02s/it] 23it [03:30, 9.10s/it] 24it [03:38, 8.90s/it] 25it [03:47, 8.94s/it] 26it [03:57, 9.08s/it] 27it [04:06, 9.14s/it] 28it [04:15, 9.17s/it] 29it [04:25, 9.22s/it] 30it [04:34, 9.14s/it] 31it [04:42, 8.89s/it] 32it [04:50, 8.73s/it] 33it [04:59, 8.60s/it] 34it [05:07, 8.52s/it] 35it [05:15, 8.45s/it] 36it [05:24, 8.41s/it] 37it [05:32, 8.55s/it] 38it [05:42, 8.75s/it] 39it [05:51, 8.87s/it] 40it [05:59, 8.78s/it] 41it [06:08, 8.73s/it] 42it [06:17, 8.77s/it] 43it [06:26, 8.88s/it] 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880it [2:05:58, 8.18s/it] 881it [2:06:06, 8.17s/it] 882it [2:06:15, 8.16s/it] 883it [2:06:23, 8.17s/it] 884it [2:06:31, 8.18s/it] 885it [2:06:39, 8.17s/it] 886it [2:06:47, 8.16s/it] 887it [2:06:55, 8.15s/it] 888it [2:07:04, 8.15s/it] 889it [2:07:12, 8.14s/it] 890it [2:07:20, 8.14s/it] 891it [2:07:28, 8.14s/it] 892it [2:07:36, 8.15s/it] 893it [2:07:44, 8.15s/it] 894it [2:07:52, 8.15s/it] 895it [2:08:01, 8.15s/it] 896it [2:08:09, 8.14s/it] 897it [2:08:17, 8.15s/it] 898it [2:08:25, 8.15s/it] 899it [2:08:33, 8.13s/it] 900it [2:08:41, 8.14s/it] 901it [2:08:49, 8.14s/it] 902it [2:08:58, 8.15s/it] 903it [2:09:06, 8.14s/it] 904it [2:09:14, 8.15s/it] 905it [2:09:22, 8.15s/it] 906it [2:09:30, 8.14s/it] 907it [2:09:38, 8.14s/it] 908it [2:09:46, 8.13s/it] 909it [2:09:55, 8.13s/it] 910it [2:10:03, 8.11s/it] 911it [2:10:11, 8.12s/it] 912it [2:10:19, 8.13s/it] 913it [2:10:27, 8.14s/it] 914it [2:10:35, 8.14s/it] 915it [2:10:43, 8.14s/it] 916it [2:10:51, 8.14s/it] 917it [2:11:00, 8.14s/it] 918it [2:11:08, 8.13s/it] 919it [2:11:16, 8.13s/it] 920it [2:11:24, 8.13s/it] 921it [2:11:32, 8.13s/it] 922it [2:11:40, 8.13s/it] 923it [2:11:48, 8.13s/it] 924it [2:11:57, 8.14s/it] 925it [2:12:05, 8.15s/it] 926it [2:12:13, 8.15s/it] 927it [2:12:21, 8.13s/it] 928it [2:12:29, 8.13s/it] 929it [2:12:37, 8.14s/it] 930it [2:12:45, 8.14s/it] 931it [2:12:54, 8.15s/it] 932it [2:13:02, 8.15s/it] 933it [2:13:10, 8.15s/it] 934it [2:13:18, 8.15s/it] 935it [2:13:26, 8.14s/it] 936it [2:13:34, 8.14s/it] 937it [2:13:42, 8.13s/it] 938it [2:13:50, 8.12s/it] 939it [2:13:59, 8.12s/it] 940it [2:14:07, 8.13s/it] 941it [2:14:15, 8.13s/it] 942it [2:14:23, 8.13s/it] 943it [2:14:31, 8.13s/it] 944it [2:14:39, 8.13s/it] 945it [2:14:47, 8.12s/it] 946it [2:14:55, 8.13s/it] 947it [2:15:04, 8.12s/it] 948it [2:15:12, 8.11s/it] 949it [2:15:20, 8.12s/it] 950it [2:15:28, 8.16s/it] 951it [2:15:36, 8.21s/it] 952it [2:15:45, 8.20s/it] 953it [2:15:53, 8.18s/it] 954it [2:16:01, 8.16s/it] 955it [2:16:09, 8.15s/it] 956it [2:16:17, 8.14s/it] 957it [2:16:25, 8.12s/it] 958it [2:16:33, 8.12s/it] 959it [2:16:41, 8.13s/it] 960it [2:16:50, 8.13s/it] 961it [2:16:58, 8.14s/it] 962it [2:17:06, 8.14s/it] 963it [2:17:14, 8.14s/it] 964it [2:17:22, 8.14s/it] 965it [2:17:30, 8.14s/it] 966it [2:17:38, 8.13s/it] 967it [2:17:47, 8.13s/it] 968it [2:17:55, 8.12s/it] 969it [2:18:03, 8.13s/it] 970it [2:18:11, 8.13s/it] 971it [2:18:19, 8.14s/it] 972it [2:18:27, 8.14s/it] 973it [2:18:35, 8.14s/it] 974it [2:18:44, 8.15s/it] 975it [2:18:52, 8.15s/it] 976it [2:19:00, 8.16s/it] 977it [2:19:08, 8.16s/it] 978it [2:19:16, 8.14s/it] 979it [2:19:24, 8.15s/it] 980it [2:19:32, 8.16s/it] 981it [2:19:41, 8.17s/it] 982it [2:19:49, 8.17s/it] 983it [2:19:57, 8.16s/it] 984it [2:20:05, 8.16s/it] 985it [2:20:13, 8.15s/it] 986it [2:20:21, 8.16s/it] 987it [2:20:30, 8.15s/it] 988it [2:20:38, 8.14s/it] 989it [2:20:46, 8.13s/it] 990it [2:20:54, 8.13s/it] 991it [2:21:02, 8.13s/it] 992it [2:21:10, 8.14s/it] 993it [2:21:18, 8.12s/it] 994it [2:21:26, 8.12s/it] 995it [2:21:35, 8.11s/it] 996it [2:21:43, 8.12s/it] 997it [2:21:51, 8.13s/it] 998it [2:21:59, 8.13s/it] 999it [2:22:07, 8.14s/it] 1000it [2:22:15, 8.15s/it] 1000it [2:22:15, 8.54s/it] | |
Error counts: | |
cysteine_to_N_cyclization: 0 | |
⏰ Completed process in 5:50:25.759005 | |
0it [00:00, ?it/s] 1it [00:10, 10.59s/it] 2it [00:21, 10.51s/it] 3it [00:31, 10.44s/it] 4it [00:41, 10.47s/it] 5it [00:52, 10.46s/it] 6it [01:02, 10.49s/it] 7it [01:13, 10.50s/it] 8it [01:23, 10.48s/it] 9it [01:34, 10.49s/it] 10it [01:44, 10.50s/it] 11it [01:55, 10.49s/it] 12it [02:05, 10.48s/it] 13it [02:16, 10.46s/it] 14it [02:26, 10.47s/it] 15it [02:37, 10.49s/it] 16it [02:47, 10.48s/it] 17it [02:58, 10.47s/it] 18it [03:08, 10.47s/it] 19it [03:19, 10.46s/it] 20it [03:29, 10.45s/it] 21it [03:39, 10.45s/it] 22it [03:50, 10.45s/it] 23it [04:00, 10.46s/it] 24it [04:11, 10.45s/it] 25it [04:21, 10.45s/it] 26it [04:32, 10.49s/it] 27it [04:42, 10.49s/it] 28it [04:53, 10.51s/it] 29it [05:03, 10.50s/it] 30it [05:14, 10.49s/it] 31it [05:24, 10.48s/it] 32it [05:35, 10.51s/it] 33it [05:45, 10.48s/it] 34it [05:56, 10.47s/it] 35it [06:06, 10.46s/it] 36it [06:17, 10.46s/it] 37it [06:27, 10.46s/it] 38it [06:38, 10.45s/it] 39it [06:48, 10.44s/it] 40it [06:58, 10.45s/it] 41it [07:09, 10.44s/it] 42it [07:19, 10.43s/it] 43it [07:30, 10.42s/it] 44it [07:40, 10.39s/it] 45it [07:50, 10.41s/it] 46it [08:01, 10.42s/it] 47it [08:11, 10.43s/it] 48it [08:22, 10.42s/it] 49it [08:32, 10.42s/it] 50it [08:43, 10.42s/it] 51it [08:53, 10.45s/it] 52it [09:03, 10.44s/it] 53it [09:14, 10.44s/it] 54it [09:24, 10.46s/it] 55it [09:35, 10.43s/it] 56it [09:45, 10.43s/it] 57it [09:56, 10.46s/it] 58it [10:06, 10.47s/it] 59it [10:17, 10.47s/it] 60it [10:27, 10.48s/it] 61it [10:38, 10.49s/it] 62it [10:48, 10.47s/it] 63it [10:59, 10.45s/it] 64it [11:09, 10.44s/it] 65it [11:19, 10.46s/it] 66it [11:30, 10.44s/it] 67it [11:40, 10.45s/it] 68it [11:51, 10.47s/it] 69it [12:01, 10.45s/it] 70it [12:12, 10.47s/it] 71it [12:22, 10.46s/it] 72it [12:33, 10.45s/it] 73it [12:43, 10.45s/it] 74it [12:53, 10.43s/it] 75it [13:04, 10.44s/it] 76it [13:14, 10.46s/it] 77it [13:25, 10.46s/it] 78it [13:35, 10.46s/it] 79it [13:46, 10.45s/it] 80it [13:56, 10.44s/it] 81it [14:07, 10.43s/it] 82it [14:17, 10.44s/it] 83it [14:27, 10.42s/it] 84it [14:38, 10.43s/it] 85it [14:48, 10.44s/it] 86it [14:59, 10.42s/it] 87it [15:09, 10.44s/it] 88it [15:20, 10.45s/it] 89it [15:30, 10.48s/it] 90it [15:41, 10.50s/it] 91it [15:51, 10.51s/it] 92it [16:02, 10.50s/it] 93it [16:12, 10.52s/it] 94it [16:23, 10.51s/it] 95it [16:33, 10.53s/it] 96it [16:44, 10.51s/it] 97it [16:54, 10.48s/it] 98it [17:05, 10.48s/it] 99it [17:15, 10.47s/it] 100it [17:26, 10.46s/it] 101it [17:36, 10.46s/it] 102it [17:47, 10.44s/it] 103it [17:57, 10.46s/it] 104it [18:07, 10.45s/it] 105it [18:18, 10.45s/it] 106it [18:28, 10.46s/it] 107it [18:39, 10.47s/it] 108it [18:49, 10.48s/it] 109it [19:00, 10.48s/it] 110it [19:10, 10.46s/it] 111it [19:21, 10.44s/it] 112it [19:31, 10.44s/it] 113it [19:42, 10.47s/it] 114it [19:52, 10.47s/it] 115it [20:03, 10.46s/it] 116it [20:13, 10.47s/it] 117it [20:24, 10.48s/it] 118it [20:34, 10.46s/it] 119it [20:45, 10.49s/it] 120it [20:55, 10.49s/it] 121it [21:05, 10.46s/it] 122it [21:16, 10.46s/it] 123it [21:26, 10.46s/it] 124it [21:37, 10.45s/it] 125it [21:47, 10.48s/it] 126it [21:58, 10.46s/it] 127it [22:08, 10.46s/it] 128it [22:19, 10.48s/it] 129it [22:29, 10.46s/it] 130it [22:40, 10.49s/it] 131it [22:50, 10.51s/it] 132it [23:01, 10.51s/it] 133it [23:11, 10.52s/it] 134it [23:22, 10.50s/it] 135it [23:32, 10.49s/it] 136it [23:43, 10.48s/it] 137it [23:53, 10.47s/it] 138it [24:04, 10.48s/it] 139it [24:14, 10.48s/it] 140it [24:25, 10.50s/it] 141it [24:35, 10.47s/it] 142it [24:46, 10.48s/it] 143it [24:56, 10.48s/it] 144it [25:07, 10.50s/it] 145it [25:17, 10.51s/it] 146it [25:28, 10.48s/it] 147it [25:38, 10.49s/it] 148it [25:49, 10.51s/it] 149it [25:59, 10.49s/it] 150it [26:10, 10.52s/it] 151it [26:20, 10.52s/it] 152it [26:31, 10.49s/it] 153it [26:41, 10.50s/it] 154it [26:52, 10.49s/it] 155it [27:02, 10.49s/it] 156it [27:12, 10.46s/it] 157it [27:23, 10.46s/it] 158it [27:33, 10.48s/it] 159it [27:44, 10.45s/it] 160it [27:54, 10.47s/it] 161it [28:05, 10.48s/it] 162it [28:15, 10.47s/it] 163it [28:26, 10.48s/it] 164it [28:36, 10.48s/it] 165it [28:47, 10.50s/it] 166it [28:57, 10.55s/it] 167it [29:08, 10.56s/it] 168it [29:19, 10.56s/it] 169it [29:29, 10.56s/it] 170it [29:40, 10.60s/it] 171it [29:51, 10.63s/it] 172it [30:01, 10.64s/it] 173it [30:12, 10.59s/it] 174it [30:22, 10.60s/it] 175it [30:33, 10.60s/it] 176it [30:44, 10.65s/it] 177it [30:54, 10.64s/it] 178it [31:05, 10.66s/it] 179it [31:16, 10.62s/it] 180it [31:26, 10.61s/it] 181it [31:37, 10.62s/it] 182it [31:47, 10.58s/it] 183it [31:58, 10.61s/it] 184it [32:08, 10.60s/it] 185it [32:19, 10.57s/it] 186it [32:30, 10.59s/it] 187it [32:40, 10.58s/it] 188it [32:51, 10.57s/it] 189it [33:01, 10.58s/it] 190it [33:12, 10.57s/it] 191it [33:22, 10.56s/it] 192it [33:33, 10.58s/it] 193it [33:44, 10.55s/it] 194it [33:54, 10.54s/it] 195it [34:05, 10.56s/it] 196it [34:15, 10.54s/it] 197it [34:26, 10.54s/it] 198it [34:36, 10.55s/it] 199it [34:47, 10.52s/it] 200it [34:57, 10.55s/it] 201it [35:08, 10.55s/it] 202it [35:18, 10.55s/it] 203it [35:29, 10.54s/it] 204it [35:39, 10.51s/it] 205it [35:50, 10.50s/it] 206it [36:00, 10.47s/it] 207it [36:11, 10.47s/it] 208it [36:21, 10.46s/it] 209it [36:32, 10.48s/it] 210it [36:42, 10.49s/it] 211it [36:53, 10.52s/it] 212it [37:03, 10.51s/it] 213it [37:14, 10.52s/it] 214it [37:24, 10.52s/it] 215it [37:35, 10.50s/it] 216it [37:45, 10.54s/it] 217it [37:56, 10.53s/it] 218it [38:06, 10.51s/it] 219it [38:17, 10.49s/it] 220it [38:27, 10.51s/it] 221it [38:38, 10.52s/it] 222it [38:48, 10.52s/it] 223it [38:59, 10.51s/it] 224it [39:09, 10.50s/it] 225it [39:20, 10.50s/it] 226it [39:30, 10.50s/it] 227it [39:41, 10.51s/it] 228it [39:51, 10.51s/it] 229it [40:02, 10.50s/it] 230it [40:13, 10.66s/it] 231it [40:24, 10.78s/it] 232it [40:35, 10.84s/it] 233it [40:46, 10.89s/it] 234it [40:57, 10.91s/it] 235it [41:08, 10.99s/it] 236it [41:19, 10.96s/it] 237it [41:30, 10.91s/it] 238it [41:41, 10.96s/it] 239it [41:52, 11.01s/it] 240it [42:03, 11.06s/it] 241it [42:14, 11.08s/it] 242it [42:25, 11.07s/it] 243it [42:36, 11.06s/it] 244it [42:48, 11.10s/it] 245it [42:59, 11.08s/it] 246it [43:10, 11.08s/it] 247it [43:21, 11.09s/it] 248it [43:32, 11.12s/it] 249it [43:43, 11.08s/it] 250it [43:54, 11.05s/it] 251it [44:05, 10.97s/it] 252it [44:15, 10.86s/it] 253it [44:26, 10.80s/it] 254it [44:37, 10.76s/it] 255it [44:47, 10.74s/it] 256it [44:58, 10.74s/it] 257it [45:09, 10.73s/it] 258it [45:20, 10.72s/it] 259it [45:30, 10.68s/it] 260it [45:41, 10.69s/it] 261it [45:52, 10.69s/it] 262it [46:02, 10.67s/it] 263it [46:13, 10.68s/it] 264it [46:24, 10.68s/it] 265it [46:34, 10.69s/it] 266it [46:45, 10.69s/it] 267it [46:56, 10.70s/it] 268it [47:06, 10.69s/it] 269it [47:17, 10.70s/it] 270it [47:28, 10.70s/it] 271it [47:38, 10.68s/it] 272it [47:49, 10.70s/it] 273it [48:00, 10.71s/it] 274it [48:11, 10.70s/it] 275it [48:21, 10.72s/it] 276it [48:32, 10.73s/it] 277it [48:43, 10.73s/it] 278it [48:54, 10.75s/it] 279it [49:04, 10.74s/it] 280it [49:15, 10.80s/it] 281it [49:26, 10.80s/it] 282it [49:37, 10.80s/it] 283it [49:48, 10.81s/it] 284it [49:59, 10.86s/it] 285it [50:09, 10.84s/it] 286it [50:20, 10.83s/it] 287it [50:31, 10.85s/it] 288it [50:42, 10.87s/it] 289it [50:53, 10.95s/it] 290it [51:04, 10.99s/it] 291it [51:15, 11.00s/it] 292it [51:27, 11.08s/it] 293it [51:38, 11.14s/it] 294it [51:49, 11.14s/it] 295it [52:00, 11.10s/it] 296it [52:11, 11.13s/it] 297it [52:22, 11.14s/it] 298it [52:33, 11.10s/it] 299it [52:44, 11.09s/it] 300it [52:56, 11.09s/it] 301it [53:07, 11.11s/it] 302it [53:18, 11.14s/it] 303it [53:29, 11.13s/it] 304it [53:40, 11.10s/it] 305it [53:51, 11.09s/it] 306it [54:02, 11.03s/it] 307it [54:13, 10.98s/it] 308it [54:24, 10.96s/it] 309it [54:35, 10.99s/it] 310it [54:46, 10.97s/it] 311it [54:57, 10.99s/it] 312it [55:08, 11.00s/it] 313it [55:19, 11.00s/it] 314it [55:30, 11.01s/it] 315it [55:41, 11.04s/it] 316it [55:52, 11.01s/it] 317it [56:03, 10.95s/it] 318it [56:13, 10.88s/it] 319it [56:24, 10.84s/it] 320it [56:35, 10.82s/it] 321it [56:46, 10.83s/it] 322it [56:57, 10.81s/it] 323it [57:07, 10.83s/it] 324it 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[2:24:11, 10.69s/it] 807it [2:24:21, 10.66s/it] 808it [2:24:32, 10.67s/it] 809it [2:24:43, 10.67s/it] 810it [2:24:53, 10.68s/it] 811it [2:25:04, 10.69s/it] 812it [2:25:15, 10.66s/it] 813it [2:25:25, 10.65s/it] 814it [2:25:36, 10.66s/it] 815it [2:25:47, 10.70s/it] 816it [2:25:58, 10.76s/it] 817it [2:26:09, 10.80s/it] 818it [2:26:19, 10.82s/it] 819it [2:26:30, 10.78s/it] 820it [2:26:41, 10.76s/it] 821it [2:26:52, 10.75s/it] 822it [2:27:02, 10.71s/it] 823it [2:27:13, 10.70s/it] 824it [2:27:24, 10.70s/it] 825it [2:27:34, 10.69s/it] 826it [2:27:45, 10.68s/it] 827it [2:27:56, 10.69s/it] 828it [2:28:06, 10.65s/it] 829it [2:28:17, 10.65s/it] 830it [2:28:27, 10.63s/it] 831it [2:28:38, 10.63s/it] 832it [2:28:49, 10.64s/it] 833it [2:28:59, 10.65s/it] 834it [2:29:10, 10.63s/it] 835it [2:29:21, 10.62s/it] 836it [2:29:31, 10.60s/it] 837it [2:29:42, 10.62s/it] 838it [2:29:52, 10.63s/it] 839it [2:30:03, 10.62s/it] 840it [2:30:14, 10.62s/it] 841it [2:30:24, 10.62s/it] 842it [2:30:35, 10.62s/it] 843it [2:30:46, 10.62s/it] 844it [2:30:56, 10.61s/it] 845it [2:31:07, 10.61s/it] 846it [2:31:17, 10.58s/it] 847it [2:31:28, 10.60s/it] 848it [2:31:38, 10.59s/it] 849it [2:31:49, 10.60s/it] 850it [2:32:00, 10.60s/it] 851it [2:32:10, 10.61s/it] 852it [2:32:21, 10.57s/it] 853it [2:32:31, 10.58s/it] 854it [2:32:42, 10.61s/it] 855it [2:32:53, 10.61s/it] 856it [2:33:03, 10.62s/it] 857it [2:33:14, 10.63s/it] 858it [2:33:25, 10.62s/it] 859it [2:33:35, 10.63s/it] 860it [2:33:46, 10.64s/it] 861it [2:33:56, 10.60s/it] 862it [2:34:07, 10.61s/it] 863it [2:34:18, 10.59s/it] 864it [2:34:28, 10.59s/it] 865it [2:34:39, 10.61s/it] 866it [2:34:49, 10.61s/it] 867it [2:35:00, 10.60s/it] 868it [2:35:11, 10.62s/it] 869it [2:35:21, 10.64s/it] 870it [2:35:32, 10.63s/it] 871it [2:35:43, 10.62s/it] 872it [2:35:53, 10.60s/it] 873it [2:36:04, 10.59s/it] 874it [2:36:14, 10.63s/it] 875it [2:36:25, 10.64s/it] 876it [2:36:36, 10.62s/it] 877it [2:36:46, 10.61s/it] 878it [2:36:57, 10.60s/it] 879it [2:37:07, 10.61s/it] 880it [2:37:18, 10.62s/it] 881it [2:37:29, 10.61s/it] 882it [2:37:39, 10.62s/it] 883it [2:37:50, 10.64s/it] 884it [2:38:01, 10.64s/it] 885it [2:38:11, 10.64s/it] 886it [2:38:22, 10.62s/it] 887it [2:38:32, 10.61s/it] 888it [2:38:43, 10.61s/it] 889it [2:38:54, 10.58s/it] 890it [2:39:04, 10.58s/it] 891it [2:39:15, 10.58s/it] 892it [2:39:25, 10.59s/it] 893it [2:39:36, 10.59s/it] 894it [2:39:47, 10.60s/it] 895it [2:39:57, 10.58s/it] 896it [2:40:08, 10.58s/it] 897it [2:40:18, 10.58s/it] 898it [2:40:29, 10.57s/it] 899it [2:40:39, 10.57s/it] 900it [2:40:50, 10.60s/it] 901it [2:41:01, 10.60s/it] 902it [2:41:11, 10.62s/it] 903it [2:41:22, 10.61s/it] 904it [2:41:32, 10.61s/it] 905it [2:41:43, 10.62s/it] 906it [2:41:54, 10.62s/it] 907it [2:42:04, 10.60s/it] 908it [2:42:15, 10.60s/it] 909it [2:42:26, 10.60s/it] 910it [2:42:36, 10.58s/it] 911it [2:42:47, 10.61s/it] 912it [2:42:57, 10.61s/it] 913it [2:43:08, 10.62s/it] 914it [2:43:19, 10.63s/it] 915it [2:43:29, 10.63s/it] 916it [2:43:40, 10.61s/it] 917it [2:43:50, 10.60s/it] 918it [2:44:01, 10.59s/it] 919it [2:44:12, 10.61s/it] 920it [2:44:22, 10.63s/it] 921it [2:44:33, 10.63s/it] 922it [2:44:44, 10.62s/it] 923it [2:44:54, 10.62s/it] 924it [2:45:05, 10.63s/it] 925it [2:45:16, 10.66s/it] 926it [2:45:26, 10.65s/it] 927it [2:45:37, 10.60s/it] 928it [2:45:47, 10.61s/it] 929it [2:45:58, 10.60s/it] 930it [2:46:08, 10.60s/it] 931it [2:46:19, 10.60s/it] 932it [2:46:30, 10.60s/it] 933it [2:46:40, 10.60s/it] 934it [2:46:51, 10.58s/it] 935it [2:47:01, 10.59s/it] 936it [2:47:12, 10.59s/it] 937it [2:47:23, 10.58s/it] 938it [2:47:33, 10.58s/it] 939it [2:47:44, 10.58s/it] 940it [2:47:54, 10.57s/it] 941it [2:48:05, 10.62s/it] 942it [2:48:16, 10.65s/it] 943it [2:48:26, 10.67s/it] 944it [2:48:37, 10.70s/it] 945it [2:48:48, 10.71s/it] 946it [2:48:59, 10.71s/it] 947it [2:49:09, 10.72s/it] 948it [2:49:20, 10.71s/it] 949it [2:49:31, 10.66s/it] 950it [2:49:41, 10.65s/it] 951it [2:49:52, 10.65s/it] 952it [2:50:02, 10.62s/it] 953it [2:50:13, 10.60s/it] 954it [2:50:24, 10.59s/it] 955it [2:50:34, 10.60s/it] 956it [2:50:45, 10.60s/it] 957it [2:50:55, 10.58s/it] 958it [2:51:06, 10.58s/it] 959it [2:51:17, 10.59s/it] 960it [2:51:27, 10.56s/it] 961it [2:51:38, 10.56s/it] 962it [2:51:48, 10.56s/it] 963it [2:51:59, 10.54s/it] 964it [2:52:09, 10.56s/it] 965it [2:52:20, 10.57s/it] 966it [2:52:30, 10.56s/it] 967it [2:52:41, 10.55s/it] 968it [2:52:51, 10.52s/it] 969it [2:53:02, 10.54s/it] 970it [2:53:12, 10.53s/it] 971it [2:53:23, 10.55s/it] 972it [2:53:34, 10.57s/it] 973it [2:53:44, 10.58s/it] 974it [2:53:55, 10.59s/it] 975it [2:54:05, 10.58s/it] 976it [2:54:16, 10.58s/it] 977it [2:54:27, 10.57s/it] 978it [2:54:37, 10.54s/it] 979it [2:54:48, 10.56s/it] 980it [2:54:58, 10.56s/it] 981it [2:55:09, 10.57s/it] 982it [2:55:19, 10.58s/it] 983it [2:55:30, 10.57s/it] 984it [2:55:41, 10.59s/it] 985it [2:55:51, 10.57s/it] 986it [2:56:02, 10.56s/it] 987it [2:56:12, 10.57s/it] 988it [2:56:23, 10.57s/it] 989it [2:56:33, 10.54s/it] 990it [2:56:44, 10.55s/it] 991it [2:56:54, 10.58s/it] 992it [2:57:05, 10.59s/it] 993it [2:57:16, 10.57s/it] 994it [2:57:26, 10.55s/it] 995it [2:57:37, 10.55s/it] 996it [2:57:47, 10.55s/it] 997it [2:57:58, 10.55s/it] 998it [2:58:08, 10.54s/it] 999it [2:58:19, 10.55s/it] 1000it [2:58:29, 10.55s/it] 1000it [2:58:29, 10.71s/it] | |
Error counts: | |
cyclic_id: 0 | |
cyclic_inchikey: 0 | |
cyclic_scaffold: 0 | |
cyclic_mwt: 0 | |
cyclic_clogp: 0 | |
cyclic_tpsa: 0 | |
⏰ Completed process in 8:48:56.654953 | |
0it [00:00, ?it/s] 1it [00:00, 4.65it/s] 2it [00:00, 6.53it/s] 3it [00:00, 7.65it/s] 4it [00:00, 8.27it/s] 5it [00:00, 8.74it/s] 6it [00:00, 8.96it/s] 7it [00:00, 9.16it/s] 8it [00:00, 9.23it/s] 9it [00:01, 9.33it/s] 10it [00:01, 9.39it/s] 11it [00:01, 9.44it/s] 12it [00:01, 9.48it/s] 13it [00:01, 9.50it/s] 14it [00:01, 9.54it/s] 15it [00:01, 9.51it/s] 16it [00:01, 9.51it/s] 17it [00:01, 9.55it/s] 18it [00:02, 9.57it/s] 19it [00:02, 9.54it/s] 20it [00:02, 9.57it/s] 21it [00:02, 9.56it/s] 22it [00:02, 9.52it/s] 23it [00:02, 9.51it/s] 24it [00:02, 9.53it/s] 25it [00:02, 9.55it/s] 26it [00:02, 9.58it/s] 27it [00:02, 9.55it/s] 28it [00:03, 9.58it/s] 29it [00:03, 9.55it/s] 30it [00:03, 9.50it/s] 31it [00:03, 9.46it/s] 32it [00:03, 9.49it/s] 33it [00:03, 9.45it/s] 34it [00:03, 9.47it/s] 35it [00:03, 9.49it/s] 36it [00:03, 9.52it/s] 37it [00:03, 9.56it/s] 38it [00:04, 9.55it/s] 39it [00:04, 9.55it/s] 40it [00:04, 9.58it/s] 41it [00:04, 9.57it/s] 42it [00:04, 9.56it/s] 43it [00:04, 9.54it/s] 44it [00:04, 9.58it/s] 45it [00:04, 9.61it/s] 46it [00:04, 9.58it/s] 47it [00:05, 9.55it/s] 48it [00:05, 9.58it/s] 49it [00:05, 9.58it/s] 50it [00:05, 9.58it/s] 51it [00:05, 9.54it/s] 52it [00:05, 9.54it/s] 53it [00:05, 9.57it/s] 54it [00:05, 9.56it/s] 55it [00:05, 9.53it/s] 56it [00:05, 9.54it/s] 57it [00:06, 9.55it/s] 58it [00:06, 9.57it/s] 59it [00:06, 9.59it/s] 60it [00:06, 9.59it/s] 61it [00:06, 9.59it/s] 62it [00:06, 9.58it/s] 63it [00:06, 9.57it/s] 64it [00:06, 9.57it/s] 65it [00:06, 9.56it/s] 66it [00:07, 9.59it/s] 67it [00:07, 9.61it/s] 68it [00:07, 9.55it/s] 69it [00:07, 9.55it/s] 70it [00:07, 9.51it/s] 71it [00:07, 9.52it/s] 72it [00:07, 9.54it/s] 73it [00:07, 9.56it/s] 74it [00:07, 9.57it/s] 75it [00:07, 9.55it/s] 76it [00:08, 9.54it/s] 77it [00:08, 9.57it/s] 78it [00:08, 9.57it/s] 79it [00:08, 9.56it/s] 80it [00:08, 9.59it/s] 81it [00:08, 9.60it/s] 82it [00:08, 9.57it/s] 83it [00:08, 9.57it/s] 84it [00:08, 9.57it/s] 85it [00:09, 9.59it/s] 86it [00:09, 9.56it/s] 87it [00:09, 9.58it/s] 88it [00:09, 9.63it/s] 89it [00:09, 9.63it/s] 90it [00:09, 9.63it/s] 91it [00:09, 9.60it/s] 92it [00:09, 9.59it/s] 93it [00:09, 9.55it/s] 94it [00:09, 9.55it/s] 95it [00:10, 9.52it/s] 96it [00:10, 9.52it/s] 97it [00:10, 9.53it/s] 98it [00:10, 9.56it/s] 99it [00:10, 9.57it/s] 100it [00:10, 9.53it/s] 101it [00:10, 9.55it/s] 102it [00:10, 9.58it/s] 103it [00:10, 9.53it/s] 104it [00:11, 9.53it/s] 105it [00:11, 9.54it/s] 106it [00:11, 9.56it/s] 107it [00:11, 9.56it/s] 108it [00:11, 9.50it/s] 109it [00:11, 9.50it/s] 110it [00:11, 9.53it/s] 111it [00:11, 9.51it/s] 112it [00:11, 9.52it/s] 113it [00:11, 9.55it/s] 114it [00:12, 9.55it/s] 115it [00:12, 9.53it/s] 116it [00:12, 9.52it/s] 117it [00:12, 9.53it/s] 118it [00:12, 9.55it/s] 119it [00:12, 9.52it/s] 120it [00:12, 9.51it/s] 121it [00:12, 9.53it/s] 122it [00:12, 9.57it/s] 123it [00:12, 9.57it/s] 124it [00:13, 9.57it/s] 125it [00:13, 9.58it/s] 126it [00:13, 9.54it/s] 127it [00:13, 9.54it/s] 128it [00:13, 9.54it/s] 129it 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9.44it/s] 1000it [01:45, 9.51it/s] | |
Split counts: | |
train: 674000 | |
test: 164000 | |
validation: 162000 | |
⏰ Completed process in 8:50:43.211235 | |
++ date | |
+ echo 'Sat 2 Nov 00:46:32 GMT 2024 :: 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-15000000-16000000.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-15000000-16000000.csv.gz | |
+ split_dir=20241101_peptides_6-12x100M/train | |
++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-15000000-16000000.csv.gz .csv.gz | |
+ split_file=20241101_peptides_6-12x100M/train/peptides_length-10_n-100000000_slice-15000000-16000000.csv.gz | |
+ mkdir -p 20241101_peptides_6-12x100M/train | |
++ date | |
+ echo 'Sat 2 Nov 00:46:32 GMT 2024 :: Saving train...' | |
Sat 2 Nov 00:46:32 GMT 2024 :: Saving train... | |
+ zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-15000000-16000000.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 00:47:31 GMT 2024 :: 20241101_peptides_6-12x100M/train/peptides_length-10_n-100000000_slice-15000000-16000000.csv.gz' | |
+ for split in train test validation | |
++ dirname 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-15000000-16000000.csv.gz | |
+ split_dir=20241101_peptides_6-12x100M/test | |
++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-15000000-16000000.csv.gz .csv.gz | |
+ split_file=20241101_peptides_6-12x100M/test/peptides_length-10_n-100000000_slice-15000000-16000000.csv.gz | |
+ mkdir -p 20241101_peptides_6-12x100M/test | |
++ date | |
+ echo 'Sat 2 Nov 00:47:31 GMT 2024 :: Saving test...' | |
Sat 2 Nov 00:47:31 GMT 2024 :: Saving test... | |
+ zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-15000000-16000000.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 00:47:56 GMT 2024 :: 20241101_peptides_6-12x100M/test/peptides_length-10_n-100000000_slice-15000000-16000000.csv.gz' | |
+ for split in train test validation | |
++ dirname 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-15000000-16000000.csv.gz | |
+ split_dir=20241101_peptides_6-12x100M/validation | |
++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-15000000-16000000.csv.gz .csv.gz | |
+ split_file=20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-15000000-16000000.csv.gz | |
+ mkdir -p 20241101_peptides_6-12x100M/validation | |
++ date | |
+ echo 'Sat 2 Nov 00:47:56 GMT 2024 :: Saving validation...' | |
Sat 2 Nov 00:47:56 GMT 2024 :: Saving validation... | |
+ zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-15000000-16000000.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 00:48:22 GMT 2024 :: 20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-15000000-16000000.csv.gz' | |
+ '[' -e 20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-15000000-16000000.csv.gz.success ']' | |
+ rm 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-15000000-16000000.csv.gz 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-15000000-16000000.csv.gz.success | |
+ set +x | |
Sat 2 Nov 00:48:22 GMT 2024 > Peptide generation complete | |