Fri 1 Nov 16:00:41 GMT 2024 > Generating peptides on cn004 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 16:00:41 GMT 2024 > Running /camp/apps/eb/software/Anaconda3/2023.03/bin/python : Python 3.10.10 Fri 1 Nov 16:00:41 GMT 2024 > Using Conda from . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Fri 1 Nov 16:00:41 GMT 2024 > Seed = 1; length = 10; max. number = 100000000; slice = 42000000 to 43000000; output dir. = 20241101_peptides_6-12x100M Fri 1 Nov 16:00:41 GMT 2024 > There are 10240000000000 peptides of length 10; generating 100000000 (0.000976563 %) Fri 1 Nov 16:00:41 GMT 2024 > Saving a slice to 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-42000000-43000000.csv.gz... + schemist enumerate --seed 1 --max-length 10 --prefix GY --suffix CGSGSGS --number 9.76563e-06 --slice 42000000 43000000 + schemist convert --column cysteine_to_N_cyclization --to id inchikey scaffold mwt clogp tpsa --prefix cyclic_ --options prefix=SCB- + schemist react --column SMILES --reaction cysteine_to_N_cyclization + schemist split --type random --train 0.7 --test 0.15 --column cysteine_to_N_cyclization --seed 1 + tr ' ' , + gzip --best + schemist convert --column SMILES --to id inchikey scaffold mwt clogp tpsa --prefix linear_ --options prefix=SCB- 🚀 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: 🚀 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: 🚀 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: ['42000000', '43000000'] 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. 🚀 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: 🚀 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: 0it [00:00, ?it/s] 1it [01:13, 73.94s/it] 2it [01:14, 30.98s/it] 3it [01:15, 17.25s/it] 4it [01:16, 10.80s/it] 5it [01:17, 7.24s/it] 6it [01:18, 5.09s/it] 7it [01:19, 3.73s/it] 8it [01:20, 2.84s/it] 9it [01:21, 2.25s/it] 10it 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[14:32, 1.10it/s] 845it [14:33, 1.10it/s] 846it [14:34, 1.10it/s] 847it [14:35, 1.10it/s] 848it [14:36, 1.10it/s] 849it [14:37, 1.10it/s] 850it [14:38, 1.10it/s] 851it [14:39, 1.10it/s] 852it [14:40, 1.10it/s] 853it [14:41, 1.10it/s] 854it [14:41, 1.10it/s] 855it [14:42, 1.09it/s] 856it [14:43, 1.10it/s] 857it [14:44, 1.10it/s] 858it [14:45, 1.10it/s] 859it [14:46, 1.10it/s] 860it [14:47, 1.11it/s] 861it [14:48, 1.11it/s] 862it [14:49, 1.11it/s] 863it [14:50, 1.11it/s] 864it [14:50, 1.11it/s] 865it [14:51, 1.11it/s] 866it [14:52, 1.11it/s] 867it [14:53, 1.11it/s] 868it [14:54, 1.11it/s] 869it [14:55, 1.11it/s] 870it [14:56, 1.10it/s] 871it [14:57, 1.10it/s] 872it [14:58, 1.10it/s] 873it [14:59, 1.10it/s] 874it [15:00, 1.10it/s] 875it [15:00, 1.10it/s] 876it [15:01, 1.10it/s] 877it [15:02, 1.11it/s] 878it [15:03, 1.11it/s] 879it [15:04, 1.11it/s] 880it [15:05, 1.10it/s] 881it [15:06, 1.11it/s] 882it [15:07, 1.10it/s] 883it [15:08, 1.09it/s] 884it [15:09, 1.09it/s] 885it [15:10, 1.10it/s] 886it [15:10, 1.10it/s] 887it [15:11, 1.10it/s] 888it [15:12, 1.10it/s] 889it [15:13, 1.10it/s] 890it [15:14, 1.10it/s] 891it [15:15, 1.10it/s] 892it [15:16, 1.10it/s] 893it [15:17, 1.10it/s] 894it [15:18, 1.09it/s] 895it [15:19, 1.10it/s] 896it [15:20, 1.10it/s] 897it [15:20, 1.10it/s] 898it [15:21, 1.10it/s] 899it [15:22, 1.10it/s] 900it [15:23, 1.10it/s] 901it [15:24, 1.10it/s] 902it [15:25, 1.10it/s] 903it [15:26, 1.10it/s] 904it [15:27, 1.10it/s] 905it [15:28, 1.11it/s] 906it [15:29, 1.10it/s] 907it [15:30, 1.10it/s] 908it [15:30, 1.10it/s] 909it [15:31, 1.10it/s] 910it [15:32, 1.10it/s] 911it [15:33, 1.10it/s] 912it [15:34, 1.10it/s] 913it [15:35, 1.10it/s] 914it [15:36, 1.10it/s] 915it [15:37, 1.10it/s] 916it [15:38, 1.10it/s] 917it [15:39, 1.09it/s] 918it [15:40, 1.10it/s] 919it [15:40, 1.09it/s] 920it [15:41, 1.09it/s] 921it [15:42, 1.10it/s] 922it [15:43, 1.09it/s] 923it [15:44, 1.09it/s] 924it [15:45, 1.09it/s] 925it [15:46, 1.09it/s] 926it [15:47, 1.08it/s] 927it [15:48, 1.08it/s] 928it [15:49, 1.09it/s] 929it [15:50, 1.09it/s] 930it [15:51, 1.10it/s] 931it [15:51, 1.09it/s] 932it [15:52, 1.08it/s] 933it [15:53, 1.08it/s] 934it [15:54, 1.08it/s] 935it [15:55, 1.07it/s] 936it [15:56, 1.07it/s] 937it [15:57, 1.08it/s] 938it [15:58, 1.08it/s] 939it [15:59, 1.09it/s] 940it [16:00, 1.09it/s] 941it [16:01, 1.09it/s] 942it [16:02, 1.10it/s] 943it [16:03, 1.09it/s] 944it [16:04, 1.08it/s] 945it [16:04, 1.08it/s] 946it [16:05, 1.09it/s] 947it [16:06, 1.09it/s] 948it [16:07, 1.09it/s] 949it [16:08, 1.09it/s] 950it [16:09, 1.09it/s] 951it [16:10, 1.09it/s] 952it [16:11, 1.10it/s] 953it [16:12, 1.10it/s] 954it [16:13, 1.10it/s] 955it [16:14, 1.10it/s] 956it [16:14, 1.10it/s] 957it [16:15, 1.10it/s] 958it [16:16, 1.10it/s] 959it [16:17, 1.10it/s] 960it [16:18, 1.11it/s] 961it [16:19, 1.11it/s] 962it [16:20, 1.11it/s] 963it [16:21, 1.11it/s] 964it [16:22, 1.11it/s] 965it [16:23, 1.11it/s] 966it [16:23, 1.11it/s] 967it [16:24, 1.10it/s] 968it [16:25, 1.10it/s] 969it [16:26, 1.10it/s] 970it [16:27, 1.11it/s] 971it [16:28, 1.10it/s] 972it [16:29, 1.10it/s] 973it [16:30, 1.10it/s] 974it [16:31, 1.11it/s] 975it [16:32, 1.11it/s] 976it [16:33, 1.11it/s] 977it [16:33, 1.11it/s] 978it [16:34, 1.11it/s] 979it [16:35, 1.09it/s] 980it [16:36, 1.09it/s] 981it [16:37, 1.08it/s] 982it [16:38, 1.08it/s] 983it [16:39, 1.08it/s] 984it [16:40, 1.08it/s] 985it [16:41, 1.08it/s] 986it [16:42, 1.08it/s] 987it [16:43, 1.08it/s] 988it [16:44, 1.07it/s] 989it [16:45, 1.07it/s] 990it [16:46, 1.08it/s] 991it [16:46, 1.09it/s] 992it [16:47, 1.09it/s] 993it [16:48, 1.09it/s] 994it [16:49, 1.08it/s] 995it [16:50, 1.08it/s] 996it [16:51, 1.08it/s] 997it [16:52, 1.08it/s] 998it [16:53, 1.07it/s] 999it [16:54, 1.07it/s] 1000it [16:55, 1.07it/s] 1000it [16:55, 1.02s/it] Enumerated peptides: Number of peptides: 1000000 Conversion errors: SMILES: 0 ⏰ Completed process in 0:16:55.294950 0it [00:00, ?it/s] 1it [00:10, 10.75s/it] 2it [00:21, 10.58s/it] 3it [00:31, 10.41s/it] 4it [00:41, 10.45s/it] 5it [00:52, 10.43s/it] 6it [01:02, 10.45s/it] 7it [01:13, 10.45s/it] 8it [01:23, 10.40s/it] 9it [01:34, 10.45s/it] 10it [01:44, 10.42s/it] 11it [01:54, 10.38s/it] 12it [02:04, 10.33s/it] 13it [02:15, 10.28s/it] 14it [02:25, 10.22s/it] 15it [02:35, 10.20s/it] 16it [02:45, 10.19s/it] 17it [02:55, 10.21s/it] 18it [03:06, 10.25s/it] 19it [03:16, 10.25s/it] 20it [03:26, 10.24s/it] 21it [03:37, 10.30s/it] 22it [03:47, 10.32s/it] 23it [03:57, 10.29s/it] 24it [04:07, 10.26s/it] 25it [04:17, 10.23s/it] 26it [04:28, 10.24s/it] 27it [04:38, 10.32s/it] 28it [04:49, 10.40s/it] 29it [04:59, 10.44s/it] 30it [05:10, 10.42s/it] 31it [05:20, 10.38s/it] 32it [05:30, 10.36s/it] 33it [05:41, 10.37s/it] 34it [05:51, 10.32s/it] 35it [06:01, 10.29s/it] 36it [06:11, 10.28s/it] 37it [06:22, 10.29s/it] 38it [06:32, 10.29s/it] 39it [06:42, 10.30s/it] 40it [06:53, 10.27s/it] 41it [07:03, 10.27s/it] 42it [07:13, 10.31s/it] 43it [07:24, 10.38s/it] 44it [07:34, 10.42s/it] 45it [07:45, 10.46s/it] 46it [07:55, 10.40s/it] 47it [08:05, 10.34s/it] 48it [08:15, 10.30s/it] 49it [08:26, 10.28s/it] 50it [08:36, 10.26s/it] 51it [08:46, 10.26s/it] 52it [08:56, 10.24s/it] 53it [09:07, 10.22s/it] 54it [09:17, 10.22s/it] 55it [09:27, 10.22s/it] 56it [09:37, 10.25s/it] 57it [09:48, 10.23s/it] 58it [09:58, 10.21s/it] 59it [10:08, 10.21s/it] 60it [10:18, 10.31s/it] 61it [10:29, 10.37s/it] 62it [10:39, 10.39s/it] 63it [10:50, 10.43s/it] 64it [11:00, 10.42s/it] 65it [11:11, 10.42s/it] 66it [11:21, 10.43s/it] 67it [11:31, 10.35s/it] 68it [11:41, 10.29s/it] 69it [11:52, 10.28s/it] 70it [12:02, 10.27s/it] 71it [12:12, 10.26s/it] 72it [12:22, 10.24s/it] 73it [12:33, 10.23s/it] 74it [12:43, 10.23s/it] 75it [12:53, 10.24s/it] 76it [13:03, 10.22s/it] 77it [13:13, 10.19s/it] 78it [13:24, 10.17s/it] 79it [13:34, 10.18s/it] 80it [13:44, 10.18s/it] 81it [13:54, 10.18s/it] 82it [14:04, 10.21s/it] 83it [14:14, 10.18s/it] 84it [14:25, 10.18s/it] 85it [14:35, 10.17s/it] 86it [14:45, 10.19s/it] 87it [14:55, 10.17s/it] 88it [15:05, 10.19s/it] 89it [15:16, 10.19s/it] 90it [15:26, 10.18s/it] 91it [15:36, 10.15s/it] 92it [15:46, 10.17s/it] 93it [15:56, 10.17s/it] 94it [16:06, 10.15s/it] 95it [16:16, 10.16s/it] 96it [16:27, 10.16s/it] 97it [16:37, 10.15s/it] 98it [16:47, 10.13s/it] 99it [16:57, 10.16s/it] 100it [17:07, 10.16s/it] 101it [17:17, 10.17s/it] 102it [17:28, 10.17s/it] 103it [17:38, 10.18s/it] 104it [17:48, 10.17s/it] 105it [17:58, 10.19s/it] 106it [18:08, 10.20s/it] 107it [18:19, 10.21s/it] 108it [18:29, 10.20s/it] 109it [18:39, 10.18s/it] 110it [18:49, 10.19s/it] 111it [18:59, 10.17s/it] 112it [19:10, 10.18s/it] 113it [19:20, 10.16s/it] 114it [19:30, 10.16s/it] 115it [19:40, 10.17s/it] 116it [19:50, 10.16s/it] 117it [20:00, 10.17s/it] 118it [20:11, 10.24s/it] 119it [20:21, 10.33s/it] 120it [20:32, 10.39s/it] 121it [20:42, 10.42s/it] 122it [20:53, 10.35s/it] 123it [21:03, 10.38s/it] 124it [21:13, 10.36s/it] 125it [21:24, 10.33s/it] 126it [21:34, 10.30s/it] 127it [21:44, 10.32s/it] 128it [21:55, 10.36s/it] 129it [22:05, 10.42s/it] 130it [22:16, 10.41s/it] 131it [22:26, 10.36s/it] 132it [22:36, 10.29s/it] 133it [22:46, 10.28s/it] 134it [22:56, 10.25s/it] 135it [23:07, 10.23s/it] 136it [23:17, 10.22s/it] 137it [23:27, 10.22s/it] 138it [23:37, 10.21s/it] 139it [23:47, 10.22s/it] 140it [23:58, 10.24s/it] 141it [24:08, 10.25s/it] 142it [24:18, 10.25s/it] 143it [24:28, 10.25s/it] 144it [24:39, 10.24s/it] 145it [24:49, 10.23s/it] 146it [24:59, 10.24s/it] 147it [25:09, 10.23s/it] 148it [25:19, 10.22s/it] 149it [25:30, 10.22s/it] 150it [25:40, 10.27s/it] 151it [25:50, 10.26s/it] 152it [26:01, 10.25s/it] 153it [26:11, 10.24s/it] 154it [26:21, 10.27s/it] 155it [26:31, 10.25s/it] 156it [26:42, 10.24s/it] 157it [26:52, 10.25s/it] 158it [27:02, 10.23s/it] 159it [27:12, 10.22s/it] 160it [27:22, 10.23s/it] 161it [27:33, 10.23s/it] 162it [27:43, 10.25s/it] 163it [27:53, 10.20s/it] 164it [28:03, 10.21s/it] 165it [28:13, 10.21s/it] 166it [28:24, 10.20s/it] 167it [28:34, 10.21s/it] 168it [28:44, 10.20s/it] 169it [28:54, 10.20s/it] 170it [29:04, 10.17s/it] 171it [29:15, 10.20s/it] 172it [29:25, 10.20s/it] 173it [29:35, 10.21s/it] 174it [29:46, 10.30s/it] 175it [29:56, 10.38s/it] 176it [30:07, 10.41s/it] 177it [30:17, 10.46s/it] 178it [30:28, 10.51s/it] 179it [30:38, 10.52s/it] 180it [30:49, 10.52s/it] 181it [30:59, 10.47s/it] 182it [31:09, 10.38s/it] 183it [31:20, 10.32s/it] 184it [31:30, 10.30s/it] 185it [31:40, 10.38s/it] 186it [31:51, 10.36s/it] 187it [32:01, 10.39s/it] 188it [32:12, 10.38s/it] 189it [32:22, 10.35s/it] 190it [32:32, 10.31s/it] 191it [32:43, 10.37s/it] 192it [32:53, 10.39s/it] 193it [33:03, 10.40s/it] 194it [33:14, 10.38s/it] 195it [33:24, 10.37s/it] 196it [33:34, 10.36s/it] 197it [33:45, 10.35s/it] 198it [33:55, 10.32s/it] 199it [34:05, 10.33s/it] 200it [34:16, 10.32s/it] 201it [34:26, 10.32s/it] 202it [34:36, 10.31s/it] 203it [34:46, 10.28s/it] 204it [34:57, 10.27s/it] 205it [35:07, 10.29s/it] 206it [35:18, 10.39s/it] 207it [35:28, 10.48s/it] 208it [35:39, 10.55s/it] 209it [35:50, 10.59s/it] 210it [36:00, 10.61s/it] 211it [36:11, 10.60s/it] 212it [36:21, 10.55s/it] 213it [36:32, 10.50s/it] 214it [36:42, 10.53s/it] 215it [36:53, 10.44s/it] 216it [37:03, 10.42s/it] 217it [37:13, 10.42s/it] 218it [37:24, 10.38s/it] 219it [37:34, 10.41s/it] 220it [37:44, 10.35s/it] 221it [37:55, 10.30s/it] 222it [38:05, 10.34s/it] 223it [38:16, 10.40s/it] 224it [38:26, 10.45s/it] 225it [38:37, 10.50s/it] 226it [38:47, 10.52s/it] 227it [38:58, 10.59s/it] 228it [39:09, 10.55s/it] 229it [39:19, 10.52s/it] 230it [39:29, 10.49s/it] 231it [39:40, 10.44s/it] 232it [39:50, 10.41s/it] 233it [40:00, 10.40s/it] 234it [40:11, 10.38s/it] 235it [40:21, 10.34s/it] 236it [40:31, 10.30s/it] 237it [40:41, 10.28s/it] 238it [40:52, 10.26s/it] 239it [41:02, 10.29s/it] 240it [41:12, 10.27s/it] 241it [41:23, 10.27s/it] 242it [41:33, 10.27s/it] 243it [41:43, 10.26s/it] 244it [41:53, 10.25s/it] 245it [42:03, 10.25s/it] 246it [42:14, 10.23s/it] 247it [42:24, 10.23s/it] 248it [42:34, 10.22s/it] 249it [42:44, 10.21s/it] 250it [42:55, 10.24s/it] 251it [43:05, 10.25s/it] 252it [43:15, 10.27s/it] 253it [43:25, 10.27s/it] 254it [43:36, 10.27s/it] 255it [43:46, 10.27s/it] 256it [43:56, 10.27s/it] 257it [44:07, 10.26s/it] 258it [44:17, 10.26s/it] 259it [44:27, 10.25s/it] 260it [44:37, 10.26s/it] 261it [44:48, 10.27s/it] 262it [44:58, 10.26s/it] 263it [45:08, 10.25s/it] 264it [45:18, 10.23s/it] 265it [45:29, 10.26s/it] 266it [45:39, 10.28s/it] 267it [45:49, 10.26s/it] 268it [45:59, 10.26s/it] 269it [46:10, 10.24s/it] 270it [46:20, 10.23s/it] 271it [46:30, 10.22s/it] 272it [46:41, 10.33s/it] 273it [46:51, 10.51s/it] 274it [47:02, 10.65s/it] 275it [47:13, 10.69s/it] 276it [47:24, 10.71s/it] 277it [47:34, 10.62s/it] 278it [47:45, 10.56s/it] 279it [47:55, 10.50s/it] 280it [48:06, 10.50s/it] 281it [48:16, 10.48s/it] 282it [48:26, 10.46s/it] 283it [48:37, 10.45s/it] 284it [48:47, 10.43s/it] 285it [48:58, 10.43s/it] 286it [49:08, 10.43s/it] 287it [49:18, 10.38s/it] 288it [49:29, 10.37s/it] 289it [49:39, 10.37s/it] 290it [49:49, 10.35s/it] 291it [50:00, 10.37s/it] 292it [50:10, 10.41s/it] 293it [50:21, 10.54s/it] 294it [50:32, 10.60s/it] 295it [50:43, 10.59s/it] 296it [50:53, 10.49s/it] 297it [51:03, 10.41s/it] 298it [51:13, 10.39s/it] 299it [51:24, 10.37s/it] 300it [51:34, 10.32s/it] 301it [51:44, 10.39s/it] 302it [51:55, 10.37s/it] 303it [52:05, 10.40s/it] 304it [52:16, 10.39s/it] 305it [52:26, 10.39s/it] 306it [52:37, 10.52s/it] 307it [52:47, 10.51s/it] 308it [52:58, 10.43s/it] 309it [53:08, 10.39s/it] 310it [53:18, 10.39s/it] 311it [53:29, 10.39s/it] 312it [53:39, 10.39s/it] 313it [53:49, 10.38s/it] 314it [54:00, 10.37s/it] 315it [54:10, 10.38s/it] 316it [54:21, 10.39s/it] 317it [54:31, 10.35s/it] 318it [54:41, 10.34s/it] 319it [54:51, 10.33s/it] 320it [55:02, 10.32s/it] 321it [55:12, 10.33s/it] 322it [55:22, 10.33s/it] 323it [55:33, 10.35s/it] 324it [55:43, 10.35s/it] 325it [55:53, 10.32s/it] 326it [56:04, 10.33s/it] 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810it [2:18:40, 10.00s/it] 811it [2:18:50, 10.00s/it] 812it [2:19:00, 9.99s/it] 813it [2:19:10, 9.99s/it] 814it [2:19:20, 10.00s/it] 815it [2:19:30, 10.00s/it] 816it [2:19:40, 10.00s/it] 817it [2:19:50, 10.00s/it] 818it [2:20:00, 10.01s/it] 819it [2:20:11, 10.09s/it] 820it [2:20:21, 10.06s/it] 821it [2:20:31, 10.08s/it] 822it [2:20:41, 10.14s/it] 823it [2:20:51, 10.10s/it] 824it [2:21:01, 10.18s/it] 825it [2:21:12, 10.22s/it] 826it [2:21:22, 10.30s/it] 827it [2:21:33, 10.34s/it] 828it [2:21:43, 10.36s/it] 829it [2:21:54, 10.38s/it] 830it [2:22:04, 10.38s/it] 831it [2:22:14, 10.27s/it] 832it [2:22:24, 10.20s/it] 833it [2:22:34, 10.26s/it] 834it [2:22:45, 10.31s/it] 835it [2:22:55, 10.33s/it] 836it [2:23:05, 10.27s/it] 837it [2:23:15, 10.18s/it] 838it [2:23:26, 10.22s/it] 839it [2:23:36, 10.29s/it] 840it [2:23:46, 10.31s/it] 841it [2:23:57, 10.31s/it] 842it [2:24:07, 10.31s/it] 843it [2:24:17, 10.30s/it] 844it [2:24:28, 10.31s/it] 845it [2:24:38, 10.33s/it] 846it [2:24:48, 10.32s/it] 847it [2:24:59, 10.32s/it] 848it [2:25:09, 10.25s/it] 849it [2:25:19, 10.19s/it] 850it [2:25:29, 10.13s/it] 851it [2:25:39, 10.09s/it] 852it [2:25:49, 10.07s/it] 853it [2:25:59, 10.06s/it] 854it [2:26:09, 10.06s/it] 855it [2:26:19, 10.06s/it] 856it [2:26:29, 10.08s/it] 857it [2:26:39, 10.09s/it] 858it [2:26:49, 10.05s/it] 859it [2:26:59, 10.03s/it] 860it [2:27:09, 10.01s/it] 861it [2:27:19, 9.99s/it] 862it [2:27:29, 10.05s/it] 863it [2:27:40, 10.14s/it] 864it [2:27:50, 10.20s/it] 865it [2:28:00, 10.24s/it] 866it [2:28:11, 10.29s/it] 867it [2:28:21, 10.31s/it] 868it [2:28:31, 10.30s/it] 869it [2:28:42, 10.33s/it] 870it [2:28:52, 10.33s/it] 871it [2:29:02, 10.23s/it] 872it [2:29:12, 10.18s/it] 873it [2:29:22, 10.14s/it] 874it [2:29:32, 10.10s/it] 875it [2:29:42, 10.09s/it] 876it [2:29:52, 10.07s/it] 877it [2:30:02, 10.04s/it] 878it [2:30:12, 10.04s/it] 879it [2:30:22, 10.04s/it] 880it [2:30:32, 10.01s/it] 881it [2:30:42, 10.00s/it] 882it [2:30:52, 10.00s/it] 883it [2:31:02, 10.02s/it] 884it [2:31:13, 10.11s/it] 885it [2:31:23, 10.05s/it] 886it [2:31:32, 10.02s/it] 887it [2:31:42, 10.01s/it] 888it [2:31:52, 10.01s/it] 889it [2:32:02, 10.00s/it] 890it [2:32:12, 9.99s/it] 891it [2:32:22, 9.98s/it] 892it [2:32:33, 10.08s/it] 893it [2:32:43, 10.15s/it] 894it [2:32:53, 10.12s/it] 895it [2:33:03, 10.09s/it] 896it [2:33:13, 10.06s/it] 897it [2:33:23, 10.03s/it] 898it [2:33:33, 10.02s/it] 899it [2:33:43, 10.01s/it] 900it [2:33:53, 10.00s/it] 901it [2:34:03, 10.01s/it] 902it [2:34:13, 10.01s/it] 903it [2:34:23, 10.01s/it] 904it [2:34:33, 10.04s/it] 905it [2:34:43, 10.00s/it] 906it [2:34:53, 10.01s/it] 907it [2:35:03, 10.12s/it] 908it [2:35:14, 10.18s/it] 909it [2:35:24, 10.25s/it] 910it [2:35:34, 10.17s/it] 911it [2:35:44, 10.11s/it] 912it [2:35:54, 10.06s/it] 913it [2:36:04, 10.04s/it] 914it [2:36:14, 10.04s/it] 915it [2:36:24, 10.03s/it] 916it [2:36:34, 10.06s/it] 917it [2:36:44, 10.05s/it] 918it [2:36:54, 10.03s/it] 919it [2:37:04, 10.02s/it] 920it [2:37:14, 10.03s/it] 921it [2:37:24, 10.02s/it] 922it [2:37:34, 10.01s/it] 923it [2:37:44, 10.00s/it] 924it [2:37:54, 10.00s/it] 925it [2:38:04, 10.00s/it] 926it [2:38:14, 10.00s/it] 927it [2:38:24, 10.00s/it] 928it [2:38:34, 9.98s/it] 929it [2:38:44, 9.98s/it] 930it [2:38:54, 9.99s/it] 931it [2:39:04, 9.98s/it] 932it [2:39:14, 10.05s/it] 933it [2:39:25, 10.12s/it] 934it [2:39:35, 10.17s/it] 935it [2:39:45, 10.22s/it] 936it [2:39:56, 10.23s/it] 937it [2:40:06, 10.22s/it] 938it [2:40:16, 10.16s/it] 939it [2:40:26, 10.09s/it] 940it [2:40:36, 10.05s/it] 941it [2:40:46, 10.05s/it] 942it [2:40:56, 10.03s/it] 943it [2:41:06, 10.01s/it] 944it [2:41:16, 10.00s/it] 945it [2:41:26, 10.00s/it] 946it [2:41:36, 10.01s/it] 947it [2:41:46, 10.01s/it] 948it [2:41:56, 10.02s/it] 949it [2:42:06, 10.10s/it] 950it [2:42:16, 10.11s/it] 951it [2:42:26, 10.08s/it] 952it [2:42:36, 10.04s/it] 953it [2:42:46, 10.11s/it] 954it [2:42:57, 10.14s/it] 955it [2:43:07, 10.09s/it] 956it [2:43:17, 10.14s/it] 957it [2:43:27, 10.18s/it] 958it [2:43:37, 10.13s/it] 959it [2:43:47, 10.09s/it] 960it [2:43:57, 10.05s/it] 961it [2:44:07, 10.04s/it] 962it [2:44:17, 10.03s/it] 963it [2:44:27, 10.12s/it] 964it [2:44:38, 10.19s/it] 965it [2:44:48, 10.23s/it] 966it [2:44:58, 10.17s/it] 967it [2:45:08, 10.15s/it] 968it [2:45:18, 10.10s/it] 969it [2:45:28, 10.06s/it] 970it [2:45:38, 10.03s/it] 971it [2:45:48, 10.04s/it] 972it [2:45:58, 10.03s/it] 973it [2:46:08, 10.01s/it] 974it [2:46:18, 10.01s/it] 975it [2:46:28, 10.00s/it] 976it [2:46:38, 10.00s/it] 977it [2:46:48, 9.98s/it] 978it [2:46:58, 9.97s/it] 979it [2:47:08, 9.97s/it] 980it [2:47:18, 9.97s/it] 981it [2:47:28, 9.98s/it] 982it [2:47:38, 9.97s/it] 983it [2:47:48, 9.98s/it] 984it [2:47:58, 9.98s/it] 985it [2:48:08, 9.98s/it] 986it [2:48:18, 9.97s/it] 987it [2:48:28, 9.99s/it] 988it [2:48:38, 9.99s/it] 989it [2:48:48, 9.98s/it] 990it [2:48:58, 10.00s/it] 991it [2:49:08, 9.99s/it] 992it [2:49:18, 10.00s/it] 993it [2:49:28, 9.99s/it] 994it [2:49:38, 9.99s/it] 995it [2:49:48, 9.98s/it] 996it [2:49:58, 9.97s/it] 997it [2:50:08, 9.96s/it] 998it [2:50:18, 9.96s/it] 999it [2:50:28, 9.96s/it] 1000it [2:50:37, 9.96s/it] 1000it [2:50:37, 10.24s/it] Error counts: linear_id: 0 linear_inchikey: 0 linear_scaffold: 0 linear_mwt: 0 linear_clogp: 0 linear_tpsa: 0 ⏰ Completed process in 3:07:33.800001 0it [00:00, ?it/s] 1it [00:08, 8.29s/it] 2it [00:16, 8.27s/it] 3it [00:24, 8.24s/it] 4it [00:32, 8.24s/it] 5it [00:41, 8.25s/it] 6it [00:49, 8.34s/it] 7it [00:58, 8.40s/it] 8it [01:06, 8.44s/it] 9it [01:15, 8.44s/it] 10it [01:23, 8.38s/it] 11it [01:31, 8.35s/it] 12it [01:40, 8.32s/it] 13it [01:48, 8.30s/it] 14it [01:56, 8.28s/it] 15it [02:04, 8.28s/it] 16it [02:13, 8.35s/it] 17it [02:21, 8.34s/it] 18it [02:29, 8.32s/it] 19it [02:38, 8.31s/it] 20it [02:46, 8.29s/it] 21it [02:54, 8.28s/it] 22it [03:03, 8.29s/it] 23it [03:11, 8.28s/it] 24it [03:19, 8.28s/it] 25it [03:27, 8.27s/it] 26it [03:36, 8.27s/it] 27it [03:44, 8.26s/it] 28it [03:52, 8.26s/it] 29it [04:00, 8.27s/it] 30it [04:09, 8.27s/it] 31it [04:17, 8.28s/it] 32it [04:25, 8.29s/it] 33it [04:33, 8.28s/it] 34it [04:42, 8.29s/it] 35it [04:50, 8.28s/it] 36it [04:58, 8.28s/it] 37it [05:07, 8.36s/it] 38it [05:15, 8.38s/it] 39it [05:24, 8.34s/it] 40it [05:32, 8.32s/it] 41it [05:40, 8.30s/it] 42it [05:48, 8.29s/it] 43it [05:57, 8.29s/it] 44it [06:05, 8.28s/it] 45it [06:13, 8.27s/it] 46it [06:21, 8.28s/it] 47it [06:30, 8.26s/it] 48it [06:38, 8.26s/it] 49it [06:46, 8.26s/it] 50it [06:55, 8.32s/it] 51it [07:03, 8.38s/it] 52it [07:12, 8.41s/it] 53it [07:20, 8.37s/it] 54it [07:28, 8.35s/it] 55it [07:36, 8.32s/it] 56it [07:45, 8.31s/it] 57it [07:53, 8.30s/it] 58it [08:01, 8.27s/it] 59it [08:10, 8.28s/it] 60it [08:18, 8.28s/it] 61it [08:26, 8.28s/it] 62it [08:34, 8.28s/it] 63it [08:43, 8.27s/it] 64it [08:51, 8.28s/it] 65it [08:59, 8.28s/it] 66it [09:07, 8.29s/it] 67it [09:16, 8.28s/it] 68it [09:24, 8.28s/it] 69it [09:32, 8.28s/it] 70it [09:41, 8.38s/it] 71it [09:49, 8.42s/it] 72it [09:58, 8.38s/it] 73it [10:06, 8.37s/it] 74it [10:14, 8.34s/it] 75it [10:23, 8.33s/it] 76it [10:31, 8.33s/it] 77it [10:39, 8.32s/it] 78it [10:48, 8.33s/it] 79it [10:56, 8.42s/it] 80it [11:05, 8.48s/it] 81it [11:13, 8.51s/it] 82it [11:22, 8.52s/it] 83it [11:30, 8.51s/it] 84it [11:39, 8.46s/it] 85it [11:47, 8.40s/it] 86it [11:55, 8.38s/it] 87it [12:04, 8.32s/it] 88it [12:12, 8.33s/it] 89it [12:20, 8.32s/it] 90it [12:28, 8.30s/it] 91it [12:37, 8.29s/it] 92it [12:45, 8.30s/it] 93it [12:53, 8.29s/it] 94it [13:02, 8.26s/it] 95it [13:10, 8.25s/it] 96it [13:18, 8.24s/it] 97it [13:26, 8.24s/it] 98it [13:34, 8.24s/it] 99it [13:43, 8.34s/it] 100it [13:52, 8.40s/it] 101it [14:00, 8.45s/it] 102it [14:09, 8.46s/it] 103it [14:17, 8.41s/it] 104it [14:25, 8.36s/it] 105it [14:33, 8.34s/it] 106it [14:42, 8.34s/it] 107it [14:50, 8.33s/it] 108it [14:58, 8.31s/it] 109it [15:07, 8.32s/it] 110it [15:15, 8.37s/it] 111it [15:24, 8.40s/it] 112it [15:32, 8.36s/it] 113it [15:40, 8.33s/it] 114it [15:48, 8.31s/it] 115it [15:57, 8.31s/it] 116it [16:05, 8.29s/it] 117it [16:13, 8.27s/it] 118it [16:22, 8.29s/it] 119it [16:30, 8.30s/it] 120it [16:38, 8.29s/it] 121it [16:46, 8.29s/it] 122it [16:55, 8.28s/it] 123it [17:03, 8.28s/it] 124it [17:11, 8.29s/it] 125it [17:20, 8.28s/it] 126it [17:28, 8.26s/it] 127it [17:36, 8.25s/it] 128it [17:44, 8.24s/it] 129it [17:52, 8.24s/it] 130it [18:01, 8.30s/it] 131it [18:09, 8.37s/it] 132it [18:18, 8.40s/it] 133it [18:26, 8.44s/it] 134it [18:35, 8.46s/it] 135it [18:43, 8.47s/it] 136it [18:52, 8.47s/it] 137it [19:00, 8.47s/it] 138it [19:09, 8.49s/it] 139it [19:17, 8.48s/it] 140it [19:26, 8.42s/it] 141it [19:34, 8.38s/it] 142it [19:42, 8.36s/it] 143it [19:51, 8.36s/it] 144it [19:59, 8.32s/it] 145it [20:07, 8.32s/it] 146it [20:16, 8.34s/it] 147it [20:24, 8.31s/it] 148it [20:32, 8.31s/it] 149it [20:40, 8.29s/it] 150it [20:49, 8.32s/it] 151it [20:57, 8.31s/it] 152it [21:05, 8.30s/it] 153it [21:14, 8.28s/it] 154it [21:22, 8.29s/it] 155it [21:30, 8.28s/it] 156it [21:38, 8.31s/it] 157it [21:47, 8.30s/it] 158it [21:55, 8.28s/it] 159it [22:03, 8.27s/it] 160it [22:12, 8.28s/it] 161it [22:20, 8.28s/it] 162it [22:28, 8.28s/it] 163it [22:36, 8.27s/it] 164it [22:45, 8.27s/it] 165it [22:53, 8.27s/it] 166it [23:01, 8.27s/it] 167it [23:10, 8.35s/it] 168it [23:18, 8.43s/it] 169it [23:27, 8.38s/it] 170it [23:35, 8.34s/it] 171it [23:43, 8.33s/it] 172it [23:51, 8.31s/it] 173it [24:00, 8.31s/it] 174it [24:08, 8.30s/it] 175it [24:16, 8.31s/it] 176it [24:25, 8.29s/it] 177it [24:33, 8.36s/it] 178it [24:41, 8.33s/it] 179it [24:50, 8.32s/it] 180it [24:58, 8.31s/it] 181it [25:06, 8.31s/it] 182it [25:14, 8.29s/it] 183it [25:23, 8.31s/it] 184it [25:31, 8.35s/it] 185it [25:40, 8.41s/it] 186it [25:48, 8.37s/it] 187it [25:56, 8.35s/it] 188it [26:05, 8.33s/it] 189it [26:13, 8.33s/it] 190it [26:21, 8.32s/it] 191it [26:30, 8.31s/it] 192it [26:38, 8.31s/it] 193it [26:46, 8.32s/it] 194it [26:55, 8.31s/it] 195it [27:03, 8.29s/it] 196it [27:11, 8.30s/it] 197it [27:20, 8.36s/it] 198it [27:28, 8.38s/it] 199it [27:36, 8.36s/it] 200it [27:45, 8.35s/it] 201it [27:53, 8.34s/it] 202it [28:01, 8.33s/it] 203it [28:10, 8.32s/it] 204it [28:18, 8.31s/it] 205it [28:26, 8.32s/it] 206it [28:35, 8.40s/it] 207it [28:43, 8.44s/it] 208it [28:52, 8.46s/it] 209it [29:00, 8.40s/it] 210it [29:09, 8.40s/it] 211it [29:17, 8.40s/it] 212it [29:25, 8.37s/it] 213it [29:34, 8.35s/it] 214it [29:42, 8.31s/it] 215it [29:50, 8.30s/it] 216it [29:59, 8.37s/it] 217it [30:07, 8.41s/it] 218it [30:16, 8.46s/it] 219it [30:24, 8.50s/it] 220it [30:33, 8.50s/it] 221it [30:41, 8.44s/it] 222it [30:49, 8.39s/it] 223it [30:58, 8.45s/it] 224it [31:06, 8.48s/it] 225it [31:15, 8.48s/it] 226it [31:23, 8.44s/it] 227it [31:32, 8.40s/it] 228it [31:40, 8.36s/it] 229it [31:48, 8.34s/it] 230it [31:56, 8.33s/it] 231it [32:05, 8.33s/it] 232it [32:13, 8.32s/it] 233it [32:21, 8.33s/it] 234it [32:30, 8.34s/it] 235it [32:38, 8.34s/it] 236it [32:46, 8.33s/it] 237it [32:55, 8.31s/it] 238it [33:03, 8.31s/it] 239it [33:11, 8.33s/it] 240it [33:20, 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677it [1:34:11, 8.30s/it] 678it [1:34:19, 8.29s/it] 679it [1:34:27, 8.29s/it] 680it [1:34:35, 8.28s/it] 681it [1:34:44, 8.27s/it] 682it [1:34:52, 8.27s/it] 683it [1:35:00, 8.27s/it] 684it [1:35:08, 8.28s/it] 685it [1:35:17, 8.27s/it] 686it [1:35:25, 8.27s/it] 687it [1:35:33, 8.27s/it] 688it [1:35:41, 8.26s/it] 689it [1:35:50, 8.27s/it] 690it [1:35:58, 8.24s/it] 691it [1:36:06, 8.23s/it] 692it [1:36:14, 8.23s/it] 693it [1:36:23, 8.25s/it] 694it [1:36:31, 8.26s/it] 695it [1:36:39, 8.25s/it] 696it [1:36:47, 8.24s/it] 697it [1:36:56, 8.25s/it] 698it [1:37:04, 8.24s/it] 699it [1:37:12, 8.24s/it] 700it [1:37:20, 8.26s/it] 701it [1:37:29, 8.27s/it] 702it [1:37:37, 8.27s/it] 703it [1:37:45, 8.27s/it] 704it [1:37:54, 8.27s/it] 705it [1:38:02, 8.25s/it] 706it [1:38:10, 8.26s/it] 707it [1:38:18, 8.28s/it] 708it [1:38:27, 8.29s/it] 709it [1:38:35, 8.31s/it] 710it [1:38:43, 8.32s/it] 711it [1:38:52, 8.32s/it] 712it [1:39:00, 8.32s/it] 713it [1:39:08, 8.33s/it] 714it [1:39:17, 8.34s/it] 715it [1:39:25, 8.35s/it] 716it [1:39:34, 8.37s/it] 717it [1:39:42, 8.37s/it] 718it [1:39:50, 8.38s/it] 719it [1:39:59, 8.38s/it] 720it [1:40:07, 8.37s/it] 721it [1:40:16, 8.46s/it] 722it [1:40:24, 8.50s/it] 723it [1:40:33, 8.53s/it] 724it [1:40:41, 8.52s/it] 725it [1:40:50, 8.52s/it] 726it [1:40:58, 8.50s/it] 727it [1:41:07, 8.47s/it] 728it [1:41:15, 8.43s/it] 729it [1:41:23, 8.41s/it] 730it [1:41:32, 8.40s/it] 731it [1:41:40, 8.37s/it] 732it [1:41:48, 8.34s/it] 733it [1:41:57, 8.34s/it] 734it [1:42:05, 8.32s/it] 735it [1:42:13, 8.30s/it] 736it [1:42:22, 8.29s/it] 737it [1:42:30, 8.28s/it] 738it [1:42:38, 8.28s/it] 739it [1:42:46, 8.30s/it] 740it [1:42:55, 8.29s/it] 741it [1:43:03, 8.29s/it] 742it [1:43:11, 8.32s/it] 743it [1:43:20, 8.30s/it] 744it [1:43:28, 8.31s/it] 745it [1:43:36, 8.30s/it] 746it [1:43:45, 8.30s/it] 747it [1:43:53, 8.30s/it] 748it [1:44:01, 8.30s/it] 749it [1:44:09, 8.28s/it] 750it [1:44:18, 8.28s/it] 751it [1:44:26, 8.26s/it] 752it [1:44:34, 8.26s/it] 753it [1:44:42, 8.25s/it] 754it [1:44:51, 8.25s/it] 755it [1:44:59, 8.24s/it] 756it [1:45:07, 8.24s/it] 757it [1:45:15, 8.24s/it] 758it [1:45:24, 8.23s/it] 759it [1:45:32, 8.24s/it] 760it [1:45:40, 8.25s/it] 761it [1:45:48, 8.26s/it] 762it [1:45:57, 8.28s/it] 763it [1:46:05, 8.26s/it] 764it [1:46:13, 8.28s/it] 765it [1:46:22, 8.28s/it] 766it [1:46:30, 8.31s/it] 767it [1:46:38, 8.31s/it] 768it [1:46:47, 8.32s/it] 769it [1:46:55, 8.32s/it] 770it [1:47:03, 8.33s/it] 771it [1:47:12, 8.34s/it] 772it [1:47:20, 8.34s/it] 773it [1:47:28, 8.34s/it] 774it [1:47:37, 8.34s/it] 775it [1:47:45, 8.34s/it] 776it [1:47:53, 8.36s/it] 777it [1:48:02, 8.35s/it] 778it [1:48:10, 8.37s/it] 779it [1:48:19, 8.39s/it] 780it [1:48:27, 8.37s/it] 781it [1:48:35, 8.36s/it] 782it [1:48:44, 8.37s/it] 783it [1:48:52, 8.38s/it] 784it [1:49:00, 8.37s/it] 785it [1:49:09, 8.37s/it] 786it [1:49:17, 8.36s/it] 787it [1:49:25, 8.35s/it] 788it [1:49:34, 8.35s/it] 789it [1:49:42, 8.40s/it] 790it [1:49:51, 8.51s/it] 791it [1:50:00, 8.61s/it] 792it [1:50:09, 8.65s/it] 793it [1:50:17, 8.68s/it] 794it [1:50:26, 8.70s/it] 795it [1:50:35, 8.72s/it] 796it [1:50:44, 8.74s/it] 797it [1:50:52, 8.73s/it] 798it [1:51:01, 8.72s/it] 799it [1:51:10, 8.71s/it] 800it [1:51:18, 8.63s/it] 801it [1:51:27, 8.62s/it] 802it [1:51:35, 8.54s/it] 803it [1:51:44, 8.52s/it] 804it [1:51:52, 8.47s/it] 805it [1:52:00, 8.49s/it] 806it [1:52:09, 8.47s/it] 807it [1:52:17, 8.45s/it] 808it [1:52:26, 8.43s/it] 809it [1:52:34, 8.41s/it] 810it [1:52:42, 8.41s/it] 811it [1:52:51, 8.42s/it] 812it [1:52:59, 8.42s/it] 813it [1:53:08, 8.44s/it] 814it [1:53:16, 8.48s/it] 815it [1:53:25, 8.49s/it] 816it [1:53:33, 8.49s/it] 817it [1:53:42, 8.49s/it] 818it [1:53:51, 8.54s/it] 819it [1:53:59, 8.53s/it] 820it [1:54:08, 8.52s/it] 821it [1:54:16, 8.47s/it] 822it [1:54:24, 8.43s/it] 823it [1:54:33, 8.42s/it] 824it [1:54:41, 8.40s/it] 825it [1:54:49, 8.39s/it] 826it [1:54:58, 8.42s/it] 827it [1:55:06, 8.43s/it] 828it [1:55:15, 8.41s/it] 829it [1:55:23, 8.40s/it] 830it [1:55:31, 8.39s/it] 831it [1:55:40, 8.39s/it] 832it [1:55:48, 8.39s/it] 833it [1:55:57, 8.42s/it] 834it [1:56:05, 8.41s/it] 835it [1:56:13, 8.39s/it] 836it [1:56:22, 8.39s/it] 837it [1:56:30, 8.38s/it] 838it [1:56:39, 8.38s/it] 839it [1:56:47, 8.39s/it] 840it [1:56:55, 8.37s/it] 841it [1:57:04, 8.37s/it] 842it [1:57:12, 8.38s/it] 843it [1:57:20, 8.37s/it] 844it [1:57:29, 8.37s/it] 845it [1:57:37, 8.38s/it] 846it [1:57:45, 8.35s/it] 847it [1:57:54, 8.35s/it] 848it [1:58:02, 8.37s/it] 849it [1:58:11, 8.37s/it] 850it [1:58:19, 8.36s/it] 851it [1:58:27, 8.36s/it] 852it [1:58:36, 8.37s/it] 853it [1:58:44, 8.39s/it] 854it [1:58:52, 8.39s/it] 855it [1:59:01, 8.39s/it] 856it [1:59:09, 8.38s/it] 857it [1:59:18, 8.36s/it] 858it [1:59:26, 8.36s/it] 859it [1:59:34, 8.34s/it] 860it [1:59:43, 8.38s/it] 861it [1:59:51, 8.38s/it] 862it [1:59:59, 8.39s/it] 863it [2:00:08, 8.39s/it] 864it [2:00:16, 8.39s/it] 865it [2:00:25, 8.40s/it] 866it [2:00:33, 8.39s/it] 867it [2:00:41, 8.37s/it] 868it [2:00:50, 8.35s/it] 869it [2:00:58, 8.33s/it] 870it [2:01:06, 8.34s/it] 871it [2:01:15, 8.32s/it] 872it [2:01:23, 8.33s/it] 873it [2:01:31, 8.37s/it] 874it [2:01:40, 8.41s/it] 875it [2:01:48, 8.43s/it] 876it [2:01:57, 8.42s/it] 877it [2:02:05, 8.38s/it] 878it [2:02:13, 8.38s/it] 879it [2:02:22, 8.37s/it] 880it [2:02:30, 8.35s/it] 881it [2:02:38, 8.36s/it] 882it [2:02:47, 8.35s/it] 883it [2:02:55, 8.35s/it] 884it [2:03:03, 8.36s/it] 885it [2:03:12, 8.33s/it] 886it [2:03:20, 8.33s/it] 887it [2:03:28, 8.32s/it] 888it [2:03:37, 8.34s/it] 889it [2:03:45, 8.35s/it] 890it [2:03:53, 8.34s/it] 891it [2:04:02, 8.37s/it] 892it [2:04:10, 8.38s/it] 893it [2:04:19, 8.37s/it] 894it [2:04:27, 8.37s/it] 895it [2:04:35, 8.39s/it] 896it [2:04:44, 8.39s/it] 897it [2:04:52, 8.38s/it] 898it [2:05:01, 8.37s/it] 899it [2:05:09, 8.35s/it] 900it [2:05:17, 8.35s/it] 901it [2:05:26, 8.37s/it] 902it [2:05:34, 8.37s/it] 903it [2:05:42, 8.36s/it] 904it [2:05:51, 8.34s/it] 905it [2:05:59, 8.31s/it] 906it [2:06:07, 8.31s/it] 907it [2:06:16, 8.32s/it] 908it [2:06:24, 8.32s/it] 909it [2:06:32, 8.32s/it] 910it [2:06:40, 8.32s/it] 911it [2:06:49, 8.32s/it] 912it [2:06:57, 8.31s/it] 913it [2:07:05, 8.31s/it] 914it [2:07:14, 8.32s/it] 915it [2:07:22, 8.32s/it] 916it [2:07:30, 8.32s/it] 917it [2:07:39, 8.32s/it] 918it [2:07:47, 8.31s/it] 919it [2:07:55, 8.31s/it] 920it [2:08:04, 8.31s/it] 921it [2:08:12, 8.31s/it] 922it [2:08:20, 8.31s/it] 923it [2:08:28, 8.30s/it] 924it [2:08:37, 8.31s/it] 925it [2:08:45, 8.31s/it] 926it [2:08:53, 8.30s/it] 927it [2:09:02, 8.33s/it] 928it [2:09:10, 8.32s/it] 929it [2:09:18, 8.32s/it] 930it [2:09:27, 8.30s/it] 931it [2:09:35, 8.29s/it] 932it [2:09:43, 8.32s/it] 933it [2:09:52, 8.34s/it] 934it [2:10:00, 8.31s/it] 935it [2:10:08, 8.32s/it] 936it [2:10:17, 8.30s/it] 937it [2:10:25, 8.28s/it] 938it [2:10:33, 8.29s/it] 939it [2:10:41, 8.29s/it] 940it [2:10:50, 8.27s/it] 941it [2:10:58, 8.26s/it] 942it [2:11:06, 8.27s/it] 943it [2:11:14, 8.28s/it] 944it [2:11:23, 8.27s/it] 945it [2:11:31, 8.26s/it] 946it [2:11:39, 8.27s/it] 947it [2:11:48, 8.27s/it] 948it [2:11:56, 8.28s/it] 949it [2:12:04, 8.27s/it] 950it [2:12:12, 8.25s/it] 951it [2:12:21, 8.26s/it] 952it [2:12:29, 8.36s/it] 953it [2:12:37, 8.36s/it] 954it [2:12:46, 8.39s/it] 955it [2:12:54, 8.36s/it] 956it [2:13:03, 8.35s/it] 957it [2:13:11, 8.34s/it] 958it [2:13:19, 8.33s/it] 959it [2:13:28, 8.32s/it] 960it [2:13:36, 8.31s/it] 961it [2:13:44, 8.32s/it] 962it [2:13:52, 8.30s/it] 963it [2:14:01, 8.28s/it] 964it [2:14:09, 8.28s/it] 965it [2:14:17, 8.29s/it] 966it [2:14:25, 8.28s/it] 967it [2:14:34, 8.30s/it] 968it [2:14:42, 8.31s/it] 969it [2:14:50, 8.30s/it] 970it [2:14:59, 8.31s/it] 971it [2:15:07, 8.33s/it] 972it [2:15:15, 8.33s/it] 973it [2:15:24, 8.33s/it] 974it [2:15:32, 8.35s/it] 975it [2:15:41, 8.35s/it] 976it [2:15:49, 8.33s/it] 977it [2:15:57, 8.33s/it] 978it [2:16:05, 8.32s/it] 979it [2:16:14, 8.35s/it] 980it [2:16:22, 8.34s/it] 981it [2:16:30, 8.33s/it] 982it [2:16:39, 8.31s/it] 983it [2:16:47, 8.31s/it] 984it [2:16:55, 8.30s/it] 985it [2:17:04, 8.30s/it] 986it [2:17:12, 8.30s/it] 987it [2:17:20, 8.32s/it] 988it [2:17:29, 8.32s/it] 989it [2:17:37, 8.31s/it] 990it [2:17:45, 8.31s/it] 991it [2:17:53, 8.30s/it] 992it [2:18:02, 8.32s/it] 993it [2:18:10, 8.33s/it] 994it [2:18:19, 8.32s/it] 995it [2:18:27, 8.31s/it] 996it [2:18:35, 8.31s/it] 997it [2:18:43, 8.30s/it] 998it [2:18:52, 8.30s/it] 999it [2:19:00, 8.30s/it] 1000it [2:19:08, 8.31s/it] 1000it [2:19:08, 8.35s/it] Error counts: cysteine_to_N_cyclization: 0 ⏰ Completed process in 5:26:43.244116 0it [00:00, ?it/s] 1it [00:10, 10.76s/it] 2it [00:21, 10.62s/it] 3it [00:31, 10.55s/it] 4it [00:42, 10.54s/it] 5it [00:52, 10.57s/it] 6it [01:03, 10.56s/it] 7it [01:14, 10.58s/it] 8it [01:24, 10.58s/it] 9it [01:35, 10.60s/it] 10it [01:45, 10.59s/it] 11it [01:56, 10.60s/it] 12it [02:07, 10.59s/it] 13it [02:17, 10.64s/it] 14it [02:28, 10.58s/it] 15it [02:38, 10.57s/it] 16it [02:49, 10.54s/it] 17it [02:59, 10.55s/it] 18it [03:10, 10.55s/it] 19it [03:20, 10.53s/it] 20it [03:31, 10.52s/it] 21it [03:41, 10.53s/it] 22it [03:52, 10.54s/it] 23it [04:02, 10.53s/it] 24it [04:13, 10.52s/it] 25it [04:23, 10.50s/it] 26it [04:34, 10.51s/it] 27it [04:44, 10.51s/it] 28it [04:55, 10.52s/it] 29it [05:06, 10.55s/it] 30it [05:16, 10.55s/it] 31it [05:27, 10.62s/it] 32it [05:38, 10.67s/it] 33it [05:48, 10.64s/it] 34it [05:59, 10.61s/it] 35it [06:09, 10.60s/it] 36it [06:20, 10.58s/it] 37it [06:31, 10.73s/it] 38it [06:42, 10.82s/it] 39it [06:53, 10.87s/it] 40it [07:04, 10.92s/it] 41it [07:15, 10.81s/it] 42it [07:25, 10.73s/it] 43it [07:36, 10.81s/it] 44it [07:47, 10.79s/it] 45it [07:57, 10.73s/it] 46it [08:08, 10.74s/it] 47it [08:19, 10.71s/it] 48it [08:29, 10.65s/it] 49it [08:40, 10.62s/it] 50it [08:50, 10.59s/it] 51it [09:01, 10.60s/it] 52it [09:12, 10.60s/it] 53it [09:22, 10.56s/it] 54it [09:33, 10.62s/it] 55it [09:43, 10.60s/it] 56it [09:54, 10.59s/it] 57it [10:05, 10.61s/it] 58it [10:15, 10.59s/it] 59it [10:26, 10.57s/it] 60it [10:36, 10.57s/it] 61it [10:47, 10.56s/it] 62it [10:57, 10.54s/it] 63it [11:08, 10.54s/it] 64it [11:18, 10.54s/it] 65it [11:29, 10.52s/it] 66it [11:40, 10.54s/it] 67it [11:50, 10.55s/it] 68it [12:01, 10.55s/it] 69it [12:12, 10.73s/it] 70it [12:23, 10.87s/it] 71it [12:34, 10.77s/it] 72it [12:44, 10.72s/it] 73it [12:55, 10.68s/it] 74it [13:05, 10.66s/it] 75it [13:16, 10.65s/it] 76it [13:27, 10.64s/it] 77it [13:38, 10.73s/it] 78it [13:49, 10.81s/it] 79it [13:59, 10.73s/it] 80it [14:10, 10.73s/it] 81it [14:21, 10.88s/it] 82it [14:32, 11.01s/it] 83it [14:43, 10.94s/it] 84it [14:54, 10.87s/it] 85it [15:05, 10.87s/it] 86it [15:16, 10.98s/it] 87it [15:27, 10.86s/it] 88it [15:37, 10.78s/it] 89it [15:48, 10.73s/it] 90it [15:58, 10.69s/it] 91it [16:09, 10.65s/it] 92it [16:20, 10.65s/it] 93it [16:30, 10.61s/it] 94it [16:41, 10.58s/it] 95it [16:51, 10.59s/it] 96it [17:02, 10.59s/it] 97it [17:12, 10.58s/it] 98it [17:23, 10.58s/it] 99it [17:34, 10.61s/it] 100it [17:44, 10.61s/it] 101it [17:55, 10.64s/it] 102it [18:06, 10.62s/it] 103it [18:16, 10.63s/it] 104it [18:27, 10.63s/it] 105it [18:37, 10.61s/it] 106it [18:48, 10.62s/it] 107it [18:59, 10.73s/it] 108it [19:10, 10.84s/it] 109it [19:21, 10.92s/it] 110it [19:32, 10.97s/it] 111it [19:43, 11.01s/it] 112it [19:54, 11.04s/it] 113it [20:06, 11.05s/it] 114it [20:17, 11.09s/it] 115it [20:28, 11.06s/it] 116it [20:39, 11.00s/it] 117it [20:49, 10.92s/it] 118it [21:00, 10.84s/it] 119it [21:11, 10.77s/it] 120it [21:21, 10.72s/it] 121it [21:32, 10.68s/it] 122it [21:42, 10.65s/it] 123it [21:53, 10.66s/it] 124it [22:04, 10.66s/it] 125it [22:14, 10.64s/it] 126it [22:25, 10.62s/it] 127it [22:35, 10.61s/it] 128it [22:46, 10.57s/it] 129it [22:57, 10.68s/it] 130it [23:07, 10.66s/it] 131it [23:18, 10.63s/it] 132it [23:29, 10.60s/it] 133it [23:39, 10.57s/it] 134it [23:50, 10.55s/it] 135it [24:00, 10.56s/it] 136it [24:11, 10.54s/it] 137it [24:21, 10.55s/it] 138it [24:32, 10.55s/it] 139it [24:42, 10.58s/it] 140it [24:53, 10.69s/it] 141it [25:04, 10.77s/it] 142it [25:15, 10.82s/it] 143it [25:26, 10.87s/it] 144it [25:37, 10.90s/it] 145it [25:48, 10.90s/it] 146it [25:59, 10.88s/it] 147it [26:10, 10.79s/it] 148it [26:20, 10.72s/it] 149it [26:31, 10.67s/it] 150it [26:41, 10.64s/it] 151it [26:52, 10.64s/it] 152it [27:02, 10.63s/it] 153it [27:13, 10.63s/it] 154it [27:24, 10.59s/it] 155it [27:34, 10.59s/it] 156it [27:45, 10.56s/it] 157it [27:55, 10.59s/it] 158it [28:06, 10.56s/it] 159it [28:16, 10.54s/it] 160it [28:27, 10.56s/it] 161it [28:37, 10.56s/it] 162it [28:48, 10.56s/it] 163it [28:59, 10.63s/it] 164it [29:10, 10.73s/it] 165it [29:21, 10.78s/it] 166it [29:32, 10.83s/it] 167it [29:43, 10.89s/it] 168it [29:54, 10.90s/it] 169it [30:04, 10.89s/it] 170it [30:15, 10.78s/it] 171it [30:26, 10.73s/it] 172it [30:36, 10.69s/it] 173it [30:47, 10.66s/it] 174it [30:57, 10.63s/it] 175it [31:08, 10.62s/it] 176it [31:18, 10.58s/it] 177it [31:29, 10.59s/it] 178it [31:40, 10.59s/it] 179it [31:50, 10.60s/it] 180it [32:01, 10.58s/it] 181it [32:11, 10.61s/it] 182it [32:22, 10.59s/it] 183it [32:33, 10.59s/it] 184it [32:43, 10.61s/it] 185it [32:54, 10.60s/it] 186it [33:05, 10.72s/it] 187it [33:16, 10.79s/it] 188it [33:26, 10.72s/it] 189it [33:37, 10.67s/it] 190it [33:48, 10.73s/it] 191it [33:59, 10.79s/it] 192it [34:10, 10.85s/it] 193it [34:21, 10.85s/it] 194it [34:31, 10.75s/it] 195it [34:42, 10.69s/it] 196it [34:52, 10.72s/it] 197it [35:03, 10.79s/it] 198it [35:14, 10.87s/it] 199it [35:25, 10.79s/it] 200it [35:36, 10.76s/it] 201it [35:47, 10.85s/it] 202it [35:58, 10.89s/it] 203it [36:08, 10.84s/it] 204it [36:19, 10.77s/it] 205it [36:30, 10.72s/it] 206it [36:41, 10.80s/it] 207it [36:51, 10.79s/it] 208it [37:02, 10.73s/it] 209it [37:13, 10.78s/it] 210it [37:24, 10.83s/it] 211it [37:35, 10.87s/it] 212it [37:46, 10.82s/it] 213it [37:56, 10.86s/it] 214it [38:07, 10.77s/it] 215it [38:18, 10.73s/it] 216it [38:28, 10.68s/it] 217it [38:39, 10.64s/it] 218it [38:49, 10.64s/it] 219it [39:00, 10.63s/it] 220it [39:11, 10.61s/it] 221it [39:21, 10.62s/it] 222it [39:32, 10.59s/it] 223it [39:42, 10.57s/it] 224it [39:53, 10.56s/it] 225it [40:03, 10.57s/it] 226it [40:14, 10.69s/it] 227it [40:25, 10.68s/it] 228it [40:36, 10.65s/it] 229it [40:46, 10.63s/it] 230it [40:57, 10.63s/it] 231it [41:07, 10.60s/it] 232it [41:18, 10.58s/it] 233it [41:29, 10.61s/it] 234it [41:39, 10.60s/it] 235it [41:50, 10.59s/it] 236it [42:00, 10.58s/it] 237it [42:11, 10.56s/it] 238it [42:21, 10.57s/it] 239it [42:32, 10.57s/it] 240it [42:43, 10.58s/it] 241it [42:53, 10.59s/it] 242it [43:04, 10.59s/it] 243it [43:14, 10.58s/it] 244it [43:25, 10.60s/it] 245it [43:36, 10.58s/it] 246it [43:46, 10.57s/it] 247it [43:57, 10.56s/it] 248it [44:07, 10.54s/it] 249it [44:18, 10.53s/it] 250it [44:28, 10.54s/it] 251it [44:39, 10.60s/it] 252it [44:50, 10.72s/it] 253it [45:01, 10.80s/it] 254it [45:12, 10.85s/it] 255it [45:23, 10.87s/it] 256it [45:33, 10.83s/it] 257it [45:44, 10.85s/it] 258it [45:55, 10.87s/it] 259it [46:06, 10.78s/it] 260it [46:16, 10.73s/it] 261it [46:27, 10.70s/it] 262it [46:38, 10.66s/it] 263it [46:49, 10.72s/it] 264it [46:59, 10.69s/it] 265it [47:10, 10.74s/it] 266it [47:21, 10.83s/it] 267it [47:32, 10.85s/it] 268it [47:43, 10.86s/it] 269it [47:53, 10.77s/it] 270it [48:04, 10.70s/it] 271it [48:14, 10.65s/it] 272it [48:25, 10.63s/it] 273it [48:36, 10.61s/it] 274it [48:46, 10.62s/it] 275it [48:57, 10.62s/it] 276it [49:08, 10.63s/it] 277it [49:18, 10.62s/it] 278it [49:29, 10.62s/it] 279it [49:39, 10.59s/it] 280it [49:50, 10.60s/it] 281it [50:01, 10.62s/it] 282it [50:11, 10.61s/it] 283it [50:22, 10.59s/it] 284it [50:32, 10.59s/it] 285it [50:43, 10.57s/it] 286it [50:53, 10.58s/it] 287it [51:04, 10.57s/it] 288it [51:14, 10.56s/it] 289it [51:25, 10.57s/it] 290it [51:36, 10.57s/it] 291it [51:46, 10.56s/it] 292it [51:57, 10.56s/it] 293it [52:07, 10.56s/it] 294it [52:18, 10.58s/it] 295it [52:29, 10.68s/it] 296it [52:40, 10.77s/it] 297it [52:51, 10.82s/it] 298it [53:02, 10.87s/it] 299it [53:13, 10.90s/it] 300it [53:24, 10.88s/it] 301it [53:35, 10.91s/it] 302it [53:46, 10.93s/it] 303it [53:56, 10.91s/it] 304it [54:07, 10.91s/it] 305it [54:18, 10.91s/it] 306it [54:29, 10.90s/it] 307it [54:40, 10.90s/it] 308it [54:51, 10.83s/it] 309it [55:01, 10.75s/it] 310it [55:12, 10.73s/it] 311it [55:22, 10.68s/it] 312it [55:33, 10.67s/it] 313it [55:44, 10.64s/it] 314it [55:54, 10.60s/it] 315it [56:05, 10.59s/it] 316it [56:15, 10.60s/it] 317it [56:26, 10.58s/it] 318it [56:36, 10.57s/it] 319it [56:47, 10.57s/it] 320it [56:58, 10.58s/it] 321it [57:08, 10.57s/it] 322it [57:19, 10.56s/it] 323it [57:29, 10.57s/it] 324it [57:40, 10.56s/it] 325it [57:50, 10.53s/it] 326it [58:01, 10.54s/it] 327it [58:11, 10.55s/it] 328it [58:22, 10.54s/it] 329it [58:33, 10.56s/it] 330it [58:43, 10.55s/it] 331it [58:54, 10.54s/it] 332it [59:04, 10.53s/it] 333it [59:15, 10.54s/it] 334it [59:25, 10.53s/it] 335it [59:36, 10.56s/it] 336it [59:46, 10.55s/it] 337it [59:57, 10.53s/it] 338it [1:00:07, 10.54s/it] 339it [1:00:18, 10.56s/it] 340it [1:00:29, 10.56s/it] 341it [1:00:39, 10.59s/it] 342it [1:00:50, 10.60s/it] 343it [1:01:00, 10.59s/it] 344it [1:01:11, 10.59s/it] 345it [1:01:22, 10.58s/it] 346it [1:01:32, 10.62s/it] 347it [1:01:43, 10.70s/it] 348it [1:01:54, 10.66s/it] 349it [1:02:04, 10.62s/it] 350it [1:02:15, 10.60s/it] 351it [1:02:25, 10.59s/it] 352it [1:02:36, 10.57s/it] 353it [1:02:46, 10.56s/it] 354it [1:02:57, 10.63s/it] 355it [1:03:08, 10.71s/it] 356it [1:03:19, 10.77s/it] 357it [1:03:30, 10.80s/it] 358it [1:03:41, 10.81s/it] 359it [1:03:51, 10.75s/it] 360it [1:04:02, 10.68s/it] 361it [1:04:12, 10.65s/it] 362it [1:04:23, 10.64s/it] 363it [1:04:34, 10.67s/it] 364it [1:04:44, 10.65s/it] 365it [1:04:55, 10.61s/it] 366it [1:05:05, 10.59s/it] 367it [1:05:16, 10.59s/it] 368it [1:05:27, 10.59s/it] 369it [1:05:37, 10.59s/it] 370it [1:05:48, 10.58s/it] 371it [1:05:58, 10.57s/it] 372it [1:06:09, 10.56s/it] 373it [1:06:19, 10.54s/it] 374it [1:06:30, 10.56s/it] 375it [1:06:41, 10.57s/it] 376it [1:06:51, 10.59s/it] 377it [1:07:02, 10.58s/it] 378it [1:07:12, 10.56s/it] 379it [1:07:23, 10.58s/it] 380it [1:07:33, 10.59s/it] 381it [1:07:44, 10.56s/it] 382it [1:07:55, 10.56s/it] 383it [1:08:05, 10.61s/it] 384it [1:08:16, 10.70s/it] 385it [1:08:27, 10.77s/it] 386it [1:08:38, 10.81s/it] 387it [1:08:49, 10.80s/it] 388it [1:08:59, 10.71s/it] 389it [1:09:10, 10.68s/it] 390it [1:09:21, 10.65s/it] 391it [1:09:31, 10.62s/it] 392it [1:09:42, 10.60s/it] 393it [1:09:52, 10.58s/it] 394it [1:10:03, 10.56s/it] 395it [1:10:13, 10.57s/it] 396it [1:10:24, 10.56s/it] 397it [1:10:34, 10.57s/it] 398it [1:10:45, 10.56s/it] 399it [1:10:55, 10.55s/it] 400it [1:11:06, 10.54s/it] 401it [1:11:16, 10.54s/it] 402it [1:11:27, 10.54s/it] 403it [1:11:38, 10.53s/it] 404it [1:11:48, 10.54s/it] 405it [1:11:59, 10.53s/it] 406it [1:12:09, 10.52s/it] 407it [1:12:20, 10.52s/it] 408it [1:12:30, 10.55s/it] 409it [1:12:41, 10.56s/it] 410it [1:12:51, 10.56s/it] 411it [1:13:02, 10.53s/it] 412it [1:13:12, 10.54s/it] 413it [1:13:23, 10.53s/it] 414it [1:13:33, 10.54s/it] 415it [1:13:44, 10.54s/it] 416it [1:13:55, 10.54s/it] 417it [1:14:05, 10.54s/it] 418it [1:14:16, 10.54s/it] 419it [1:14:26, 10.54s/it] 420it [1:14:37, 10.54s/it] 421it [1:14:47, 10.53s/it] 422it [1:14:58, 10.54s/it] 423it [1:15:08, 10.54s/it] 424it [1:15:19, 10.55s/it] 425it [1:15:29, 10.55s/it] 426it [1:15:40, 10.57s/it] 427it [1:15:51, 10.55s/it] 428it [1:16:01, 10.55s/it] 429it [1:16:12, 10.56s/it] 430it [1:16:22, 10.56s/it] 431it [1:16:33, 10.58s/it] 432it [1:16:43, 10.56s/it] 433it [1:16:54, 10.56s/it] 434it [1:17:05, 10.56s/it] 435it [1:17:15, 10.56s/it] 436it [1:17:26, 10.58s/it] 437it [1:17:36, 10.55s/it] 438it [1:17:47, 10.56s/it] 439it [1:17:57, 10.56s/it] 440it [1:18:08, 10.55s/it] 441it [1:18:18, 10.55s/it] 442it [1:18:29, 10.54s/it] 443it [1:18:40, 10.55s/it] 444it [1:18:50, 10.55s/it] 445it [1:19:01, 10.55s/it] 446it [1:19:11, 10.55s/it] 447it [1:19:22, 10.57s/it] 448it [1:19:32, 10.56s/it] 449it [1:19:43, 10.57s/it] 450it [1:19:53, 10.57s/it] 451it [1:20:04, 10.56s/it] 452it 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[2:32:20, 10.54s/it] 860it [2:32:30, 10.53s/it] 861it [2:32:41, 10.53s/it] 862it [2:32:51, 10.61s/it] 863it [2:33:02, 10.67s/it] 864it [2:33:13, 10.72s/it] 865it [2:33:24, 10.77s/it] 866it [2:33:35, 10.80s/it] 867it [2:33:46, 10.80s/it] 868it [2:33:56, 10.75s/it] 869it [2:34:07, 10.74s/it] 870it [2:34:18, 10.76s/it] 871it [2:34:29, 10.77s/it] 872it [2:34:39, 10.72s/it] 873it [2:34:50, 10.69s/it] 874it [2:35:00, 10.64s/it] 875it [2:35:11, 10.64s/it] 876it [2:35:22, 10.64s/it] 877it [2:35:32, 10.66s/it] 878it [2:35:43, 10.71s/it] 879it [2:35:54, 10.71s/it] 880it [2:36:04, 10.64s/it] 881it [2:36:15, 10.61s/it] 882it [2:36:25, 10.56s/it] 883it [2:36:36, 10.55s/it] 884it [2:36:46, 10.54s/it] 885it [2:36:57, 10.51s/it] 886it [2:37:07, 10.51s/it] 887it [2:37:18, 10.52s/it] 888it [2:37:28, 10.52s/it] 889it [2:37:39, 10.53s/it] 890it [2:37:50, 10.53s/it] 891it [2:38:00, 10.52s/it] 892it [2:38:11, 10.58s/it] 893it [2:38:21, 10.62s/it] 894it [2:38:32, 10.60s/it] 895it [2:38:43, 10.59s/it] 896it [2:38:53, 10.56s/it] 897it [2:39:04, 10.53s/it] 898it [2:39:14, 10.54s/it] 899it [2:39:25, 10.52s/it] 900it [2:39:35, 10.51s/it] 901it [2:39:46, 10.52s/it] 902it [2:39:56, 10.53s/it] 903it [2:40:07, 10.52s/it] 904it [2:40:17, 10.50s/it] 905it [2:40:27, 10.46s/it] 906it [2:40:38, 10.49s/it] 907it [2:40:49, 10.51s/it] 908it [2:40:59, 10.50s/it] 909it [2:41:10, 10.53s/it] 910it [2:41:20, 10.53s/it] 911it [2:41:31, 10.52s/it] 912it [2:41:41, 10.53s/it] 913it [2:41:52, 10.53s/it] 914it [2:42:02, 10.53s/it] 915it [2:42:13, 10.54s/it] 916it [2:42:23, 10.52s/it] 917it [2:42:34, 10.53s/it] 918it [2:42:44, 10.54s/it] 919it [2:42:55, 10.52s/it] 920it [2:43:05, 10.54s/it] 921it [2:43:16, 10.54s/it] 922it [2:43:27, 10.54s/it] 923it [2:43:37, 10.53s/it] 924it [2:43:48, 10.52s/it] 925it [2:43:58, 10.51s/it] 926it [2:44:09, 10.52s/it] 927it [2:44:19, 10.52s/it] 928it [2:44:30, 10.51s/it] 929it [2:44:40, 10.52s/it] 930it [2:44:51, 10.53s/it] 931it [2:45:01, 10.52s/it] 932it [2:45:12, 10.55s/it] 933it [2:45:22, 10.52s/it] 934it [2:45:33, 10.58s/it] 935it [2:45:44, 10.57s/it] 936it [2:45:54, 10.54s/it] 937it [2:46:05, 10.53s/it] 938it [2:46:15, 10.52s/it] 939it [2:46:26, 10.57s/it] 940it [2:46:36, 10.62s/it] 941it [2:46:47, 10.66s/it] 942it [2:46:58, 10.68s/it] 943it [2:47:09, 10.69s/it] 944it [2:47:19, 10.69s/it] 945it [2:47:30, 10.69s/it] 946it [2:47:41, 10.73s/it] 947it [2:47:52, 10.76s/it] 948it [2:48:03, 10.81s/it] 949it [2:48:13, 10.83s/it] 950it [2:48:24, 10.80s/it] 951it [2:48:35, 10.82s/it] 952it [2:48:46, 10.73s/it] 953it [2:48:56, 10.66s/it] 954it [2:49:07, 10.62s/it] 955it [2:49:17, 10.59s/it] 956it [2:49:28, 10.57s/it] 957it [2:49:38, 10.54s/it] 958it [2:49:49, 10.52s/it] 959it [2:49:59, 10.51s/it] 960it [2:50:10, 10.51s/it] 961it [2:50:20, 10.52s/it] 962it [2:50:31, 10.51s/it] 963it [2:50:41, 10.57s/it] 964it [2:50:52, 10.66s/it] 965it [2:51:03, 10.71s/it] 966it [2:51:14, 10.76s/it] 967it [2:51:25, 10.78s/it] 968it [2:51:36, 10.79s/it] 969it [2:51:46, 10.75s/it] 970it [2:51:57, 10.70s/it] 971it [2:52:07, 10.66s/it] 972it [2:52:18, 10.60s/it] 973it [2:52:28, 10.55s/it] 974it [2:52:39, 10.55s/it] 975it [2:52:49, 10.53s/it] 976it [2:53:00, 10.50s/it] 977it [2:53:10, 10.48s/it] 978it [2:53:21, 10.45s/it] 979it [2:53:31, 10.45s/it] 980it [2:53:41, 10.46s/it] 981it [2:53:52, 10.46s/it] 982it [2:54:02, 10.46s/it] 983it [2:54:13, 10.50s/it] 984it [2:54:23, 10.49s/it] 985it [2:54:34, 10.54s/it] 986it [2:54:45, 10.51s/it] 987it [2:54:55, 10.50s/it] 988it [2:55:05, 10.49s/it] 989it [2:55:16, 10.48s/it] 990it [2:55:26, 10.48s/it] 991it [2:55:37, 10.48s/it] 992it [2:55:47, 10.48s/it] 993it [2:55:58, 10.48s/it] 994it [2:56:08, 10.48s/it] 995it [2:56:19, 10.46s/it] 996it [2:56:29, 10.48s/it] 997it [2:56:40, 10.61s/it] 998it [2:56:51, 10.72s/it] 999it [2:57:02, 10.72s/it] 1000it [2:57:12, 10.65s/it] 1000it [2:57:12, 10.63s/it] Error counts: cyclic_id: 0 cyclic_inchikey: 0 cyclic_scaffold: 0 cyclic_mwt: 0 cyclic_clogp: 0 cyclic_tpsa: 0 ⏰ Completed process in 8:23:57.014574 0it [00:00, ?it/s] 1it [00:00, 5.66it/s] 2it [00:00, 7.39it/s] 3it [00:00, 8.25it/s] 4it [00:00, 8.76it/s] 5it [00:00, 9.03it/s] 6it [00:00, 9.23it/s] 7it [00:00, 9.36it/s] 8it [00:00, 9.39it/s] 9it [00:01, 9.43it/s] 10it [00:01, 9.47it/s] 11it [00:01, 9.45it/s] 12it [00:01, 9.50it/s] 13it [00:01, 9.54it/s] 14it [00:01, 9.58it/s] 15it [00:01, 9.59it/s] 16it [00:01, 9.63it/s] 17it [00:01, 9.58it/s] 18it [00:01, 9.60it/s] 19it [00:02, 9.61it/s] 20it [00:02, 9.61it/s] 21it [00:02, 9.56it/s] 22it [00:02, 9.56it/s] 23it [00:02, 9.59it/s] 24it [00:02, 9.54it/s] 25it [00:02, 9.54it/s] 26it [00:02, 9.53it/s] 27it [00:02, 9.53it/s] 28it [00:02, 9.54it/s] 29it [00:03, 9.50it/s] 30it [00:03, 9.51it/s] 31it [00:03, 9.53it/s] 32it [00:03, 9.50it/s] 33it [00:03, 9.51it/s] 34it [00:03, 9.52it/s] 35it [00:03, 9.58it/s] 36it [00:03, 9.56it/s] 37it [00:03, 9.58it/s] 38it [00:04, 9.60it/s] 39it [00:04, 9.61it/s] 40it [00:04, 9.58it/s] 41it [00:04, 9.57it/s] 42it [00:04, 9.56it/s] 43it [00:04, 9.56it/s] 44it [00:04, 9.53it/s] 45it [00:04, 9.54it/s] 46it [00:04, 9.54it/s] 47it [00:04, 9.57it/s] 48it [00:05, 9.54it/s] 49it [00:05, 9.53it/s] 50it [00:05, 9.55it/s] 51it [00:05, 9.56it/s] 52it [00:05, 9.54it/s] 53it [00:05, 9.54it/s] 54it [00:05, 9.55it/s] 55it [00:05, 9.58it/s] 56it [00:05, 9.60it/s] 57it [00:06, 9.56it/s] 58it [00:06, 9.58it/s] 59it [00:06, 9.60it/s] 60it [00:06, 9.59it/s] 61it [00:06, 9.58it/s] 62it [00:06, 9.60it/s] 63it [00:06, 9.63it/s] 64it [00:06, 9.63it/s] 65it [00:06, 9.60it/s] 66it [00:06, 9.56it/s] 67it [00:07, 9.58it/s] 68it [00:07, 9.58it/s] 69it [00:07, 9.53it/s] 70it [00:07, 9.55it/s] 71it [00:07, 9.52it/s] 72it [00:07, 9.52it/s] 73it [00:07, 9.53it/s] 74it [00:07, 9.54it/s] 75it [00:07, 9.50it/s] 76it [00:08, 9.53it/s] 77it [00:08, 9.57it/s] 78it [00:08, 9.52it/s] 79it [00:08, 9.50it/s] 80it [00:08, 9.53it/s] 81it [00:08, 9.58it/s] 82it [00:08, 9.54it/s] 83it [00:08, 9.56it/s] 84it [00:08, 9.57it/s] 85it [00:08, 9.56it/s] 86it [00:09, 9.53it/s] 87it [00:09, 9.56it/s] 88it [00:09, 9.59it/s] 89it [00:09, 9.59it/s] 90it [00:09, 9.54it/s] 91it [00:09, 9.55it/s] 92it [00:09, 9.57it/s] 93it [00:09, 9.58it/s] 94it [00:09, 9.54it/s] 95it [00:10, 9.53it/s] 96it [00:10, 9.54it/s] 97it [00:10, 9.54it/s] 98it [00:10, 9.56it/s] 99it [00:10, 9.52it/s] 100it [00:10, 9.52it/s] 101it [00:10, 9.49it/s] 102it [00:10, 9.50it/s] 103it [00:10, 9.54it/s] 104it [00:10, 9.53it/s] 105it [00:11, 9.54it/s] 106it [00:11, 9.53it/s] 107it [00:11, 9.52it/s] 108it [00:11, 9.52it/s] 109it [00:11, 9.56it/s] 110it [00:11, 9.58it/s] 111it [00:11, 9.54it/s] 112it [00:11, 9.57it/s] 113it [00:11, 9.60it/s] 114it [00:11, 9.63it/s] 115it [00:12, 9.58it/s] 116it [00:12, 9.57it/s] 117it [00:12, 9.55it/s] 118it [00:12, 9.56it/s] 119it [00:12, 9.57it/s] 120it [00:12, 9.57it/s] 121it [00:12, 9.59it/s] 122it [00:12, 9.57it/s] 123it [00:12, 9.54it/s] 124it [00:13, 9.52it/s] 125it [00:13, 9.55it/s] 126it [00:13, 9.52it/s] 127it [00:13, 9.52it/s] 128it [00:13, 9.53it/s] 129it [00:13, 9.51it/s] 130it [00:13, 9.49it/s] 131it [00:13, 9.49it/s] 132it [00:13, 9.54it/s] 133it [00:13, 9.55it/s] 134it [00:14, 9.55it/s] 135it [00:14, 9.51it/s] 136it [00:14, 9.52it/s] 137it [00:14, 9.56it/s] 138it [00:14, 9.52it/s] 139it [00:14, 9.53it/s] 140it [00:14, 9.55it/s] 141it [00:14, 9.56it/s] 142it [00:14, 9.52it/s] 143it [00:15, 9.52it/s] 144it [00:15, 9.54it/s] 145it [00:15, 9.53it/s] 146it [00:15, 9.51it/s] 147it [00:15, 9.55it/s] 148it [00:15, 9.58it/s] 149it [00:15, 9.50it/s] 150it [00:15, 9.50it/s] 151it [00:15, 9.53it/s] 152it [00:15, 9.53it/s] 153it [00:16, 9.53it/s] 154it [00:16, 9.57it/s] 155it [00:16, 9.57it/s] 156it [00:16, 9.56it/s] 157it [00:16, 9.54it/s] 158it [00:16, 9.56it/s] 159it [00:16, 9.57it/s] 160it [00:16, 9.50it/s] 161it [00:16, 9.53it/s] 162it [00:17, 9.55it/s] 163it [00:17, 8.64it/s] 164it [00:17, 8.90it/s] 165it [00:17, 9.10it/s] 166it [00:17, 5.69it/s] 167it [00:18, 3.65it/s] 168it [00:18, 4.48it/s] 169it [00:18, 5.32it/s] 170it [00:18, 6.15it/s] 171it [00:18, 6.89it/s] 172it [00:18, 7.52it/s] 173it [00:18, 8.02it/s] 174it [00:18, 8.45it/s] 175it [00:19, 8.77it/s] 176it [00:19, 8.97it/s] 177it [00:19, 9.13it/s] 178it [00:19, 9.26it/s] 179it [00:19, 9.38it/s] 180it [00:19, 9.43it/s] 181it [00:19, 9.43it/s] 182it [00:20, 3.47it/s] 183it [00:20, 4.30it/s] 184it [00:20, 5.14it/s] 185it [00:20, 5.98it/s] 186it [00:20, 6.72it/s] 187it [00:20, 7.36it/s] 188it [00:21, 7.91it/s] 189it [00:21, 8.34it/s] 190it [00:21, 8.70it/s] 191it [00:21, 8.93it/s] 192it [00:21, 9.07it/s] 193it [00:21, 9.22it/s] 194it [00:21, 9.34it/s] 195it [00:21, 9.36it/s] 196it [00:21, 9.42it/s] 197it [00:21, 9.46it/s] 198it [00:22, 9.48it/s] 199it [00:22, 9.50it/s] 200it [00:22, 9.56it/s] 201it [00:22, 9.52it/s] 202it [00:22, 9.47it/s] 203it [00:22, 9.49it/s] 204it [00:22, 9.48it/s] 205it [00:22, 9.49it/s] 206it [00:22, 9.51it/s] 207it [00:23, 9.48it/s] 208it [00:23, 9.51it/s] 209it [00:23, 9.52it/s] 210it [00:23, 9.50it/s] 211it [00:23, 9.51it/s] 212it [00:23, 9.51it/s] 213it [00:23, 9.52it/s] 214it [00:23, 9.48it/s] 215it [00:23, 9.51it/s] 216it [00:23, 9.55it/s] 217it [00:24, 9.56it/s] 218it [00:24, 9.51it/s] 219it [00:24, 9.52it/s] 220it [00:24, 9.53it/s] 221it [00:24, 9.57it/s] 222it [00:24, 9.55it/s] 223it [00:24, 9.54it/s] 224it [00:24, 9.54it/s] 225it [00:24, 9.56it/s] 226it [00:25, 9.52it/s] 227it [00:25, 9.53it/s] 228it [00:25, 9.55it/s] 229it [00:25, 9.53it/s] 230it [00:25, 9.52it/s] 231it [00:25, 9.51it/s] 232it [00:25, 9.50it/s] 233it [00:25, 9.51it/s] 234it [00:25, 9.52it/s] 235it [00:25, 9.52it/s] 236it [00:26, 9.54it/s] 237it [00:26, 9.51it/s] 238it [00:26, 9.51it/s] 239it [00:26, 9.49it/s] 240it [00:26, 9.50it/s] 241it [00:26, 9.54it/s] 242it [00:26, 9.53it/s] 243it [00:26, 9.56it/s] 244it [00:26, 9.56it/s] 245it [00:27, 9.59it/s] 246it [00:27, 9.57it/s] 247it [00:27, 9.58it/s] 248it [00:27, 9.56it/s] 249it [00:27, 9.57it/s] 250it [00:27, 9.54it/s] 251it [00:27, 9.54it/s] 252it [00:27, 9.57it/s] 253it [00:27, 9.57it/s] 254it [00:27, 9.54it/s] 255it [00:28, 9.55it/s] 256it [00:28, 9.55it/s] 257it [00:28, 9.51it/s] 258it [00:28, 9.52it/s] 259it [00:28, 9.53it/s] 260it [00:28, 9.56it/s] 261it [00:28, 9.53it/s] 262it [00:28, 9.55it/s] 263it [00:28, 9.52it/s] 264it [00:28, 9.54it/s] 265it [00:29, 9.56it/s] 266it [00:29, 9.59it/s] 267it [00:29, 9.54it/s] 268it [00:29, 9.56it/s] 269it [00:29, 9.53it/s] 270it [00:29, 9.56it/s] 271it [00:29, 9.58it/s] 272it [00:29, 9.55it/s] 273it [00:29, 9.58it/s] 274it [00:30, 9.54it/s] 275it [00:30, 9.52it/s] 276it [00:30, 9.57it/s] 277it [00:30, 9.59it/s] 278it [00:30, 9.51it/s] 279it [00:30, 9.52it/s] 280it [00:30, 9.52it/s] 281it [00:30, 9.54it/s] 282it [00:30, 9.56it/s] 283it [00:30, 9.52it/s] 284it [00:31, 9.54it/s] 285it [00:31, 5.67it/s] 286it [00:31, 6.47it/s] 287it [00:31, 7.15it/s] 288it [00:31, 7.72it/s] 289it [00:31, 8.16it/s] 290it [00:31, 8.53it/s] 291it [00:32, 8.83it/s] 292it [00:32, 9.03it/s] 293it [00:32, 9.16it/s] 294it [00:32, 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[01:46, 9.53it/s] 1000it [01:46, 9.39it/s] Split counts: train: 674000 test: 164000 validation: 162000 ⏰ Completed process in 8:25:44.770252 ++ date + echo 'Sat 2 Nov 00:26:35 GMT 2024 :: 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-42000000-43000000.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-42000000-43000000.csv.gz + split_dir=20241101_peptides_6-12x100M/train ++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-42000000-43000000.csv.gz .csv.gz + split_file=20241101_peptides_6-12x100M/train/peptides_length-10_n-100000000_slice-42000000-43000000.csv.gz + mkdir -p 20241101_peptides_6-12x100M/train ++ date + echo 'Sat 2 Nov 00:26:35 GMT 2024 :: Saving train...' Sat 2 Nov 00:26:35 GMT 2024 :: Saving train... + zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-42000000-43000000.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-42000000-43000000.csv.gz' + for split in train test validation ++ dirname 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-42000000-43000000.csv.gz + split_dir=20241101_peptides_6-12x100M/test ++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-42000000-43000000.csv.gz .csv.gz + split_file=20241101_peptides_6-12x100M/test/peptides_length-10_n-100000000_slice-42000000-43000000.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-42000000-43000000.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-42000000-43000000.csv.gz' + for split in train test validation ++ dirname 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-42000000-43000000.csv.gz + split_dir=20241101_peptides_6-12x100M/validation ++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-42000000-43000000.csv.gz .csv.gz + split_file=20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-42000000-43000000.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-42000000-43000000.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 00:28:23 GMT 2024 :: 20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-42000000-43000000.csv.gz' + '[' -e 20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-42000000-43000000.csv.gz.success ']' + rm 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-42000000-43000000.csv.gz 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-42000000-43000000.csv.gz.success + set +x Sat 2 Nov 00:28:23 GMT 2024 > Peptide generation complete