Fri 1 Nov 15:56:17 GMT 2024 > Generating peptides on cn060 GNU bash, version 4.4.20(1)-release (x86_64-redhat-linux-gnu) Copyright (C) 2016 Free Software Foundation, Inc. License GPLv3+: GNU GPL version 3 or later This is free software; you are free to change and redistribute it. There is NO WARRANTY, to the extent permitted by law. Fri 1 Nov 15:56:17 GMT 2024 > Running /camp/apps/eb/software/Anaconda3/2023.03/bin/python : Python 3.10.10 Fri 1 Nov 15:56:17 GMT 2024 > Using Conda from . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Fri 1 Nov 15:56:18 GMT 2024 > Seed = 1; length = 10; max. number = 100000000; slice = 17000000 to 18000000; output dir. = 20241101_peptides_6-12x100M Fri 1 Nov 15:56:18 GMT 2024 > There are 10240000000000 peptides of length 10; generating 100000000 (0.000976563 %) Fri 1 Nov 15:56:18 GMT 2024 > Saving a slice to 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-17000000-18000000.csv.gz... + schemist enumerate --seed 1 --max-length 10 --prefix GY --suffix CGSGSGS --number 9.76563e-06 --slice 17000000 18000000 + 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 + schemist convert --column SMILES --to id inchikey scaffold mwt clogp tpsa --prefix linear_ --options prefix=SCB- + gzip --best 🚀 Splitting table with the following parameters: subcommand: split output: <_io.TextIOWrapper name='' mode='w' encoding='utf-8'> format: None input: <_io.TextIOWrapper name='' mode='r' encoding='utf-8'> representation: SMILES column: cysteine_to_N_cyclization prefix: None type: random train: 0.7 test: 0.15 seed: 1 func: 🚀 Enumerating peptides with the following parameters: subcommand: enumerate output: <_io.TextIOWrapper name='' mode='w' encoding='utf-8'> format: None to: SMILES options: None alphabet: GALVITSMCPFYWHKRDENQ max_length: 10 min_length: None number: 9.76563e-06 slice: ['17000000', '18000000'] seed: 1 prefix: GY suffix: CGSGSGS type: aa d_aa_only: False include_d_aa: False func: Sampling 100000051 (0.000976562998046875 %) peptides from length 10 to 10 (10240000000000 combinations). Probability of collision if drawing randomly is 1.0, with 976.9924758407456 (0.000976991977574837 %) collisions on average. > Executing naive sampling. 🚀 Converting between string representations with the following parameters: subcommand: convert output: <_io.TextIOWrapper name='' mode='w' encoding='utf-8'> format: None input: <_io.TextIOWrapper name='' mode='r' encoding='utf-8'> representation: SMILES column: cysteine_to_N_cyclization prefix: cyclic_ to: ['id', 'inchikey', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] func: 0it [00:00, ?it/s]🚀 Reacting peptides with the following parameters: subcommand: react output: <_io.TextIOWrapper name='' mode='w' encoding='utf-8'> format: None input: <_io.TextIOWrapper name='' mode='r' encoding='utf-8'> representation: SMILES column: SMILES name: None reaction: ['cysteine_to_N_cyclization'] func: 🚀 Converting between string representations with the following parameters: subcommand: convert output: <_io.TextIOWrapper name='' mode='w' encoding='utf-8'> format: None input: <_io.TextIOWrapper name='' mode='r' encoding='utf-8'> representation: SMILES column: SMILES prefix: linear_ to: ['id', 'inchikey', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] func: 1it [00:30, 30.35s/it] 2it [00:31, 13.06s/it] 3it [00:32, 7.53s/it] 4it [00:33, 4.95s/it] 5it [00:34, 3.52s/it] 6it [00:35, 2.66s/it] 7it [00:36, 2.11s/it] 8it [00:37, 1.75s/it] 9it [00:38, 1.52s/it] 10it [00:39, 1.36s/it] 11it [00:40, 1.25s/it] 12it [00:41, 1.18s/it] 13it [00:42, 1.13s/it] 14it [00:43, 1.09s/it] 15it [00:44, 1.06s/it] 16it [00:45, 1.05s/it] 17it [00:46, 1.04s/it] 18it [00:47, 1.04s/it] 19it [00:48, 1.04s/it] 20it [00:49, 1.03s/it] 21it [00:50, 1.02s/it] 22it [00:51, 1.03s/it] 23it [00:52, 1.02s/it] 24it [00:53, 1.02s/it] 25it [00:54, 1.02s/it] 26it [00:55, 1.01s/it] 27it [00:56, 1.01s/it] 28it [00:57, 1.01s/it] 29it [00:58, 1.01s/it] 30it [00:59, 1.01s/it] 31it [01:00, 1.01s/it] 32it [01:01, 1.03s/it] 33it [01:02, 1.02s/it] 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1.02s/it] 867it [15:12, 1.01s/it] 868it [15:13, 1.01s/it] 869it [15:14, 1.01s/it] 870it [15:15, 1.01s/it] 871it [15:16, 1.01s/it] 872it [15:17, 1.01s/it] 873it [15:18, 1.01s/it] 874it [15:19, 1.01s/it] 875it [15:20, 1.01s/it] 876it [15:21, 1.00s/it] 877it [15:22, 1.00s/it] 878it [15:24, 1.01s/it] 879it [15:25, 1.01s/it] 880it [15:26, 1.02s/it] 881it [15:27, 1.03s/it] 882it [15:28, 1.02s/it] 883it [15:29, 1.02s/it] 884it [15:30, 1.01s/it] 885it [15:31, 1.02s/it] 886it [15:32, 1.01s/it] 887it [15:33, 1.01s/it] 888it [15:34, 1.02s/it] 889it [15:35, 1.02s/it] 890it [15:36, 1.03s/it] 891it [15:37, 1.03s/it] 892it [15:38, 1.03s/it] 893it [15:39, 1.03s/it] 894it [15:40, 1.02s/it] 895it [15:41, 1.03s/it] 896it [15:42, 1.03s/it] 897it [15:43, 1.03s/it] 898it [15:44, 1.03s/it] 899it [15:45, 1.04s/it] 900it [15:46, 1.03s/it] 901it [15:47, 1.03s/it] 902it [15:48, 1.04s/it] 903it [15:49, 1.03s/it] 904it [15:50, 1.03s/it] 905it [15:51, 1.04s/it] 906it [15:52, 1.04s/it] 907it [15:53, 1.03s/it] 908it [15:54, 1.02s/it] 909it [15:55, 1.02s/it] 910it [15:56, 1.03s/it] 911it [15:57, 1.04s/it] 912it [15:58, 1.04s/it] 913it [16:00, 1.04s/it] 914it [16:01, 1.03s/it] 915it [16:02, 1.03s/it] 916it [16:03, 1.03s/it] 917it [16:04, 1.03s/it] 918it [16:05, 1.03s/it] 919it [16:06, 1.04s/it] 920it [16:07, 1.03s/it] 921it [16:08, 1.02s/it] 922it [16:09, 1.03s/it] 923it [16:10, 1.03s/it] 924it [16:11, 1.02s/it] 925it [16:12, 1.03s/it] 926it [16:13, 1.02s/it] 927it [16:14, 1.02s/it] 928it [16:15, 1.03s/it] 929it [16:16, 1.03s/it] 930it [16:17, 1.04s/it] 931it [16:18, 1.05s/it] 932it [16:19, 1.05s/it] 933it [16:20, 1.05s/it] 934it [16:21, 1.04s/it] 935it [16:22, 1.03s/it] 936it [16:23, 1.03s/it] 937it [16:24, 1.03s/it] 938it [16:25, 1.03s/it] 939it [16:26, 1.02s/it] 940it [16:27, 1.04s/it] 941it [16:28, 1.04s/it] 942it [16:29, 1.05s/it] 943it [16:31, 1.04s/it] 944it [16:32, 1.04s/it] 945it [16:33, 1.04s/it] 946it [16:34, 1.04s/it] 947it [16:35, 1.03s/it] 948it [16:36, 1.03s/it] 949it [16:37, 1.03s/it] 950it [16:38, 1.04s/it] 951it [16:39, 1.05s/it] 952it [16:40, 1.07s/it] 953it [16:41, 1.06s/it] 954it [16:42, 1.05s/it] 955it [16:43, 1.05s/it] 956it [16:44, 1.05s/it] 957it [16:45, 1.05s/it] 958it [16:46, 1.07s/it] 959it [16:47, 1.06s/it] 960it [16:48, 1.04s/it] 961it [16:49, 1.03s/it] 962it [16:50, 1.05s/it] 963it [16:51, 1.04s/it] 964it [16:53, 1.05s/it] 965it [16:54, 1.06s/it] 966it [16:55, 1.05s/it] 967it [16:56, 1.04s/it] 968it [16:57, 1.05s/it] 969it [16:58, 1.05s/it] 970it [16:59, 1.05s/it] 971it [17:00, 1.05s/it] 972it [17:01, 1.04s/it] 973it [17:02, 1.04s/it] 974it [17:03, 1.03s/it] 975it [17:04, 1.04s/it] 976it [17:05, 1.04s/it] 977it [17:06, 1.04s/it] 978it [17:07, 1.05s/it] 979it [17:08, 1.04s/it] 980it [17:09, 1.04s/it] 981it [17:10, 1.03s/it] 982it [17:11, 1.03s/it] 983it [17:12, 1.03s/it] 984it [17:13, 1.02s/it] 985it [17:14, 1.03s/it] 986it [17:15, 1.03s/it] 987it [17:16, 1.03s/it] 988it [17:17, 1.05s/it] 989it [17:19, 1.04s/it] 990it [17:20, 1.04s/it] 991it [17:21, 1.04s/it] 992it [17:22, 1.05s/it] 993it [17:23, 1.04s/it] 994it [17:24, 1.04s/it] 995it [17:25, 1.03s/it] 996it [17:26, 1.03s/it] 997it [17:27, 1.02s/it] 998it [17:28, 1.04s/it] 999it [17:29, 1.04s/it] 1000it [17:30, 1.03s/it] 1000it [17:30, 1.05s/it] Enumerated peptides: Number of peptides: 1000000 Conversion errors: SMILES: 0 ⏰ Completed process in 0:17:30.388667 0it [00:00, ?it/s] 1it [00:11, 11.15s/it] 2it [00:22, 11.17s/it] 3it [00:33, 11.17s/it] 4it [00:44, 11.11s/it] 5it [00:55, 11.06s/it] 6it [01:06, 11.03s/it] 7it [01:17, 11.01s/it] 8it [01:28, 11.07s/it] 9it [01:39, 11.04s/it] 10it [01:50, 11.01s/it] 11it [02:01, 11.00s/it] 12it [02:12, 10.96s/it] 13it [02:23, 11.00s/it] 14it [02:34, 10.99s/it] 15it [02:45, 10.99s/it] 16it [02:56, 10.96s/it] 17it [03:07, 10.97s/it] 18it [03:18, 10.98s/it] 19it [03:29, 11.00s/it] 20it [03:40, 11.02s/it] 21it [03:51, 11.03s/it] 22it [04:02, 11.05s/it] 23it [04:13, 11.04s/it] 24it [04:24, 11.09s/it] 25it [04:36, 11.15s/it] 26it [04:47, 11.16s/it] 27it [04:58, 11.16s/it] 28it [05:09, 11.13s/it] 29it [05:20, 11.16s/it] 30it [05:31, 11.15s/it] 31it [05:43, 11.17s/it] 32it [05:54, 11.17s/it] 33it [06:05, 11.15s/it] 34it [06:16, 11.14s/it] 35it [06:27, 11.12s/it] 36it [06:38, 11.12s/it] 37it [06:49, 11.09s/it] 38it [07:00, 11.10s/it] 39it [07:11, 11.05s/it] 40it [07:22, 11.01s/it] 41it [07:33, 11.02s/it] 42it [07:44, 11.03s/it] 43it [07:55, 11.07s/it] 44it [08:07, 11.11s/it] 45it [08:18, 11.08s/it] 46it [08:29, 11.03s/it] 47it [08:40, 11.01s/it] 48it [08:51, 11.05s/it] 49it [09:02, 11.06s/it] 50it [09:13, 11.09s/it] 51it [09:24, 11.08s/it] 52it [09:35, 11.09s/it] 53it [09:46, 11.06s/it] 54it [09:57, 11.05s/it] 55it [10:08, 11.08s/it] 56it [10:19, 11.12s/it] 57it [10:31, 11.14s/it] 58it [10:42, 11.18s/it] 59it [10:53, 11.17s/it] 60it [11:04, 11.14s/it] 61it [11:15, 11.14s/it] 62it [11:26, 11.12s/it] 63it [11:38, 11.17s/it] 64it [11:49, 11.18s/it] 65it [12:00, 11.16s/it] 66it [12:11, 11.25s/it] 67it [12:23, 11.30s/it] 68it [12:34, 11.34s/it] 69it [12:46, 11.43s/it] 70it [12:57, 11.44s/it] 71it [13:09, 11.43s/it] 72it [13:20, 11.43s/it] 73it [13:32, 11.44s/it] 74it [13:43, 11.40s/it] 75it [13:54, 11.24s/it] 76it [14:05, 11.09s/it] 77it [14:15, 10.96s/it] 78it [14:26, 10.88s/it] 79it [14:36, 10.79s/it] 80it [14:47, 10.72s/it] 81it [14:58, 10.70s/it] 82it [15:08, 10.65s/it] 83it [15:19, 10.67s/it] 84it [15:30, 10.65s/it] 85it [15:40, 10.65s/it] 86it [15:51, 10.64s/it] 87it [16:01, 10.63s/it] 88it [16:12, 10.61s/it] 89it [16:23, 10.59s/it] 90it [16:33, 10.57s/it] 91it [16:44, 10.55s/it] 92it [16:54, 10.55s/it] 93it [17:05, 10.53s/it] 94it [17:15, 10.48s/it] 95it [17:25, 10.46s/it] 96it [17:36, 10.43s/it] 97it [17:46, 10.42s/it] 98it [17:56, 10.38s/it] 99it [18:07, 10.35s/it] 100it [18:17, 10.34s/it] 101it [18:27, 10.32s/it] 102it [18:38, 10.31s/it] 103it [18:48, 10.29s/it] 104it [18:58, 10.27s/it] 105it [19:08, 10.29s/it] 106it [19:19, 10.29s/it] 107it [19:29, 10.27s/it] 108it [19:39, 10.26s/it] 109it [19:49, 10.26s/it] 110it [20:00, 10.26s/it] 111it [20:10, 10.25s/it] 112it [20:20, 10.23s/it] 113it [20:30, 10.25s/it] 114it [20:41, 10.24s/it] 115it [20:51, 10.21s/it] 116it [21:01, 10.20s/it] 117it [21:11, 10.22s/it] 118it [21:21, 10.23s/it] 119it [21:32, 10.22s/it] 120it [21:42, 10.22s/it] 121it [21:52, 10.23s/it] 122it [22:02, 10.22s/it] 123it [22:13, 10.24s/it] 124it [22:23, 10.23s/it] 125it [22:33, 10.23s/it] 126it [22:43, 10.23s/it] 127it [22:53, 10.23s/it] 128it [23:04, 10.26s/it] 129it [23:14, 10.26s/it] 130it [23:24, 10.26s/it] 131it [23:35, 10.27s/it] 132it [23:45, 10.30s/it] 133it [23:55, 10.28s/it] 134it [24:05, 10.26s/it] 135it [24:16, 10.27s/it] 136it [24:26, 10.23s/it] 137it [24:36, 10.23s/it] 138it [24:46, 10.22s/it] 139it [24:56, 10.22s/it] 140it [25:07, 10.29s/it] 141it [25:17, 10.31s/it] 142it [25:28, 10.29s/it] 143it [25:38, 10.31s/it] 144it [25:48, 10.30s/it] 145it [25:58, 10.29s/it] 146it [26:09, 10.28s/it] 147it [26:19, 10.25s/it] 148it [26:29, 10.23s/it] 149it [26:39, 10.24s/it] 150it [26:50, 10.26s/it] 151it [27:00, 10.25s/it] 152it [27:10, 10.26s/it] 153it [27:20, 10.28s/it] 154it [27:31, 10.26s/it] 155it [27:41, 10.23s/it] 156it [27:51, 10.23s/it] 157it [28:01, 10.22s/it] 158it [28:11, 10.20s/it] 159it [28:22, 10.18s/it] 160it [28:32, 10.20s/it] 161it [28:42, 10.23s/it] 162it [28:52, 10.24s/it] 163it [29:03, 10.25s/it] 164it [29:13, 10.27s/it] 165it [29:23, 10.26s/it] 166it [29:33, 10.22s/it] 167it [29:43, 10.21s/it] 168it [29:54, 10.22s/it] 169it [30:04, 10.21s/it] 170it [30:14, 10.21s/it] 171it [30:24, 10.22s/it] 172it [30:35, 10.22s/it] 173it [30:45, 10.21s/it] 174it [30:55, 10.24s/it] 175it [31:05, 10.24s/it] 176it [31:16, 10.24s/it] 177it [31:26, 10.25s/it] 178it [31:36, 10.24s/it] 179it [31:46, 10.24s/it] 180it [31:57, 10.26s/it] 181it [32:07, 10.26s/it] 182it [32:17, 10.26s/it] 183it [32:27, 10.26s/it] 184it [32:38, 10.25s/it] 185it [32:48, 10.24s/it] 186it [32:58, 10.25s/it] 187it [33:08, 10.24s/it] 188it [33:19, 10.24s/it] 189it [33:29, 10.24s/it] 190it [33:39, 10.23s/it] 191it [33:49, 10.24s/it] 192it [34:00, 10.24s/it] 193it [34:10, 10.27s/it] 194it [34:20, 10.26s/it] 195it [34:30, 10.24s/it] 196it [34:41, 10.24s/it] 197it [34:51, 10.24s/it] 198it [35:01, 10.23s/it] 199it [35:11, 10.24s/it] 200it [35:21, 10.21s/it] 201it [35:32, 10.24s/it] 202it [35:42, 10.25s/it] 203it [35:52, 10.24s/it] 204it [36:02, 10.23s/it] 205it [36:13, 10.22s/it] 206it [36:23, 10.20s/it] 207it [36:33, 10.20s/it] 208it [36:43, 10.18s/it] 209it [36:53, 10.18s/it] 210it [37:03, 10.16s/it] 211it [37:14, 10.17s/it] 212it [37:24, 10.16s/it] 213it [37:34, 10.12s/it] 214it [37:44, 10.14s/it] 215it [37:54, 10.16s/it] 216it [38:04, 10.19s/it] 217it [38:15, 10.19s/it] 218it [38:25, 10.17s/it] 219it [38:35, 10.19s/it] 220it [38:45, 10.19s/it] 221it [38:55, 10.18s/it] 222it [39:06, 10.21s/it] 223it [39:16, 10.21s/it] 224it [39:26, 10.21s/it] 225it [39:36, 10.21s/it] 226it [39:47, 10.24s/it] 227it [39:57, 10.25s/it] 228it [40:07, 10.25s/it] 229it [40:17, 10.26s/it] 230it [40:27, 10.24s/it] 231it [40:38, 10.27s/it] 232it [40:48, 10.26s/it] 233it [40:58, 10.26s/it] 234it [41:09, 10.24s/it] 235it [41:19, 10.25s/it] 236it [41:29, 10.25s/it] 237it [41:39, 10.27s/it] 238it [41:50, 10.25s/it] 239it [42:00, 10.25s/it] 240it [42:10, 10.24s/it] 241it [42:20, 10.25s/it] 242it [42:31, 10.24s/it] 243it [42:41, 10.23s/it] 244it [42:51, 10.24s/it] 245it [43:01, 10.22s/it] 246it [43:11, 10.21s/it] 247it [43:22, 10.20s/it] 248it [43:32, 10.20s/it] 249it [43:42, 10.22s/it] 250it [43:52, 10.22s/it] 251it [44:02, 10.22s/it] 252it [44:13, 10.24s/it] 253it [44:23, 10.24s/it] 254it [44:33, 10.26s/it] 255it [44:43, 10.25s/it] 256it [44:54, 10.26s/it] 257it [45:04, 10.22s/it] 258it [45:14, 10.21s/it] 259it [45:24, 10.22s/it] 260it [45:35, 10.23s/it] 261it [45:45, 10.22s/it] 262it [45:55, 10.21s/it] 263it [46:05, 10.21s/it] 264it [46:15, 10.22s/it] 265it [46:26, 10.20s/it] 266it [46:36, 10.20s/it] 267it [46:46, 10.20s/it] 268it [46:56, 10.19s/it] 269it [47:06, 10.20s/it] 270it [47:17, 10.20s/it] 271it [47:27, 10.22s/it] 272it [47:37, 10.22s/it] 273it [47:47, 10.21s/it] 274it [47:58, 10.23s/it] 275it [48:08, 10.23s/it] 276it [48:18, 10.23s/it] 277it [48:28, 10.24s/it] 278it [48:38, 10.22s/it] 279it [48:49, 10.23s/it] 280it [48:59, 10.22s/it] 281it [49:09, 10.24s/it] 282it [49:19, 10.23s/it] 283it [49:30, 10.22s/it] 284it [49:40, 10.23s/it] 285it [49:50, 10.22s/it] 286it [50:00, 10.21s/it] 287it [50:10, 10.20s/it] 288it [50:21, 10.21s/it] 289it [50:31, 10.19s/it] 290it [50:41, 10.17s/it] 291it [50:51, 10.16s/it] 292it [51:01, 10.18s/it] 293it [51:11, 10.19s/it] 294it [51:22, 10.20s/it] 295it [51:32, 10.18s/it] 296it [51:42, 10.19s/it] 297it [51:52, 10.19s/it] 298it [52:02, 10.21s/it] 299it [52:13, 10.23s/it] 300it [52:23, 10.23s/it] 301it [52:33, 10.21s/it] 302it [52:43, 10.19s/it] 303it [52:54, 10.20s/it] 304it [53:04, 10.20s/it] 305it [53:14, 10.21s/it] 306it [53:24, 10.24s/it] 307it [53:35, 10.24s/it] 308it [53:45, 10.24s/it] 309it [53:55, 10.22s/it] 310it [54:05, 10.23s/it] 311it [54:15, 10.21s/it] 312it [54:26, 10.22s/it] 313it [54:36, 10.21s/it] 314it [54:46, 10.21s/it] 315it [54:56, 10.24s/it] 316it [55:06, 10.22s/it] 317it [55:17, 10.28s/it] 318it [55:27, 10.24s/it] 319it [55:37, 10.22s/it] 320it [55:47, 10.21s/it] 321it [55:58, 10.20s/it] 322it [56:08, 10.22s/it] 323it [56:18, 10.24s/it] 324it [56:28, 10.23s/it] 325it [56:39, 10.26s/it] 326it [56:49, 10.26s/it] 327it [56:59, 10.27s/it] 328it [57:09, 10.26s/it] 329it [57:20, 10.26s/it] 330it [57:30, 10.26s/it] 331it [57:40, 10.26s/it] 332it [57:50, 10.25s/it] 333it [58:01, 10.25s/it] 334it [58:11, 10.25s/it] 335it [58:21, 10.26s/it] 336it [58:31, 10.26s/it] 337it [58:42, 10.25s/it] 338it [58:52, 10.26s/it] 339it [59:02, 10.26s/it] 340it [59:13, 10.26s/it] 341it [59:23, 10.25s/it] 342it [59:33, 10.25s/it] 343it [59:43, 10.23s/it] 344it [59:53, 10.24s/it] 345it [1:00:04, 10.23s/it] 346it [1:00:14, 10.25s/it] 347it [1:00:24, 10.24s/it] 348it [1:00:34, 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10.47s/it] 830it [2:24:15, 10.47s/it] 831it [2:24:25, 10.49s/it] 832it [2:24:36, 10.52s/it] 833it [2:24:46, 10.51s/it] 834it [2:24:57, 10.50s/it] 835it [2:25:07, 10.51s/it] 836it [2:25:18, 10.50s/it] 837it [2:25:28, 10.47s/it] 838it [2:25:39, 10.50s/it] 839it [2:25:49, 10.47s/it] 840it [2:26:00, 10.49s/it] 841it [2:26:10, 10.50s/it] 842it [2:26:21, 10.49s/it] 843it [2:26:31, 10.47s/it] 844it [2:26:42, 10.46s/it] 845it [2:26:52, 10.44s/it] 846it [2:27:02, 10.44s/it] 847it [2:27:13, 10.40s/it] 848it [2:27:23, 10.40s/it] 849it [2:27:33, 10.39s/it] 850it [2:27:44, 10.39s/it] 851it [2:27:54, 10.41s/it] 852it [2:28:05, 10.40s/it] 853it [2:28:15, 10.43s/it] 854it [2:28:26, 10.44s/it] 855it [2:28:36, 10.44s/it] 856it [2:28:47, 10.47s/it] 857it [2:28:57, 10.46s/it] 858it [2:29:08, 10.46s/it] 859it [2:29:18, 10.44s/it] 860it [2:29:28, 10.46s/it] 861it [2:29:39, 10.46s/it] 862it [2:29:49, 10.46s/it] 863it [2:30:00, 10.47s/it] 864it [2:30:10, 10.46s/it] 865it [2:30:21, 10.45s/it] 866it [2:30:31, 10.49s/it] 867it [2:30:42, 10.43s/it] 868it [2:30:52, 10.44s/it] 869it [2:31:02, 10.42s/it] 870it [2:31:13, 10.40s/it] 871it [2:31:23, 10.39s/it] 872it [2:31:34, 10.40s/it] 873it [2:31:44, 10.40s/it] 874it [2:31:54, 10.39s/it] 875it [2:32:05, 10.40s/it] 876it [2:32:15, 10.42s/it] 877it [2:32:26, 10.42s/it] 878it [2:32:36, 10.43s/it] 879it [2:32:47, 10.44s/it] 880it [2:32:57, 10.45s/it] 881it [2:33:08, 10.49s/it] 882it [2:33:18, 10.48s/it] 883it [2:33:29, 10.48s/it] 884it [2:33:39, 10.48s/it] 885it [2:33:49, 10.47s/it] 886it [2:34:00, 10.47s/it] 887it [2:34:10, 10.44s/it] 888it [2:34:21, 10.43s/it] 889it [2:34:31, 10.43s/it] 890it [2:34:42, 10.43s/it] 891it [2:34:52, 10.45s/it] 892it [2:35:03, 10.44s/it] 893it [2:35:13, 10.46s/it] 894it [2:35:23, 10.46s/it] 895it [2:35:34, 10.46s/it] 896it [2:35:44, 10.46s/it] 897it [2:35:55, 10.46s/it] 898it [2:36:05, 10.46s/it] 899it [2:36:16, 10.46s/it] 900it [2:36:26, 10.46s/it] 901it [2:36:37, 10.47s/it] 902it [2:36:47, 10.48s/it] 903it [2:36:58, 10.49s/it] 904it [2:37:08, 10.50s/it] 905it [2:37:19, 10.50s/it] 906it [2:37:29, 10.49s/it] 907it [2:37:40, 10.46s/it] 908it [2:37:50, 10.46s/it] 909it [2:38:01, 10.47s/it] 910it [2:38:11, 10.47s/it] 911it [2:38:22, 10.48s/it] 912it [2:38:32, 10.47s/it] 913it [2:38:42, 10.43s/it] 914it [2:38:53, 10.42s/it] 915it [2:39:03, 10.44s/it] 916it [2:39:14, 10.46s/it] 917it [2:39:24, 10.45s/it] 918it [2:39:35, 10.47s/it] 919it [2:39:45, 10.48s/it] 920it [2:39:56, 10.47s/it] 921it [2:40:06, 10.49s/it] 922it [2:40:17, 10.47s/it] 923it [2:40:27, 10.46s/it] 924it [2:40:37, 10.41s/it] 925it [2:40:48, 10.40s/it] 926it [2:40:58, 10.42s/it] 927it [2:41:09, 10.41s/it] 928it [2:41:19, 10.43s/it] 929it [2:41:30, 10.45s/it] 930it [2:41:40, 10.45s/it] 931it [2:41:51, 10.48s/it] 932it [2:42:01, 10.46s/it] 933it [2:42:11, 10.47s/it] 934it [2:42:22, 10.45s/it] 935it [2:42:32, 10.44s/it] 936it [2:42:43, 10.43s/it] 937it [2:42:53, 10.40s/it] 938it [2:43:03, 10.39s/it] 939it [2:43:14, 10.39s/it] 940it [2:43:24, 10.40s/it] 941it [2:43:35, 10.40s/it] 942it [2:43:45, 10.38s/it] 943it [2:43:55, 10.37s/it] 944it [2:44:06, 10.38s/it] 945it [2:44:16, 10.37s/it] 946it [2:44:26, 10.39s/it] 947it [2:44:37, 10.37s/it] 948it [2:44:47, 10.37s/it] 949it [2:44:57, 10.36s/it] 950it [2:45:08, 10.36s/it] 951it [2:45:18, 10.37s/it] 952it [2:45:29, 10.37s/it] 953it [2:45:39, 10.39s/it] 954it [2:45:49, 10.38s/it] 955it [2:46:00, 10.39s/it] 956it [2:46:10, 10.39s/it] 957it [2:46:21, 10.38s/it] 958it [2:46:31, 10.41s/it] 959it [2:46:41, 10.40s/it] 960it [2:46:52, 10.40s/it] 961it [2:47:02, 10.38s/it] 962it [2:47:12, 10.37s/it] 963it [2:47:23, 10.38s/it] 964it [2:47:33, 10.38s/it] 965it [2:47:44, 10.37s/it] 966it [2:47:54, 10.40s/it] 967it [2:48:04, 10.40s/it] 968it [2:48:15, 10.44s/it] 969it [2:48:25, 10.43s/it] 970it [2:48:36, 10.43s/it] 971it [2:48:46, 10.42s/it] 972it [2:48:57, 10.42s/it] 973it [2:49:07, 10.42s/it] 974it [2:49:18, 10.44s/it] 975it [2:49:28, 10.45s/it] 976it [2:49:38, 10.44s/it] 977it [2:49:49, 10.42s/it] 978it [2:49:59, 10.42s/it] 979it [2:50:10, 10.41s/it] 980it [2:50:20, 10.41s/it] 981it [2:50:30, 10.41s/it] 982it [2:50:41, 10.38s/it] 983it [2:50:51, 10.36s/it] 984it [2:51:01, 10.36s/it] 985it [2:51:12, 10.35s/it] 986it [2:51:22, 10.36s/it] 987it [2:51:33, 10.39s/it] 988it [2:51:43, 10.37s/it] 989it [2:51:53, 10.35s/it] 990it [2:52:04, 10.32s/it] 991it [2:52:14, 10.33s/it] 992it [2:52:24, 10.31s/it] 993it [2:52:34, 10.29s/it] 994it [2:52:45, 10.27s/it] 995it [2:52:55, 10.26s/it] 996it [2:53:05, 10.30s/it] 997it [2:53:16, 10.31s/it] 998it [2:53:26, 10.33s/it] 999it [2:53:36, 10.34s/it] 1000it [2:53:47, 10.39s/it] 1000it [2:53:47, 10.43s/it] Error counts: linear_id: 0 linear_inchikey: 0 linear_scaffold: 0 linear_mwt: 0 linear_clogp: 0 linear_tpsa: 0 ⏰ Completed process in 3:11:17.527354 0it [00:00, ?it/s] 1it [00:08, 8.68s/it] 2it [00:17, 8.55s/it] 3it [00:25, 8.50s/it] 4it [00:34, 8.52s/it] 5it [00:42, 8.53s/it] 6it [00:51, 8.52s/it] 7it [00:59, 8.53s/it] 8it [01:08, 8.53s/it] 9it [01:16, 8.54s/it] 10it [01:25, 8.55s/it] 11it [01:34, 8.58s/it] 12it [01:42, 8.58s/it] 13it [01:51, 8.58s/it] 14it [01:59, 8.56s/it] 15it [02:08, 8.55s/it] 16it [02:16, 8.55s/it] 17it [02:25, 8.56s/it] 18it [02:33, 8.57s/it] 19it [02:42, 8.57s/it] 20it [02:51, 8.57s/it] 21it [02:59, 8.54s/it] 22it [03:08, 8.52s/it] 23it [03:16, 8.52s/it] 24it [03:25, 8.52s/it] 25it [03:33, 8.55s/it] 26it [03:42, 8.56s/it] 27it [03:50, 8.56s/it] 28it [03:59, 8.52s/it] 29it [04:07, 8.53s/it] 30it [04:16, 8.50s/it] 31it [04:24, 8.47s/it] 32it [04:33, 8.46s/it] 33it [04:41, 8.51s/it] 34it [04:50, 8.55s/it] 35it [04:58, 8.51s/it] 36it [05:07, 8.51s/it] 37it [05:15, 8.56s/it] 38it [05:24, 8.55s/it] 39it [05:33, 8.59s/it] 40it [05:41, 8.59s/it] 41it [05:50, 8.61s/it] 42it [05:59, 8.63s/it] 43it [06:07, 8.61s/it] 44it [06:16, 8.58s/it] 45it [06:24, 8.58s/it] 46it [06:33, 8.64s/it] 47it [06:42, 8.69s/it] 48it [06:51, 8.68s/it] 49it [06:59, 8.70s/it] 50it [07:08, 8.69s/it] 51it [07:16, 8.62s/it] 52it [07:25, 8.56s/it] 53it [07:33, 8.53s/it] 54it [07:42, 8.50s/it] 55it [07:50, 8.47s/it] 56it [07:59, 8.48s/it] 57it [08:07, 8.49s/it] 58it [08:16, 8.50s/it] 59it [08:24, 8.49s/it] 60it [08:32, 8.46s/it] 61it [08:41, 8.45s/it] 62it [08:49, 8.46s/it] 63it [08:58, 8.44s/it] 64it [09:06, 8.43s/it] 65it [09:15, 8.42s/it] 66it [09:23, 8.43s/it] 67it [09:32, 8.45s/it] 68it [09:40, 8.45s/it] 69it [09:48, 8.44s/it] 70it [09:57, 8.44s/it] 71it [10:05, 8.43s/it] 72it [10:14, 8.43s/it] 73it [10:22, 8.40s/it] 74it [10:30, 8.42s/it] 75it [10:39, 8.41s/it] 76it [10:47, 8.42s/it] 77it [10:56, 8.41s/it] 78it [11:04, 8.42s/it] 79it [11:13, 8.40s/it] 80it [11:21, 8.40s/it] 81it [11:29, 8.43s/it] 82it [11:38, 8.42s/it] 83it [11:46, 8.42s/it] 84it [11:55, 8.42s/it] 85it [12:03, 8.42s/it] 86it [12:12, 8.44s/it] 87it [12:20, 8.43s/it] 88it [12:28, 8.42s/it] 89it [12:37, 8.43s/it] 90it [12:45, 8.43s/it] 91it [12:54, 8.41s/it] 92it [13:02, 8.43s/it] 93it [13:11, 8.44s/it] 94it [13:19, 8.43s/it] 95it [13:27, 8.43s/it] 96it [13:36, 8.43s/it] 97it [13:44, 8.43s/it] 98it [13:53, 8.43s/it] 99it [14:01, 8.45s/it] 100it [14:10, 8.44s/it] 101it [14:18, 8.44s/it] 102it [14:26, 8.44s/it] 103it [14:35, 8.46s/it] 104it [14:43, 8.46s/it] 105it [14:52, 8.45s/it] 106it [15:00, 8.45s/it] 107it [15:09, 8.43s/it] 108it [15:17, 8.42s/it] 109it [15:26, 8.44s/it] 110it [15:34, 8.43s/it] 111it [15:42, 8.44s/it] 112it [15:51, 8.42s/it] 113it [15:59, 8.44s/it] 114it [16:08, 8.44s/it] 115it [16:16, 8.42s/it] 116it [16:25, 8.41s/it] 117it [16:33, 8.44s/it] 118it [16:41, 8.43s/it] 119it [16:50, 8.42s/it] 120it [16:58, 8.41s/it] 121it [17:07, 8.41s/it] 122it [17:15, 8.41s/it] 123it [17:23, 8.41s/it] 124it [17:32, 8.42s/it] 125it [17:40, 8.41s/it] 126it [17:49, 8.40s/it] 127it [17:57, 8.43s/it] 128it [18:06, 8.44s/it] 129it [18:14, 8.44s/it] 130it [18:22, 8.43s/it] 131it [18:31, 8.43s/it] 132it [18:39, 8.43s/it] 133it [18:48, 8.42s/it] 134it [18:56, 8.40s/it] 135it [19:04, 8.40s/it] 136it [19:13, 8.40s/it] 137it [19:21, 8.39s/it] 138it [19:30, 8.39s/it] 139it [19:38, 8.40s/it] 140it [19:46, 8.41s/it] 141it [19:55, 8.41s/it] 142it [20:03, 8.40s/it] 143it [20:12, 8.40s/it] 144it [20:20, 8.41s/it] 145it [20:29, 8.42s/it] 146it [20:37, 8.42s/it] 147it [20:45, 8.41s/it] 148it [20:54, 8.40s/it] 149it [21:02, 8.39s/it] 150it [21:10, 8.39s/it] 151it [21:19, 8.39s/it] 152it [21:27, 8.39s/it] 153it [21:36, 8.39s/it] 154it [21:44, 8.39s/it] 155it [21:52, 8.38s/it] 156it [22:01, 8.37s/it] 157it [22:09, 8.38s/it] 158it [22:17, 8.36s/it] 159it [22:26, 8.35s/it] 160it [22:34, 8.36s/it] 161it [22:43, 8.39s/it] 162it [22:51, 8.36s/it] 163it [22:59, 8.35s/it] 164it [23:08, 8.36s/it] 165it [23:16, 8.35s/it] 166it [23:24, 8.35s/it] 167it [23:33, 8.36s/it] 168it [23:41, 8.35s/it] 169it [23:49, 8.34s/it] 170it [23:58, 8.33s/it] 171it [24:06, 8.33s/it] 172it [24:14, 8.34s/it] 173it [24:23, 8.34s/it] 174it [24:31, 8.37s/it] 175it [24:39, 8.37s/it] 176it [24:48, 8.37s/it] 177it [24:56, 8.38s/it] 178it [25:05, 8.40s/it] 179it [25:13, 8.41s/it] 180it [25:21, 8.39s/it] 181it [25:30, 8.40s/it] 182it [25:38, 8.40s/it] 183it [25:47, 8.39s/it] 184it [25:55, 8.40s/it] 185it [26:03, 8.40s/it] 186it [26:12, 8.39s/it] 187it [26:20, 8.40s/it] 188it [26:29, 8.41s/it] 189it [26:37, 8.41s/it] 190it [26:45, 8.40s/it] 191it [26:54, 8.40s/it] 192it [27:02, 8.41s/it] 193it [27:11, 8.43s/it] 194it [27:19, 8.44s/it] 195it [27:28, 8.44s/it] 196it [27:36, 8.42s/it] 197it [27:44, 8.42s/it] 198it [27:53, 8.42s/it] 199it [28:01, 8.43s/it] 200it [28:10, 8.41s/it] 201it [28:18, 8.43s/it] 202it [28:27, 8.44s/it] 203it [28:35, 8.44s/it] 204it [28:44, 8.44s/it] 205it [28:52, 8.46s/it] 206it [29:00, 8.46s/it] 207it [29:09, 8.47s/it] 208it [29:17, 8.47s/it] 209it [29:26, 8.47s/it] 210it [29:34, 8.45s/it] 211it [29:43, 8.46s/it] 212it [29:51, 8.45s/it] 213it [30:00, 8.46s/it] 214it [30:08, 8.45s/it] 215it [30:17, 8.46s/it] 216it [30:25, 8.46s/it] 217it [30:33, 8.44s/it] 218it [30:42, 8.44s/it] 219it [30:51, 8.49s/it] 220it [30:59, 8.49s/it] 221it [31:07, 8.48s/it] 222it [31:16, 8.48s/it] 223it [31:24, 8.46s/it] 224it [31:33, 8.46s/it] 225it [31:41, 8.43s/it] 226it [31:50, 8.47s/it] 227it [31:58, 8.48s/it] 228it [32:07, 8.47s/it] 229it [32:15, 8.45s/it] 230it [32:24, 8.44s/it] 231it [32:32, 8.46s/it] 232it [32:40, 8.44s/it] 233it [32:49, 8.44s/it] 234it [32:57, 8.45s/it] 235it [33:06, 8.43s/it] 236it [33:14, 8.43s/it] 237it [33:23, 8.44s/it] 238it [33:31, 8.42s/it] 239it [33:39, 8.43s/it] 240it [33:48, 8.44s/it] 241it [33:56, 8.45s/it] 242it [34:05, 8.43s/it] 243it [34:13, 8.44s/it] 244it [34:22, 8.43s/it] 245it [34:30, 8.42s/it] 246it [34:38, 8.44s/it] 247it [34:47, 8.43s/it] 248it [34:55, 8.42s/it] 249it [35:04, 8.42s/it] 250it [35:12, 8.42s/it] 251it [35:21, 8.42s/it] 252it [35:29, 8.43s/it] 253it [35:37, 8.41s/it] 254it [35:46, 8.44s/it] 255it [35:54, 8.42s/it] 256it [36:03, 8.42s/it] 257it [36:11, 8.41s/it] 258it [36:19, 8.41s/it] 259it [36:28, 8.41s/it] 260it [36:36, 8.41s/it] 261it [36:45, 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[1:26:51, 8.44s/it] 620it [1:27:00, 8.43s/it] 621it [1:27:08, 8.45s/it] 622it [1:27:17, 8.45s/it] 623it [1:27:25, 8.44s/it] 624it [1:27:34, 8.45s/it] 625it [1:27:42, 8.45s/it] 626it [1:27:50, 8.43s/it] 627it [1:27:59, 8.44s/it] 628it [1:28:07, 8.44s/it] 629it [1:28:16, 8.44s/it] 630it [1:28:24, 8.44s/it] 631it [1:28:33, 8.46s/it] 632it [1:28:41, 8.45s/it] 633it [1:28:49, 8.44s/it] 634it [1:28:58, 8.44s/it] 635it [1:29:06, 8.43s/it] 636it [1:29:15, 8.43s/it] 637it [1:29:23, 8.43s/it] 638it [1:29:32, 8.43s/it] 639it [1:29:40, 8.42s/it] 640it [1:29:48, 8.43s/it] 641it [1:29:57, 8.43s/it] 642it [1:30:05, 8.42s/it] 643it [1:30:14, 8.43s/it] 644it [1:30:22, 8.43s/it] 645it [1:30:31, 8.44s/it] 646it [1:30:39, 8.43s/it] 647it [1:30:48, 8.50s/it] 648it [1:30:57, 8.60s/it] 649it [1:31:05, 8.67s/it] 650it [1:31:14, 8.74s/it] 651it [1:31:23, 8.72s/it] 652it [1:31:32, 8.75s/it] 653it [1:31:40, 8.71s/it] 654it [1:31:49, 8.61s/it] 655it [1:31:57, 8.56s/it] 656it [1:32:06, 8.53s/it] 657it [1:32:14, 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696it [1:37:43, 8.44s/it] 697it [1:37:52, 8.42s/it] 698it [1:38:00, 8.42s/it] 699it [1:38:08, 8.44s/it] 700it [1:38:17, 8.42s/it] 701it [1:38:25, 8.44s/it] 702it [1:38:34, 8.43s/it] 703it [1:38:42, 8.45s/it] 704it [1:38:51, 8.43s/it] 705it [1:38:59, 8.43s/it] 706it [1:39:07, 8.42s/it] 707it [1:39:16, 8.43s/it] 708it [1:39:24, 8.43s/it] 709it [1:39:33, 8.40s/it] 710it [1:39:41, 8.40s/it] 711it [1:39:49, 8.40s/it] 712it [1:39:58, 8.39s/it] 713it [1:40:06, 8.39s/it] 714it [1:40:15, 8.39s/it] 715it [1:40:23, 8.38s/it] 716it [1:40:31, 8.39s/it] 717it [1:40:40, 8.41s/it] 718it [1:40:48, 8.41s/it] 719it [1:40:57, 8.42s/it] 720it [1:41:05, 8.43s/it] 721it [1:41:13, 8.42s/it] 722it [1:41:22, 8.42s/it] 723it [1:41:30, 8.41s/it] 724it [1:41:39, 8.41s/it] 725it [1:41:47, 8.40s/it] 726it [1:41:56, 8.41s/it] 727it [1:42:04, 8.41s/it] 728it [1:42:12, 8.40s/it] 729it [1:42:21, 8.40s/it] 730it [1:42:29, 8.40s/it] 731it [1:42:37, 8.38s/it] 732it [1:42:46, 8.39s/it] 733it [1:42:54, 8.40s/it] 734it [1:43:03, 8.39s/it] 735it [1:43:11, 8.39s/it] 736it [1:43:19, 8.40s/it] 737it [1:43:28, 8.41s/it] 738it [1:43:36, 8.41s/it] 739it [1:43:45, 8.42s/it] 740it [1:43:53, 8.44s/it] 741it [1:44:02, 8.42s/it] 742it [1:44:10, 8.43s/it] 743it [1:44:18, 8.41s/it] 744it [1:44:27, 8.39s/it] 745it [1:44:35, 8.42s/it] 746it [1:44:44, 8.42s/it] 747it [1:44:52, 8.42s/it] 748it [1:45:01, 8.43s/it] 749it [1:45:09, 8.44s/it] 750it [1:45:18, 8.46s/it] 751it [1:45:26, 8.48s/it] 752it [1:45:34, 8.47s/it] 753it [1:45:43, 8.47s/it] 754it [1:45:51, 8.48s/it] 755it [1:46:00, 8.49s/it] 756it [1:46:08, 8.49s/it] 757it [1:46:17, 8.50s/it] 758it [1:46:25, 8.50s/it] 759it [1:46:34, 8.51s/it] 760it [1:46:43, 8.51s/it] 761it [1:46:51, 8.48s/it] 762it [1:46:59, 8.45s/it] 763it [1:47:08, 8.46s/it] 764it [1:47:16, 8.45s/it] 765it [1:47:25, 8.43s/it] 766it [1:47:33, 8.44s/it] 767it [1:47:42, 8.44s/it] 768it [1:47:50, 8.44s/it] 769it [1:47:58, 8.44s/it] 770it [1:48:07, 8.45s/it] 771it [1:48:15, 8.43s/it] 772it [1:48:24, 8.42s/it] 773it [1:48:32, 8.42s/it] 774it [1:48:40, 8.40s/it] 775it [1:48:49, 8.40s/it] 776it [1:48:57, 8.40s/it] 777it [1:49:06, 8.41s/it] 778it [1:49:14, 8.39s/it] 779it [1:49:22, 8.38s/it] 780it [1:49:31, 8.39s/it] 781it [1:49:39, 8.39s/it] 782it [1:49:48, 8.38s/it] 783it [1:49:56, 8.40s/it] 784it [1:50:04, 8.38s/it] 785it [1:50:13, 8.36s/it] 786it [1:50:21, 8.37s/it] 787it [1:50:29, 8.36s/it] 788it [1:50:38, 8.34s/it] 789it [1:50:46, 8.37s/it] 790it [1:50:54, 8.37s/it] 791it [1:51:03, 8.38s/it] 792it [1:51:11, 8.40s/it] 793it [1:51:20, 8.40s/it] 794it [1:51:28, 8.38s/it] 795it [1:51:36, 8.37s/it] 796it [1:51:45, 8.37s/it] 797it [1:51:53, 8.37s/it] 798it [1:52:01, 8.35s/it] 799it [1:52:10, 8.34s/it] 800it [1:52:18, 8.35s/it] 801it [1:52:26, 8.35s/it] 802it [1:52:35, 8.36s/it] 803it [1:52:43, 8.36s/it] 804it [1:52:52, 8.36s/it] 805it [1:53:00, 8.37s/it] 806it [1:53:08, 8.35s/it] 807it [1:53:17, 8.33s/it] 808it [1:53:25, 8.35s/it] 809it [1:53:33, 8.36s/it] 810it [1:53:42, 8.37s/it] 811it [1:53:50, 8.34s/it] 812it [1:53:58, 8.35s/it] 813it [1:54:07, 8.34s/it] 814it [1:54:15, 8.33s/it] 815it [1:54:23, 8.35s/it] 816it [1:54:32, 8.38s/it] 817it [1:54:40, 8.39s/it] 818it [1:54:49, 8.40s/it] 819it [1:54:57, 8.43s/it] 820it [1:55:06, 8.42s/it] 821it [1:55:14, 8.42s/it] 822it [1:55:22, 8.43s/it] 823it [1:55:31, 8.42s/it] 824it [1:55:39, 8.43s/it] 825it [1:55:48, 8.43s/it] 826it [1:55:56, 8.44s/it] 827it [1:56:05, 8.43s/it] 828it [1:56:13, 8.41s/it] 829it [1:56:21, 8.41s/it] 830it [1:56:30, 8.43s/it] 831it [1:56:38, 8.46s/it] 832it [1:56:47, 8.47s/it] 833it [1:56:55, 8.47s/it] 834it [1:57:04, 8.49s/it] 835it [1:57:12, 8.52s/it] 836it [1:57:21, 8.50s/it] 837it [1:57:29, 8.49s/it] 838it [1:57:38, 8.50s/it] 839it [1:57:46, 8.50s/it] 840it [1:57:55, 8.50s/it] 841it [1:58:03, 8.50s/it] 842it [1:58:12, 8.49s/it] 843it [1:58:20, 8.48s/it] 844it [1:58:29, 8.48s/it] 845it [1:58:37, 8.47s/it] 846it [1:58:46, 8.47s/it] 847it [1:58:54, 8.45s/it] 848it [1:59:03, 8.47s/it] 849it [1:59:11, 8.46s/it] 850it [1:59:19, 8.45s/it] 851it [1:59:28, 8.45s/it] 852it [1:59:36, 8.44s/it] 853it [1:59:45, 8.43s/it] 854it [1:59:53, 8.44s/it] 855it [2:00:02, 8.44s/it] 856it [2:00:10, 8.43s/it] 857it [2:00:18, 8.43s/it] 858it [2:00:27, 8.41s/it] 859it [2:00:35, 8.42s/it] 860it [2:00:44, 8.42s/it] 861it [2:00:52, 8.43s/it] 862it [2:01:01, 8.44s/it] 863it [2:01:09, 8.43s/it] 864it [2:01:18, 8.45s/it] 865it [2:01:26, 8.46s/it] 866it [2:01:34, 8.46s/it] 867it [2:01:43, 8.45s/it] 868it [2:01:51, 8.46s/it] 869it [2:02:00, 8.44s/it] 870it [2:02:08, 8.45s/it] 871it [2:02:17, 8.45s/it] 872it [2:02:25, 8.47s/it] 873it [2:02:34, 8.46s/it] 874it [2:02:42, 8.46s/it] 875it [2:02:51, 8.46s/it] 876it [2:02:59, 8.46s/it] 877it [2:03:07, 8.45s/it] 878it [2:03:16, 8.46s/it] 879it [2:03:24, 8.46s/it] 880it [2:03:33, 8.46s/it] 881it [2:03:41, 8.47s/it] 882it [2:03:50, 8.47s/it] 883it [2:03:58, 8.46s/it] 884it [2:04:07, 8.47s/it] 885it [2:04:15, 8.45s/it] 886it [2:04:24, 8.43s/it] 887it [2:04:32, 8.43s/it] 888it [2:04:41, 8.45s/it] 889it [2:04:49, 8.46s/it] 890it [2:04:57, 8.46s/it] 891it [2:05:06, 8.46s/it] 892it [2:05:14, 8.46s/it] 893it [2:05:23, 8.45s/it] 894it [2:05:31, 8.45s/it] 895it [2:05:40, 8.46s/it] 896it [2:05:48, 8.46s/it] 897it [2:05:57, 8.48s/it] 898it [2:06:05, 8.50s/it] 899it [2:06:14, 8.48s/it] 900it [2:06:22, 8.47s/it] 901it [2:06:31, 8.47s/it] 902it [2:06:39, 8.48s/it] 903it [2:06:48, 8.51s/it] 904it [2:06:56, 8.51s/it] 905it [2:07:05, 8.53s/it] 906it [2:07:13, 8.52s/it] 907it [2:07:22, 8.49s/it] 908it [2:07:30, 8.48s/it] 909it [2:07:39, 8.48s/it] 910it [2:07:47, 8.50s/it] 911it [2:07:56, 8.51s/it] 912it [2:08:04, 8.54s/it] 913it [2:08:13, 8.51s/it] 914it [2:08:21, 8.47s/it] 915it [2:08:30, 8.47s/it] 916it [2:08:38, 8.46s/it] 917it [2:08:46, 8.46s/it] 918it [2:08:55, 8.49s/it] 919it [2:09:04, 8.52s/it] 920it [2:09:12, 8.51s/it] 921it [2:09:21, 8.52s/it] 922it [2:09:29, 8.50s/it] 923it [2:09:38, 8.50s/it] 924it [2:09:46, 8.46s/it] 925it [2:09:54, 8.47s/it] 926it [2:10:03, 8.48s/it] 927it [2:10:12, 8.50s/it] 928it [2:10:20, 8.50s/it] 929it [2:10:29, 8.51s/it] 930it [2:10:37, 8.52s/it] 931it [2:10:46, 8.58s/it] 932it [2:10:54, 8.55s/it] 933it [2:11:03, 8.56s/it] 934it [2:11:11, 8.56s/it] 935it [2:11:20, 8.57s/it] 936it [2:11:28, 8.53s/it] 937it [2:11:37, 8.52s/it] 938it [2:11:46, 8.53s/it] 939it [2:11:54, 8.54s/it] 940it [2:12:03, 8.53s/it] 941it [2:12:11, 8.54s/it] 942it [2:12:20, 8.55s/it] 943it [2:12:28, 8.58s/it] 944it [2:12:37, 8.60s/it] 945it [2:12:46, 8.60s/it] 946it [2:12:54, 8.62s/it] 947it [2:13:03, 8.60s/it] 948it [2:13:12, 8.62s/it] 949it [2:13:20, 8.63s/it] 950it [2:13:29, 8.65s/it] 951it [2:13:38, 8.64s/it] 952it [2:13:46, 8.62s/it] 953it [2:13:55, 8.63s/it] 954it [2:14:03, 8.62s/it] 955it [2:14:12, 8.63s/it] 956it [2:14:21, 8.63s/it] 957it [2:14:29, 8.62s/it] 958it [2:14:38, 8.65s/it] 959it [2:14:47, 8.67s/it] 960it [2:14:55, 8.63s/it] 961it [2:15:04, 8.56s/it] 962it [2:15:12, 8.56s/it] 963it [2:15:21, 8.59s/it] 964it [2:15:29, 8.58s/it] 965it [2:15:38, 8.54s/it] 966it [2:15:46, 8.55s/it] 967it [2:15:55, 8.55s/it] 968it [2:16:03, 8.54s/it] 969it [2:16:12, 8.56s/it] 970it [2:16:21, 8.53s/it] 971it [2:16:29, 8.52s/it] 972it [2:16:38, 8.54s/it] 973it [2:16:46, 8.53s/it] 974it [2:16:55, 8.53s/it] 975it [2:17:03, 8.54s/it] 976it [2:17:12, 8.55s/it] 977it [2:17:20, 8.55s/it] 978it [2:17:29, 8.54s/it] 979it [2:17:37, 8.57s/it] 980it [2:17:46, 8.57s/it] 981it [2:17:55, 8.55s/it] 982it [2:18:03, 8.57s/it] 983it [2:18:12, 8.58s/it] 984it [2:18:20, 8.58s/it] 985it [2:18:29, 8.56s/it] 986it [2:18:37, 8.55s/it] 987it [2:18:46, 8.54s/it] 988it [2:18:54, 8.51s/it] 989it [2:19:03, 8.49s/it] 990it [2:19:11, 8.48s/it] 991it [2:19:20, 8.49s/it] 992it [2:19:28, 8.49s/it] 993it [2:19:37, 8.48s/it] 994it [2:19:45, 8.46s/it] 995it [2:19:53, 8.41s/it] 996it [2:20:02, 8.41s/it] 997it [2:20:10, 8.42s/it] 998it [2:20:19, 8.41s/it] 999it [2:20:27, 8.42s/it] 1000it [2:20:36, 8.42s/it] 1000it [2:20:36, 8.44s/it] Error counts: cysteine_to_N_cyclization: 0 ⏰ Completed process in 5:31:54.370687 0it [00:00, ?it/s] 1it [00:10, 10.83s/it] 2it [00:21, 10.76s/it] 3it [00:32, 10.69s/it] 4it [00:42, 10.68s/it] 5it [00:53, 10.67s/it] 6it [01:04, 10.67s/it] 7it [01:14, 10.67s/it] 8it [01:25, 10.68s/it] 9it [01:36, 10.70s/it] 10it [01:46, 10.72s/it] 11it [01:57, 10.70s/it] 12it [02:08, 10.72s/it] 13it [02:19, 10.71s/it] 14it [02:29, 10.68s/it] 15it [02:40, 10.66s/it] 16it [02:51, 10.67s/it] 17it [03:01, 10.67s/it] 18it [03:12, 10.67s/it] 19it [03:23, 10.68s/it] 20it [03:33, 10.68s/it] 21it [03:44, 10.71s/it] 22it [03:55, 10.73s/it] 23it [04:05, 10.70s/it] 24it [04:16, 10.73s/it] 25it [04:27, 10.74s/it] 26it [04:38, 10.72s/it] 27it [04:48, 10.71s/it] 28it [04:59, 10.70s/it] 29it [05:10, 10.73s/it] 30it [05:21, 10.73s/it] 31it [05:31, 10.72s/it] 32it [05:42, 10.68s/it] 33it [05:53, 10.68s/it] 34it [06:03, 10.70s/it] 35it [06:14, 10.69s/it] 36it [06:25, 10.70s/it] 37it [06:35, 10.71s/it] 38it [06:46, 10.71s/it] 39it [06:57, 10.72s/it] 40it [07:08, 10.74s/it] 41it [07:18, 10.76s/it] 42it [07:29, 10.79s/it] 43it [07:40, 10.79s/it] 44it [07:51, 10.79s/it] 45it [08:02, 10.80s/it] 46it [08:12, 10.76s/it] 47it [08:23, 10.77s/it] 48it [08:34, 10.81s/it] 49it [08:45, 10.81s/it] 50it [08:56, 10.82s/it] 51it [09:06, 10.80s/it] 52it [09:17, 10.79s/it] 53it [09:28, 10.80s/it] 54it [09:39, 10.81s/it] 55it [09:50, 10.81s/it] 56it [10:01, 10.83s/it] 57it [10:11, 10.82s/it] 58it [10:22, 10.82s/it] 59it [10:33, 10.83s/it] 60it [10:44, 10.81s/it] 61it [10:55, 10.79s/it] 62it [11:05, 10.77s/it] 63it [11:16, 10.76s/it] 64it [11:27, 10.75s/it] 65it [11:38, 10.76s/it] 66it [11:48, 10.81s/it] 67it [11:59, 10.82s/it] 68it [12:10, 10.81s/it] 69it [12:21, 10.84s/it] 70it [12:32, 10.85s/it] 71it [12:43, 10.83s/it] 72it [12:53, 10.82s/it] 73it [13:04, 10.80s/it] 74it [13:15, 10.81s/it] 75it [13:26, 10.79s/it] 76it [13:37, 10.79s/it] 77it [13:47, 10.79s/it] 78it [13:58, 10.80s/it] 79it [14:09, 10.80s/it] 80it [14:20, 10.79s/it] 81it [14:31, 10.79s/it] 82it [14:41, 10.77s/it] 83it [14:52, 10.79s/it] 84it [15:03, 10.81s/it] 85it [15:14, 10.80s/it] 86it [15:25, 10.81s/it] 87it [15:35, 10.80s/it] 88it [15:46, 10.79s/it] 89it [15:57, 10.79s/it] 90it [16:08, 10.76s/it] 91it [16:18, 10.75s/it] 92it [16:29, 10.74s/it] 93it [16:40, 10.74s/it] 94it [16:51, 10.74s/it] 95it [17:01, 10.73s/it] 96it [17:12, 10.71s/it] 97it [17:23, 10.73s/it] 98it [17:33, 10.70s/it] 99it [17:44, 10.72s/it] 100it [17:55, 10.74s/it] 101it [18:06, 10.74s/it] 102it [18:16, 10.71s/it] 103it [18:27, 10.70s/it] 104it [18:37, 10.67s/it] 105it [18:48, 10.69s/it] 106it [18:59, 10.70s/it] 107it [19:10, 10.69s/it] 108it [19:20, 10.69s/it] 109it [19:31, 10.69s/it] 110it [19:42, 10.68s/it] 111it [19:52, 10.70s/it] 112it [20:03, 10.66s/it] 113it [20:14, 10.70s/it] 114it [20:25, 10.72s/it] 115it [20:35, 10.69s/it] 116it [20:46, 10.71s/it] 117it [20:57, 10.74s/it] 118it [21:07, 10.72s/it] 119it [21:18, 10.71s/it] 120it [21:29, 10.72s/it] 121it [21:40, 10.73s/it] 122it [21:50, 10.74s/it] 123it [22:01, 10.75s/it] 124it [22:12, 10.76s/it] 125it [22:23, 10.80s/it] 126it [22:34, 10.82s/it] 127it [22:44, 10.82s/it] 128it [22:55, 10.83s/it] 129it [23:06, 10.83s/it] 130it [23:17, 10.84s/it] 131it [23:28, 10.84s/it] 132it [23:39, 10.88s/it] 133it [23:50, 10.88s/it] 134it [24:01, 10.88s/it] 135it [24:11, 10.87s/it] 136it [24:22, 10.85s/it] 137it [24:33, 10.82s/it] 138it [24:44, 10.82s/it] 139it [24:55, 10.81s/it] 140it [25:05, 10.82s/it] 141it [25:16, 10.83s/it] 142it [25:27, 10.79s/it] 143it [25:38, 10.80s/it] 144it [25:49, 10.82s/it] 145it [26:00, 10.83s/it] 146it [26:10, 10.83s/it] 147it [26:21, 10.82s/it] 148it [26:32, 10.82s/it] 149it [26:43, 10.84s/it] 150it [26:54, 10.85s/it] 151it [27:05, 10.85s/it] 152it [27:15, 10.84s/it] 153it [27:26, 10.85s/it] 154it [27:37, 10.82s/it] 155it [27:48, 10.82s/it] 156it [27:59, 10.82s/it] 157it [28:10, 10.83s/it] 158it [28:20, 10.82s/it] 159it [28:31, 10.80s/it] 160it [28:42, 10.82s/it] 161it [28:53, 10.85s/it] 162it [29:04, 10.85s/it] 163it [29:14, 10.83s/it] 164it [29:25, 10.84s/it] 165it [29:36, 10.82s/it] 166it [29:47, 10.84s/it] 167it [29:58, 10.87s/it] 168it [30:09, 10.89s/it] 169it [30:20, 10.91s/it] 170it [30:31, 10.94s/it] 171it [30:42, 10.93s/it] 172it [30:53, 10.96s/it] 173it [31:04, 10.96s/it] 174it [31:15, 10.96s/it] 175it [31:26, 10.97s/it] 176it [31:37, 10.97s/it] 177it [31:48, 10.98s/it] 178it [31:59, 10.96s/it] 179it [32:10, 10.96s/it] 180it [32:21, 10.96s/it] 181it [32:32, 10.97s/it] 182it [32:43, 10.98s/it] 183it [32:53, 10.97s/it] 184it [33:04, 10.96s/it] 185it [33:15, 10.97s/it] 186it [33:26, 10.98s/it] 187it [33:37, 11.01s/it] 188it [33:49, 11.03s/it] 189it [34:00, 11.01s/it] 190it [34:10, 10.98s/it] 191it [34:21, 10.94s/it] 192it [34:32, 10.91s/it] 193it [34:43, 10.91s/it] 194it [34:54, 10.92s/it] 195it [35:05, 10.90s/it] 196it [35:16, 10.88s/it] 197it [35:27, 10.88s/it] 198it [35:37, 10.88s/it] 199it [35:48, 10.88s/it] 200it [35:59, 10.85s/it] 201it [36:10, 10.84s/it] 202it [36:21, 10.84s/it] 203it [36:32, 10.85s/it] 204it [36:42, 10.86s/it] 205it [36:53, 10.89s/it] 206it [37:04, 10.90s/it] 207it [37:15, 10.89s/it] 208it [37:26, 10.88s/it] 209it [37:37, 10.90s/it] 210it [37:48, 10.89s/it] 211it [37:59, 10.90s/it] 212it [38:10, 10.91s/it] 213it [38:21, 10.89s/it] 214it [38:32, 10.91s/it] 215it [38:43, 10.91s/it] 216it [38:53, 10.91s/it] 217it [39:04, 10.91s/it] 218it [39:15, 10.89s/it] 219it [39:26, 10.90s/it] 220it [39:37, 10.90s/it] 221it [39:48, 10.92s/it] 222it [39:59, 10.92s/it] 223it [40:10, 10.92s/it] 224it [40:21, 10.91s/it] 225it [40:32, 10.89s/it] 226it [40:42, 10.91s/it] 227it [40:53, 10.92s/it] 228it [41:04, 10.90s/it] 229it [41:15, 10.90s/it] 230it [41:26, 10.85s/it] 231it [41:37, 10.84s/it] 232it [41:47, 10.82s/it] 233it [41:58, 10.79s/it] 234it [42:09, 10.79s/it] 235it [42:20, 10.80s/it] 236it [42:31, 10.83s/it] 237it [42:42, 10.86s/it] 238it [42:53, 10.91s/it] 239it [43:04, 10.91s/it] 240it [43:14, 10.90s/it] 241it [43:25, 10.93s/it] 242it [43:36, 10.94s/it] 243it [43:47, 10.94s/it] 244it [43:58, 10.94s/it] 245it [44:09, 10.90s/it] 246it [44:20, 10.87s/it] 247it [44:31, 10.89s/it] 248it [44:42, 10.95s/it] 249it [44:53, 10.98s/it] 250it [45:04, 10.98s/it] 251it [45:15, 11.00s/it] 252it [45:26, 11.00s/it] 253it [45:37, 10.99s/it] 254it [45:48, 11.03s/it] 255it [45:59, 10.99s/it] 256it [46:10, 10.96s/it] 257it [46:21, 10.92s/it] 258it [46:32, 10.89s/it] 259it [46:42, 10.90s/it] 260it [46:53, 10.90s/it] 261it [47:04, 10.87s/it] 262it [47:15, 10.84s/it] 263it [47:26, 10.82s/it] 264it [47:37, 10.81s/it] 265it [47:47, 10.80s/it] 266it [47:58, 10.77s/it] 267it [48:09, 10.75s/it] 268it [48:19, 10.76s/it] 269it [48:30, 10.76s/it] 270it [48:41, 10.76s/it] 271it [48:52, 10.79s/it] 272it [49:03, 10.77s/it] 273it [49:13, 10.75s/it] 274it [49:24, 10.74s/it] 275it [49:35, 10.76s/it] 276it [49:46, 10.76s/it] 277it [49:56, 10.80s/it] 278it [50:07, 10.78s/it] 279it [50:18, 10.78s/it] 280it [50:29, 10.77s/it] 281it [50:40, 10.77s/it] 282it [50:50, 10.77s/it] 283it [51:01, 10.77s/it] 284it [51:12, 10.79s/it] 285it [51:23, 10.79s/it] 286it [51:34, 10.80s/it] 287it [51:44, 10.78s/it] 288it [51:55, 10.79s/it] 289it [52:06, 10.76s/it] 290it [52:16, 10.71s/it] 291it [52:27, 10.70s/it] 292it [52:38, 10.71s/it] 293it [52:48, 10.69s/it] 294it [52:59, 10.71s/it] 295it [53:10, 10.70s/it] 296it [53:21, 10.70s/it] 297it [53:31, 10.71s/it] 298it [53:42, 10.71s/it] 299it [53:53, 10.72s/it] 300it [54:03, 10.74s/it] 301it [54:14, 10.76s/it] 302it [54:25, 10.74s/it] 303it [54:36, 10.77s/it] 304it [54:47, 10.74s/it] 305it [54:57, 10.75s/it] 306it [55:08, 10.79s/it] 307it [55:19, 10.77s/it] 308it [55:30, 10.78s/it] 309it [55:40, 10.76s/it] 310it [55:51, 10.77s/it] 311it [56:02, 10.78s/it] 312it [56:13, 10.79s/it] 313it [56:24, 10.78s/it] 314it [56:34, 10.78s/it] 315it [56:45, 10.76s/it] 316it [56:56, 10.74s/it] 317it [57:07, 10.76s/it] 318it [57:17, 10.75s/it] 319it [57:28, 10.77s/it] 320it [57:39, 10.76s/it] 321it [57:50, 10.76s/it] 322it [58:00, 10.76s/it] 323it [58:11, 10.78s/it] 324it [58:22, 10.76s/it] 325it [58:33, 10.75s/it] 326it [58:43, 10.76s/it] 327it [58:54, 10.73s/it] 328it [59:05, 10.70s/it] 329it [59:15, 10.71s/it] 330it [59:26, 10.70s/it] 331it [59:37, 10.71s/it] 332it [59:48, 10.70s/it] 333it [59:58, 10.70s/it] 334it [1:00:09, 10.74s/it] 335it [1:00:20, 10.73s/it] 336it [1:00:30, 10.72s/it] 337it [1:00:41, 10.72s/it] 338it [1:00:52, 10.75s/it] 339it [1:01:03, 10.74s/it] 340it [1:01:13, 10.72s/it] 341it [1:01:24, 10.73s/it] 342it [1:01:35, 10.74s/it] 343it [1:01:46, 10.72s/it] 344it [1:01:56, 10.74s/it] 345it [1:02:07, 10.73s/it] 346it [1:02:18, 10.77s/it] 347it [1:02:29, 10.78s/it] 348it [1:02:39, 10.76s/it] 349it [1:02:50, 10.77s/it] 350it [1:03:01, 10.77s/it] 351it [1:03:12, 10.77s/it] 352it [1:03:23, 10.79s/it] 353it [1:03:33, 10.76s/it] 354it [1:03:44, 10.75s/it] 355it [1:03:55, 10.75s/it] 356it [1:04:06, 10.73s/it] 357it [1:04:16, 10.72s/it] 358it [1:04:27, 10.72s/it] 359it [1:04:38, 10.71s/it] 360it [1:04:48, 10.71s/it] 361it [1:04:59, 10.70s/it] 362it [1:05:10, 10.71s/it] 363it [1:05:20, 10.70s/it] 364it [1:05:31, 10.70s/it] 365it [1:05:42, 10.72s/it] 366it [1:05:53, 10.76s/it] 367it [1:06:03, 10.74s/it] 368it [1:06:14, 10.73s/it] 369it [1:06:25, 10.71s/it] 370it [1:06:36, 10.72s/it] 371it [1:06:46, 10.71s/it] 372it [1:06:57, 10.70s/it] 373it [1:07:08, 10.73s/it] 374it [1:07:18, 10.72s/it] 375it [1:07:29, 10.74s/it] 376it [1:07:40, 10.75s/it] 377it [1:07:51, 10.73s/it] 378it [1:08:01, 10.71s/it] 379it [1:08:12, 10.70s/it] 380it [1:08:23, 10.68s/it] 381it [1:08:33, 10.69s/it] 382it [1:08:44, 10.69s/it] 383it [1:08:55, 10.71s/it] 384it [1:09:05, 10.69s/it] 385it [1:09:16, 10.69s/it] 386it [1:09:27, 10.69s/it] 387it [1:09:37, 10.67s/it] 388it [1:09:48, 10.67s/it] 389it [1:09:59, 10.66s/it] 390it [1:10:09, 10.66s/it] 391it [1:10:20, 10.63s/it] 392it [1:10:31, 10.63s/it] 393it [1:10:41, 10.62s/it] 394it [1:10:52, 10.61s/it] 395it [1:11:02, 10.62s/it] 396it [1:11:13, 10.61s/it] 397it [1:11:24, 10.62s/it] 398it [1:11:34, 10.61s/it] 399it [1:11:45, 10.61s/it] 400it [1:11:55, 10.62s/it] 401it [1:12:06, 10.63s/it] 402it [1:12:17, 10.64s/it] 403it [1:12:27, 10.62s/it] 404it [1:12:38, 10.63s/it] 405it [1:12:49, 10.65s/it] 406it [1:12:59, 10.65s/it] 407it [1:13:10, 10.64s/it] 408it [1:13:20, 10.59s/it] 409it [1:13:31, 10.59s/it] 410it [1:13:42, 10.58s/it] 411it [1:13:52, 10.58s/it] 412it [1:14:03, 10.56s/it] 413it [1:14:13, 10.57s/it] 414it [1:14:24, 10.58s/it] 415it [1:14:34, 10.57s/it] 416it [1:14:45, 10.58s/it] 417it [1:14:56, 10.58s/it] 418it [1:15:06, 10.59s/it] 419it [1:15:17, 10.61s/it] 420it [1:15:27, 10.60s/it] 421it [1:15:38, 10.62s/it] 422it [1:15:49, 10.60s/it] 423it [1:15:59, 10.59s/it] 424it [1:16:10, 10.58s/it] 425it [1:16:20, 10.60s/it] 426it [1:16:31, 10.59s/it] 427it [1:16:42, 10.59s/it] 428it [1:16:52, 10.60s/it] 429it [1:17:03, 10.62s/it] 430it [1:17:13, 10.59s/it] 431it [1:17:24, 10.60s/it] 432it [1:17:35, 10.60s/it] 433it [1:17:45, 10.60s/it] 434it [1:17:56, 10.60s/it] 435it [1:18:06, 10.57s/it] 436it [1:18:17, 10.57s/it] 437it [1:18:27, 10.55s/it] 438it [1:18:38, 10.55s/it] 439it [1:18:49, 10.56s/it] 440it [1:18:59, 10.55s/it] 441it [1:19:10, 10.55s/it] 442it [1:19:20, 10.54s/it] 443it [1:19:31, 10.57s/it] 444it [1:19:41, 10.58s/it] 445it [1:19:52, 10.60s/it] 446it [1:20:03, 10.64s/it] 447it [1:20:13, 10.68s/it] 448it [1:20:24, 10.69s/it] 449it [1:20:35, 10.68s/it] 450it [1:20:46, 10.68s/it] 451it [1:20:56, 10.69s/it] 452it [1:21:07, 10.67s/it] 453it [1:21:18, 10.66s/it] 454it [1:21:28, 10.67s/it] 455it [1:21:39, 10.65s/it] 456it [1:21:50, 10.66s/it] 457it [1:22:00, 10.69s/it] 458it [1:22:11, 10.72s/it] 459it [1:22:22, 10.72s/it] 460it [1:22:33, 10.72s/it] 461it [1:22:43, 10.69s/it] 462it [1:22:54, 10.69s/it] 463it [1:23:05, 10.71s/it] 464it [1:23:15, 10.68s/it] 465it [1:23:26, 10.69s/it] 466it [1:23:37, 10.71s/it] 467it [1:23:47, 10.68s/it] 468it [1:23:58, 10.69s/it] 469it [1:24:09, 10.70s/it] 470it 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[2:41:33, 10.15s/it] 915it [2:41:43, 10.17s/it] 916it [2:41:54, 10.19s/it] 917it [2:42:04, 10.18s/it] 918it [2:42:14, 10.20s/it] 919it [2:42:24, 10.21s/it] 920it [2:42:35, 10.20s/it] 921it [2:42:45, 10.21s/it] 922it [2:42:55, 10.20s/it] 923it [2:43:05, 10.20s/it] 924it [2:43:15, 10.16s/it] 925it [2:43:25, 10.16s/it] 926it [2:43:35, 10.14s/it] 927it [2:43:46, 10.13s/it] 928it [2:43:56, 10.14s/it] 929it [2:44:06, 10.17s/it] 930it [2:44:16, 10.17s/it] 931it [2:44:26, 10.19s/it] 932it [2:44:37, 10.18s/it] 933it [2:44:47, 10.19s/it] 934it [2:44:57, 10.19s/it] 935it [2:45:07, 10.21s/it] 936it [2:45:17, 10.20s/it] 937it [2:45:28, 10.21s/it] 938it [2:45:38, 10.21s/it] 939it [2:45:48, 10.21s/it] 940it [2:45:58, 10.22s/it] 941it [2:46:08, 10.22s/it] 942it [2:46:19, 10.20s/it] 943it [2:46:29, 10.19s/it] 944it [2:46:39, 10.21s/it] 945it [2:46:49, 10.20s/it] 946it [2:46:59, 10.21s/it] 947it [2:47:10, 10.20s/it] 948it [2:47:20, 10.20s/it] 949it [2:47:30, 10.21s/it] 950it [2:47:40, 10.21s/it] 951it [2:47:50, 10.20s/it] 952it [2:48:01, 10.20s/it] 953it [2:48:11, 10.21s/it] 954it [2:48:21, 10.22s/it] 955it [2:48:31, 10.22s/it] 956it [2:48:42, 10.23s/it] 957it [2:48:52, 10.22s/it] 958it [2:49:02, 10.24s/it] 959it [2:49:12, 10.22s/it] 960it [2:49:22, 10.21s/it] 961it [2:49:33, 10.20s/it] 962it [2:49:43, 10.20s/it] 963it [2:49:53, 10.22s/it] 964it [2:50:03, 10.22s/it] 965it [2:50:14, 10.21s/it] 966it [2:50:24, 10.22s/it] 967it [2:50:34, 10.21s/it] 968it [2:50:44, 10.22s/it] 969it [2:50:54, 10.20s/it] 970it [2:51:05, 10.19s/it] 971it [2:51:15, 10.17s/it] 972it [2:51:25, 10.17s/it] 973it [2:51:35, 10.17s/it] 974it [2:51:45, 10.18s/it] 975it [2:51:55, 10.20s/it] 976it [2:52:06, 10.20s/it] 977it [2:52:16, 10.20s/it] 978it [2:52:26, 10.21s/it] 979it [2:52:36, 10.21s/it] 980it [2:52:46, 10.20s/it] 981it [2:52:57, 10.20s/it] 982it [2:53:07, 10.19s/it] 983it [2:53:17, 10.20s/it] 984it [2:53:27, 10.20s/it] 985it [2:53:37, 10.19s/it] 986it [2:53:48, 10.20s/it] 987it [2:53:58, 10.22s/it] 988it [2:54:08, 10.21s/it] 989it [2:54:18, 10.20s/it] 990it [2:54:28, 10.18s/it] 991it [2:54:39, 10.19s/it] 992it [2:54:49, 10.20s/it] 993it [2:54:59, 10.19s/it] 994it [2:55:09, 10.19s/it] 995it [2:55:19, 10.20s/it] 996it [2:55:30, 10.19s/it] 997it [2:55:40, 10.19s/it] 998it [2:55:50, 10.19s/it] 999it [2:56:00, 10.19s/it] 1000it [2:56:10, 10.23s/it] 1000it [2:56:10, 10.57s/it] Error counts: cyclic_id: 0 cyclic_inchikey: 0 cyclic_scaffold: 0 cyclic_mwt: 0 cyclic_clogp: 0 cyclic_tpsa: 0 ⏰ Completed process in 8:28:07.230572 0it [00:00, ?it/s] 1it [00:00, 8.08it/s] 2it [00:00, 8.80it/s] 3it [00:00, 9.14it/s] 4it [00:00, 9.36it/s] 5it [00:00, 9.43it/s] 6it [00:00, 9.45it/s] 7it [00:00, 9.45it/s] 8it [00:00, 9.47it/s] 9it [00:00, 9.49it/s] 10it [00:01, 9.50it/s] 11it [00:01, 9.49it/s] 12it [00:01, 9.48it/s] 13it [00:01, 9.44it/s] 14it [00:01, 9.42it/s] 15it [00:01, 9.42it/s] 16it [00:01, 9.41it/s] 17it [00:01, 9.47it/s] 18it [00:01, 9.47it/s] 19it [00:02, 9.49it/s] 20it [00:02, 9.52it/s] 21it [00:02, 9.53it/s] 22it [00:02, 9.48it/s] 23it [00:02, 9.42it/s] 24it [00:02, 9.40it/s] 25it [00:02, 9.42it/s] 26it [00:02, 9.37it/s] 27it [00:02, 9.41it/s] 28it [00:02, 9.46it/s] 29it [00:03, 9.50it/s] 30it [00:03, 9.45it/s] 31it [00:03, 9.47it/s] 32it [00:03, 9.50it/s] 33it [00:03, 9.50it/s] 34it [00:03, 9.49it/s] 35it [00:03, 9.51it/s] 36it [00:03, 9.52it/s] 37it [00:03, 9.54it/s] 38it [00:04, 9.54it/s] 39it [00:04, 9.45it/s] 40it [00:04, 9.45it/s] 41it [00:04, 9.49it/s] 42it [00:04, 9.48it/s] 43it [00:04, 9.52it/s] 44it [00:04, 9.54it/s] 45it [00:04, 9.49it/s] 46it [00:04, 9.40it/s] 47it [00:04, 9.45it/s] 48it [00:05, 9.49it/s] 49it [00:05, 9.49it/s] 50it [00:05, 9.49it/s] 51it [00:05, 9.51it/s] 52it [00:05, 9.42it/s] 53it [00:05, 9.47it/s] 54it [00:05, 9.47it/s] 55it [00:05, 9.54it/s] 56it [00:05, 9.52it/s] 57it [00:06, 9.54it/s] 58it [00:06, 9.54it/s] 59it [00:06, 9.51it/s] 60it [00:06, 9.54it/s] 61it [00:06, 9.55it/s] 62it [00:06, 9.53it/s] 63it [00:06, 9.49it/s] 64it [00:06, 9.55it/s] 65it [00:06, 9.53it/s] 66it [00:06, 9.53it/s] 67it [00:07, 9.57it/s] 68it [00:07, 9.57it/s] 69it [00:07, 9.46it/s] 70it [00:07, 9.51it/s] 71it [00:07, 9.53it/s] 72it [00:07, 9.51it/s] 73it [00:07, 9.53it/s] 74it [00:07, 9.54it/s] 75it [00:07, 9.46it/s] 76it [00:08, 9.45it/s] 77it [00:08, 9.47it/s] 78it [00:08, 9.44it/s] 79it [00:08, 9.49it/s] 80it [00:08, 9.49it/s] 81it [00:08, 9.52it/s] 82it [00:08, 9.53it/s] 83it [00:08, 9.56it/s] 84it [00:08, 9.52it/s] 85it [00:08, 9.55it/s] 86it [00:09, 9.56it/s] 87it [00:09, 9.45it/s] 88it [00:09, 9.44it/s] 89it [00:09, 9.49it/s] 90it [00:09, 9.53it/s] 91it [00:09, 9.51it/s] 92it [00:09, 9.51it/s] 93it [00:09, 9.44it/s] 94it [00:09, 9.44it/s] 95it [00:10, 9.44it/s] 96it [00:10, 9.47it/s] 97it [00:10, 9.50it/s] 98it [00:10, 9.56it/s] 99it [00:10, 9.54it/s] 100it [00:10, 9.48it/s] 101it [00:10, 9.50it/s] 102it [00:10, 9.52it/s] 103it [00:10, 9.58it/s] 104it [00:10, 9.55it/s] 105it [00:11, 9.54it/s] 106it [00:11, 9.49it/s] 107it [00:11, 9.49it/s] 108it [00:11, 9.47it/s] 109it [00:11, 9.49it/s] 110it [00:11, 9.50it/s] 111it [00:11, 9.41it/s] 112it [00:11, 9.44it/s] 113it [00:11, 9.48it/s] 114it [00:12, 9.45it/s] 115it [00:12, 9.46it/s] 116it [00:12, 9.41it/s] 117it [00:12, 9.45it/s] 118it [00:12, 9.52it/s] 119it [00:12, 9.50it/s] 120it [00:12, 9.51it/s] 121it [00:12, 9.42it/s] 122it [00:12, 9.39it/s] 123it [00:12, 9.41it/s] 124it [00:13, 9.40it/s] 125it [00:13, 9.48it/s] 126it [00:13, 9.51it/s] 127it [00:13, 9.49it/s] 128it [00:13, 9.51it/s] 129it [00:13, 9.51it/s] 130it [00:13, 9.49it/s] 131it [00:13, 9.46it/s] 132it [00:13, 9.48it/s] 133it [00:14, 9.45it/s] 134it [00:14, 9.45it/s] 135it [00:14, 9.50it/s] 136it [00:14, 9.50it/s] 137it [00:14, 9.45it/s] 138it [00:14, 9.47it/s] 139it [00:14, 9.48it/s] 140it [00:14, 9.42it/s] 141it [00:14, 9.44it/s] 142it [00:14, 9.44it/s] 143it [00:15, 9.43it/s] 144it [00:15, 9.42it/s] 145it [00:15, 9.45it/s] 146it [00:15, 9.45it/s] 147it [00:15, 9.47it/s] 148it [00:15, 9.49it/s] 149it [00:15, 9.48it/s] 150it [00:15, 9.49it/s] 151it [00:15, 9.52it/s] 152it [00:16, 9.51it/s] 153it [00:16, 9.51it/s] 154it [00:16, 9.54it/s] 155it [00:16, 9.56it/s] 156it [00:16, 9.57it/s] 157it [00:16, 9.53it/s] 158it [00:16, 9.48it/s] 159it [00:16, 9.50it/s] 160it [00:16, 9.51it/s] 161it [00:16, 9.44it/s] 162it [00:17, 9.47it/s] 163it [00:17, 9.50it/s] 164it [00:17, 9.46it/s] 165it [00:17, 9.46it/s] 166it [00:17, 9.45it/s] 167it [00:17, 9.48it/s] 168it [00:17, 9.49it/s] 169it [00:17, 9.45it/s] 170it [00:17, 9.45it/s] 171it [00:18, 9.46it/s] 172it [00:18, 9.48it/s] 173it [00:18, 9.51it/s] 174it [00:18, 9.48it/s] 175it [00:18, 9.49it/s] 176it [00:18, 9.49it/s] 177it [00:18, 9.53it/s] 178it [00:18, 9.51it/s] 179it [00:18, 9.50it/s] 180it [00:18, 9.53it/s] 181it [00:19, 9.55it/s] 182it [00:19, 9.49it/s] 183it [00:19, 9.49it/s] 184it [00:19, 9.53it/s] 185it [00:19, 9.57it/s] 186it [00:19, 9.54it/s] 187it [00:19, 9.50it/s] 188it [00:19, 9.51it/s] 189it [00:19, 9.44it/s] 190it [00:20, 9.44it/s] 191it [00:20, 9.44it/s] 192it [00:20, 9.49it/s] 193it [00:20, 9.47it/s] 194it [00:20, 9.50it/s] 195it [00:20, 9.52it/s] 196it [00:20, 9.54it/s] 197it [00:20, 9.49it/s] 198it [00:20, 9.49it/s] 199it [00:20, 9.54it/s] 200it [00:21, 9.47it/s] 201it [00:21, 9.44it/s] 202it [00:21, 9.46it/s] 203it [00:21, 9.53it/s] 204it [00:21, 9.58it/s] 205it [00:21, 9.50it/s] 206it [00:21, 9.52it/s] 207it [00:21, 9.52it/s] 208it [00:21, 9.51it/s] 209it [00:22, 9.53it/s] 210it [00:22, 9.56it/s] 211it [00:22, 9.55it/s] 212it [00:22, 9.54it/s] 213it [00:22, 9.55it/s] 214it [00:22, 9.56it/s] 215it [00:22, 9.57it/s] 216it [00:22, 9.52it/s] 217it [00:22, 9.50it/s] 218it [00:22, 9.51it/s] 219it [00:23, 9.55it/s] 220it [00:23, 9.52it/s] 221it [00:23, 9.53it/s] 222it [00:23, 9.51it/s] 223it [00:23, 9.50it/s] 224it [00:23, 9.50it/s] 225it [00:23, 9.51it/s] 226it [00:23, 9.51it/s] 227it [00:23, 9.44it/s] 228it [00:24, 9.45it/s] 229it [00:24, 9.48it/s] 230it [00:24, 9.52it/s] 231it [00:24, 9.50it/s] 232it [00:24, 9.52it/s] 233it [00:24, 9.54it/s] 234it [00:24, 9.49it/s] 235it [00:24, 9.56it/s] 236it [00:24, 9.54it/s] 237it [00:24, 9.52it/s] 238it [00:25, 9.51it/s] 239it [00:25, 9.52it/s] 240it [00:25, 9.54it/s] 241it [00:25, 9.58it/s] 242it [00:25, 9.54it/s] 243it [00:25, 9.53it/s] 244it [00:25, 9.56it/s] 245it [00:25, 9.58it/s] 246it [00:25, 9.57it/s] 247it [00:26, 9.52it/s] 248it [00:26, 9.50it/s] 249it [00:26, 9.51it/s] 250it [00:26, 9.55it/s] 251it [00:26, 9.52it/s] 252it [00:26, 9.50it/s] 253it [00:26, 9.48it/s] 254it [00:26, 9.39it/s] 255it [00:26, 9.37it/s] 256it [00:26, 9.39it/s] 257it [00:27, 9.46it/s] 258it [00:27, 9.52it/s] 259it [00:27, 9.51it/s] 260it [00:27, 9.44it/s] 261it [00:27, 9.39it/s] 262it [00:27, 9.44it/s] 263it [00:27, 9.49it/s] 264it [00:27, 9.48it/s] 265it [00:27, 9.51it/s] 266it [00:28, 9.48it/s] 267it [00:28, 9.38it/s] 268it [00:28, 9.40it/s] 269it [00:28, 9.43it/s] 270it [00:28, 9.44it/s] 271it [00:28, 9.46it/s] 272it [00:28, 9.51it/s] 273it [00:28, 9.46it/s] 274it [00:28, 9.43it/s] 275it [00:28, 9.42it/s] 276it [00:29, 9.45it/s] 277it [00:29, 9.45it/s] 278it [00:29, 9.50it/s] 279it [00:29, 9.47it/s] 280it [00:29, 9.39it/s] 281it [00:29, 9.39it/s] 282it [00:29, 9.43it/s] 283it [00:29, 9.47it/s] 284it [00:29, 9.48it/s] 285it [00:30, 9.53it/s] 286it [00:30, 9.41it/s] 287it [00:30, 9.42it/s] 288it [00:30, 9.46it/s] 289it [00:30, 9.47it/s] 290it [00:30, 9.55it/s] 291it [00:30, 9.53it/s] 292it [00:30, 9.55it/s] 293it [00:30, 9.54it/s] 294it [00:30, 9.46it/s] 295it [00:31, 9.46it/s] 296it [00:31, 9.48it/s] 297it [00:31, 9.50it/s] 298it [00:31, 9.54it/s] 299it [00:31, 9.52it/s] 300it [00:31, 9.42it/s] 301it [00:31, 9.38it/s] 302it [00:31, 9.41it/s] 303it [00:31, 9.47it/s] 304it [00:32, 9.50it/s] 305it [00:32, 9.52it/s] 306it [00:32, 9.41it/s] 307it [00:32, 9.40it/s] 308it [00:32, 9.45it/s] 309it [00:32, 9.45it/s] 310it [00:32, 9.46it/s] 311it [00:32, 9.51it/s] 312it [00:32, 9.41it/s] 313it [00:33, 9.41it/s] 314it [00:33, 9.38it/s] 315it 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[01:43, 9.46it/s] 980it [01:44, 9.51it/s] 981it [01:44, 9.52it/s] 982it [01:44, 9.44it/s] 983it [01:44, 9.37it/s] 984it [01:44, 9.37it/s] 985it [01:44, 9.41it/s] 986it [01:44, 9.46it/s] 987it [01:44, 9.45it/s] 988it [01:44, 9.40it/s] 989it [01:45, 9.33it/s] 990it [01:45, 9.36it/s] 991it [01:45, 9.41it/s] 992it [01:45, 9.43it/s] 993it [01:45, 9.46it/s] 994it [01:45, 9.42it/s] 995it [01:45, 9.34it/s] 996it [01:45, 9.39it/s] 997it [01:45, 9.38it/s] 998it [01:45, 9.39it/s] 999it [01:46, 9.44it/s] 1000it [01:46, 9.46it/s] 1000it [01:46, 9.42it/s] Split counts: train: 674000 test: 164000 validation: 162000 ⏰ Completed process in 8:29:54.648234 ++ date + echo 'Sat 2 Nov 00:26:36 GMT 2024 :: 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-17000000-18000000.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-17000000-18000000.csv.gz + split_dir=20241101_peptides_6-12x100M/train ++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-17000000-18000000.csv.gz .csv.gz + split_file=20241101_peptides_6-12x100M/train/peptides_length-10_n-100000000_slice-17000000-18000000.csv.gz + mkdir -p 20241101_peptides_6-12x100M/train ++ date + echo 'Sat 2 Nov 00:26:36 GMT 2024 :: Saving train...' Sat 2 Nov 00:26:36 GMT 2024 :: Saving train... + zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-17000000-18000000.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 00:27:33 GMT 2024 :: 20241101_peptides_6-12x100M/train/peptides_length-10_n-100000000_slice-17000000-18000000.csv.gz' + for split in train test validation ++ dirname 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-17000000-18000000.csv.gz + split_dir=20241101_peptides_6-12x100M/test ++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-17000000-18000000.csv.gz .csv.gz + split_file=20241101_peptides_6-12x100M/test/peptides_length-10_n-100000000_slice-17000000-18000000.csv.gz + mkdir -p 20241101_peptides_6-12x100M/test ++ date + echo 'Sat 2 Nov 00:27:33 GMT 2024 :: Saving test...' Sat 2 Nov 00:27:33 GMT 2024 :: Saving test... + zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-17000000-18000000.csv.gz + gzip --best + awk -F, -v OFS=, -v c1=is_test 'NR == 1 { n=split($0,h); for(i=1;i<=n;i++) col[h[i]]=i; print $0 }; ( NR > 1 && $col[c1] == "True" ) { print $0 }' ++ date + echo 'Sat 2 Nov 00:27:58 GMT 2024 :: 20241101_peptides_6-12x100M/test/peptides_length-10_n-100000000_slice-17000000-18000000.csv.gz' + for split in train test validation ++ dirname 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-17000000-18000000.csv.gz + split_dir=20241101_peptides_6-12x100M/validation ++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-17000000-18000000.csv.gz .csv.gz + split_file=20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-17000000-18000000.csv.gz + mkdir -p 20241101_peptides_6-12x100M/validation ++ date + echo 'Sat 2 Nov 00:27:58 GMT 2024 :: Saving validation...' Sat 2 Nov 00:27:58 GMT 2024 :: Saving validation... + zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-17000000-18000000.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 00:28:24 GMT 2024 :: 20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-17000000-18000000.csv.gz' + '[' -e 20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-17000000-18000000.csv.gz.success ']' + rm 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-17000000-18000000.csv.gz 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-17000000-18000000.csv.gz.success + set +x Sat 2 Nov 00:28:24 GMT 2024 > Peptide generation complete