Fri 1 Nov 15:55:06 GMT 2024 > Generating peptides on cn049 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 15:55:06 GMT 2024 > Running /camp/apps/eb/software/Anaconda3/2023.03/bin/python : Python 3.10.10 Fri 1 Nov 15:55:06 GMT 2024 > Using Conda from . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Fri 1 Nov 15:55:06 GMT 2024 > Seed = 1; length = 10; max. number = 100000000; slice = 10000000 to 11000000; output dir. = 20241101_peptides_6-12x100M Fri 1 Nov 15:55:06 GMT 2024 > There are 10240000000000 peptides of length 10; generating 100000000 (0.000976563 %) Fri 1 Nov 15:55:06 GMT 2024 > Saving a slice to 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-10000000-11000000.csv.gz... + schemist enumerate --seed 1 --max-length 10 --prefix GY --suffix CGSGSGS --number 9.76563e-06 --slice 10000000 11000000 + schemist convert --column cysteine_to_N_cyclization --to id inchikey scaffold mwt clogp tpsa --prefix cyclic_ --options prefix=SCB- + tr ' ' , + schemist react --column SMILES --reaction cysteine_to_N_cyclization + schemist split --type random --train 0.7 --test 0.15 --column cysteine_to_N_cyclization --seed 1 + gzip --best + schemist convert --column SMILES --to id inchikey scaffold mwt clogp tpsa --prefix linear_ --options prefix=SCB- 🚀 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: cysteine_to_N_cyclization prefix: cyclic_ 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: ['10000000', '11000000'] 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. 🚀 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: 🚀 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: 0it [00:00, ?it/s] 1it [00:18, 18.14s/it] 2it [00:19, 8.21s/it] 3it [00:20, 5.15s/it] 4it [00:22, 3.64s/it] 5it [00:23, 2.79s/it] 6it [00:24, 2.26s/it] 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[16:39, 1.12s/it] 842it [16:40, 1.10s/it] 843it [16:41, 1.10s/it] 844it [16:42, 1.11s/it] 845it [16:43, 1.11s/it] 846it [16:44, 1.11s/it] 847it [16:45, 1.11s/it] 848it [16:46, 1.10s/it] 849it [16:47, 1.09s/it] 850it [16:49, 1.10s/it] 851it [16:50, 1.10s/it] 852it [16:51, 1.11s/it] 853it [16:52, 1.11s/it] 854it [16:53, 1.11s/it] 855it [16:54, 1.11s/it] 856it [16:55, 1.10s/it] 857it [16:56, 1.08s/it] 858it [16:57, 1.10s/it] 859it [16:58, 1.11s/it] 860it [17:00, 1.12s/it] 861it [17:01, 1.12s/it] 862it [17:02, 1.12s/it] 863it [17:03, 1.11s/it] 864it [17:04, 1.12s/it] 865it [17:05, 1.12s/it] 866it [17:06, 1.12s/it] 867it [17:07, 1.13s/it] 868it [17:09, 1.14s/it] 869it [17:10, 1.15s/it] 870it [17:11, 1.15s/it] 871it [17:12, 1.13s/it] 872it [17:13, 1.13s/it] 873it [17:14, 1.14s/it] 874it [17:15, 1.14s/it] 875it [17:17, 1.14s/it] 876it [17:18, 1.14s/it] 877it [17:19, 1.14s/it] 878it [17:20, 1.13s/it] 879it [17:21, 1.13s/it] 880it [17:22, 1.12s/it] 881it [17:23, 1.13s/it] 882it [17:25, 1.14s/it] 883it [17:26, 1.14s/it] 884it [17:27, 1.14s/it] 885it [17:28, 1.14s/it] 886it [17:29, 1.13s/it] 887it [17:30, 1.13s/it] 888it [17:31, 1.14s/it] 889it [17:33, 1.13s/it] 890it [17:34, 1.13s/it] 891it [17:35, 1.14s/it] 892it [17:36, 1.14s/it] 893it [17:37, 1.14s/it] 894it [17:38, 1.13s/it] 895it [17:39, 1.13s/it] 896it [17:40, 1.13s/it] 897it [17:42, 1.14s/it] 898it [17:43, 1.13s/it] 899it [17:44, 1.11s/it] 900it [17:45, 1.12s/it] 901it [17:46, 1.13s/it] 902it [17:47, 1.14s/it] 903it [17:48, 1.15s/it] 904it [17:49, 1.13s/it] 905it [17:51, 1.12s/it] 906it [17:52, 1.12s/it] 907it [17:53, 1.12s/it] 908it [17:54, 1.12s/it] 909it [17:55, 1.12s/it] 910it [17:56, 1.11s/it] 911it [17:57, 1.12s/it] 912it [17:58, 1.11s/it] 913it [18:00, 1.11s/it] 914it [18:01, 1.11s/it] 915it [18:02, 1.11s/it] 916it [18:03, 1.11s/it] 917it [18:04, 1.11s/it] 918it [18:05, 1.12s/it] 919it [18:06, 1.13s/it] 920it [18:07, 1.13s/it] 921it [18:09, 1.14s/it] 922it [18:10, 1.13s/it] 923it [18:11, 1.14s/it] 924it [18:12, 1.11s/it] 925it [18:13, 1.11s/it] 926it [18:14, 1.11s/it] 927it [18:15, 1.11s/it] 928it [18:16, 1.10s/it] 929it [18:17, 1.10s/it] 930it [18:19, 1.11s/it] 931it [18:20, 1.12s/it] 932it [18:21, 1.13s/it] 933it [18:22, 1.14s/it] 934it [18:23, 1.12s/it] 935it [18:24, 1.13s/it] 936it [18:25, 1.14s/it] 937it [18:27, 1.14s/it] 938it [18:28, 1.15s/it] 939it [18:29, 1.15s/it] 940it [18:30, 1.15s/it] 941it [18:31, 1.15s/it] 942it [18:32, 1.15s/it] 943it [18:33, 1.15s/it] 944it [18:35, 1.14s/it] 945it [18:36, 1.15s/it] 946it [18:37, 1.14s/it] 947it [18:38, 1.14s/it] 948it [18:39, 1.14s/it] 949it [18:40, 1.14s/it] 950it [18:41, 1.14s/it] 951it [18:43, 1.14s/it] 952it [18:44, 1.13s/it] 953it [18:45, 1.14s/it] 954it [18:46, 1.14s/it] 955it [18:47, 1.15s/it] 956it [18:48, 1.13s/it] 957it [18:49, 1.13s/it] 958it [18:50, 1.13s/it] 959it [18:52, 1.13s/it] 960it [18:53, 1.14s/it] 961it [18:54, 1.14s/it] 962it [18:55, 1.14s/it] 963it [18:56, 1.14s/it] 964it [18:57, 1.14s/it] 965it [18:58, 1.14s/it] 966it [19:00, 1.14s/it] 967it [19:01, 1.14s/it] 968it [19:02, 1.13s/it] 969it [19:03, 1.13s/it] 970it [19:04, 1.13s/it] 971it [19:05, 1.11s/it] 972it [19:06, 1.11s/it] 973it [19:07, 1.11s/it] 974it [19:08, 1.10s/it] 975it [19:10, 1.10s/it] 976it [19:11, 1.10s/it] 977it [19:12, 1.11s/it] 978it [19:13, 1.11s/it] 979it [19:14, 1.10s/it] 980it [19:15, 1.09s/it] 981it [19:16, 1.10s/it] 982it [19:17, 1.10s/it] 983it [19:18, 1.11s/it] 984it [19:20, 1.11s/it] 985it [19:21, 1.11s/it] 986it [19:22, 1.10s/it] 987it [19:23, 1.11s/it] 988it [19:24, 1.10s/it] 989it [19:25, 1.10s/it] 990it [19:26, 1.11s/it] 991it [19:27, 1.09s/it] 992it [19:28, 1.10s/it] 993it [19:29, 1.11s/it] 994it [19:31, 1.10s/it] 995it [19:32, 1.11s/it] 996it [19:33, 1.05s/it] 997it [19:34, 1.08s/it] 998it [19:35, 1.04s/it] 999it [19:36, 1.03s/it] 1000it [19:37, 1.05s/it] 1000it [19:37, 1.18s/it] Enumerated peptides: Number of peptides: 1000000 Conversion errors: SMILES: 0 ⏰ Completed process in 0:19:37.651857 0it [00:00, ?it/s] 1it [00:18, 18.20s/it] 2it [00:28, 13.44s/it] 3it [00:38, 12.01s/it] 4it [00:48, 11.27s/it] 5it [00:58, 10.90s/it] 6it [01:09, 10.66s/it] 7it [01:19, 10.49s/it] 8it [01:29, 10.42s/it] 9it [01:39, 10.36s/it] 10it [01:49, 10.27s/it] 11it [02:00, 10.24s/it] 12it [02:10, 10.24s/it] 13it [02:20, 10.21s/it] 14it [02:30, 10.21s/it] 15it [02:40, 10.21s/it] 16it [02:51, 10.22s/it] 17it [03:01, 10.30s/it] 18it [03:12, 10.41s/it] 19it [03:23, 10.51s/it] 20it [03:33, 10.56s/it] 21it [03:44, 10.61s/it] 22it [03:54, 10.59s/it] 23it [04:05, 10.56s/it] 24it [04:16, 10.56s/it] 25it [04:26, 10.58s/it] 26it [04:37, 10.62s/it] 27it [04:48, 10.64s/it] 28it [04:58, 10.62s/it] 29it [05:09, 10.59s/it] 30it [05:19, 10.53s/it] 31it [05:30, 10.55s/it] 32it [05:40, 10.56s/it] 33it [05:51, 10.58s/it] 34it [06:01, 10.60s/it] 35it [06:12, 10.59s/it] 36it [06:22, 10.53s/it] 37it [06:33, 10.50s/it] 38it [06:43, 10.53s/it] 39it [06:54, 10.54s/it] 40it [07:05, 10.55s/it] 41it [07:15, 10.55s/it] 42it [07:26, 10.55s/it] 43it [07:36, 10.53s/it] 44it [07:47, 10.50s/it] 45it [07:57, 10.52s/it] 46it [08:08, 10.57s/it] 47it [08:18, 10.58s/it] 48it [08:29, 10.62s/it] 49it [08:40, 10.63s/it] 50it [08:50, 10.55s/it] 51it [09:01, 10.50s/it] 52it [09:11, 10.51s/it] 53it [09:22, 10.56s/it] 54it [09:32, 10.60s/it] 55it [09:43, 10.62s/it] 56it [09:54, 10.60s/it] 57it [10:04, 10.52s/it] 58it [10:14, 10.49s/it] 59it [10:25, 10.46s/it] 60it [10:35, 10.46s/it] 61it [10:46, 10.48s/it] 62it [10:56, 10.52s/it] 63it [11:07, 10.54s/it] 64it [11:18, 10.55s/it] 65it [11:28, 10.58s/it] 66it [11:39, 10.52s/it] 67it [11:49, 10.44s/it] 68it [11:59, 10.47s/it] 69it [12:10, 10.50s/it] 70it [12:21, 10.53s/it] 71it [12:31, 10.53s/it] 72it [12:42, 10.51s/it] 73it [12:52, 10.46s/it] 74it [13:02, 10.44s/it] 75it [13:13, 10.45s/it] 76it [13:23, 10.47s/it] 77it [13:34, 10.48s/it] 78it [13:44, 10.50s/it] 79it [13:55, 10.51s/it] 80it [14:05, 10.51s/it] 81it [14:16, 10.51s/it] 82it [14:26, 10.46s/it] 83it [14:37, 10.43s/it] 84it [14:47, 10.41s/it] 85it [14:57, 10.43s/it] 86it [15:08, 10.44s/it] 87it [15:18, 10.44s/it] 88it [15:29, 10.45s/it] 89it [15:39, 10.44s/it] 90it [15:50, 10.42s/it] 91it [16:00, 10.41s/it] 92it [16:10, 10.38s/it] 93it [16:21, 10.39s/it] 94it [16:31, 10.35s/it] 95it [16:41, 10.35s/it] 96it [16:52, 10.39s/it] 97it [17:02, 10.39s/it] 98it [17:13, 10.43s/it] 99it [17:23, 10.45s/it] 100it [17:34, 10.45s/it] 101it [17:44, 10.47s/it] 102it [17:55, 10.44s/it] 103it [18:05, 10.43s/it] 104it [18:15, 10.40s/it] 105it [18:26, 10.40s/it] 106it [18:36, 10.40s/it] 107it [18:47, 10.42s/it] 108it [18:57, 10.45s/it] 109it [19:08, 10.47s/it] 110it [19:18, 10.47s/it] 111it [19:29, 10.48s/it] 112it [19:39, 10.46s/it] 113it [19:49, 10.40s/it] 114it [20:00, 10.37s/it] 115it [20:10, 10.37s/it] 116it [20:20, 10.37s/it] 117it [20:31, 10.40s/it] 118it [20:41, 10.43s/it] 119it [20:52, 10.42s/it] 120it [21:02, 10.44s/it] 121it [21:13, 10.45s/it] 122it [21:23, 10.46s/it] 123it [21:34, 10.46s/it] 124it [21:44, 10.43s/it] 125it [21:54, 10.41s/it] 126it [22:05, 10.40s/it] 127it [22:15, 10.40s/it] 128it [22:26, 10.44s/it] 129it [22:36, 10.50s/it] 130it [22:47, 10.49s/it] 131it [22:57, 10.49s/it] 132it [23:08, 10.44s/it] 133it [23:18, 10.41s/it] 134it [23:28, 10.44s/it] 135it [23:39, 10.50s/it] 136it [23:50, 10.54s/it] 137it [24:00, 10.56s/it] 138it [24:11, 10.53s/it] 139it [24:21, 10.51s/it] 140it [24:32, 10.47s/it] 141it [24:42, 10.46s/it] 142it [24:52, 10.44s/it] 143it [25:03, 10.48s/it] 144it [25:14, 10.54s/it] 145it [25:24, 10.54s/it] 146it [25:35, 10.49s/it] 147it [25:45, 10.46s/it] 148it [25:55, 10.44s/it] 149it [26:06, 10.47s/it] 150it [26:16, 10.49s/it] 151it [26:27, 10.49s/it] 152it [26:38, 10.56s/it] 153it [26:48, 10.50s/it] 154it [26:58, 10.49s/it] 155it [27:09, 10.45s/it] 156it [27:19, 10.50s/it] 157it [27:30, 10.50s/it] 158it [27:40, 10.52s/it] 159it [27:51, 10.52s/it] 160it [28:01, 10.49s/it] 161it [28:12, 10.46s/it] 162it [28:22, 10.45s/it] 163it [28:33, 10.50s/it] 164it [28:43, 10.52s/it] 165it [28:54, 10.57s/it] 166it [29:05, 10.59s/it] 167it [29:15, 10.54s/it] 168it [29:25, 10.48s/it] 169it [29:36, 10.47s/it] 170it [29:46, 10.48s/it] 171it [29:57, 10.52s/it] 172it [30:08, 10.53s/it] 173it [30:18, 10.53s/it] 174it [30:29, 10.52s/it] 175it [30:39, 10.48s/it] 176it [30:49, 10.44s/it] 177it [31:00, 10.46s/it] 178it [31:10, 10.48s/it] 179it [31:21, 10.50s/it] 180it [31:31, 10.50s/it] 181it [31:42, 10.50s/it] 182it [31:52, 10.43s/it] 183it [32:03, 10.41s/it] 184it [32:13, 10.46s/it] 185it [32:24, 10.48s/it] 186it [32:34, 10.51s/it] 187it [32:45, 10.51s/it] 188it [32:55, 10.48s/it] 189it [33:06, 10.44s/it] 190it [33:16, 10.40s/it] 191it [33:26, 10.45s/it] 192it [33:37, 10.49s/it] 193it [33:48, 10.52s/it] 194it [33:58, 10.52s/it] 195it [34:09, 10.52s/it] 196it [34:19, 10.48s/it] 197it [34:29, 10.43s/it] 198it [34:40, 10.41s/it] 199it [34:50, 10.49s/it] 200it [35:01, 10.50s/it] 201it [35:11, 10.51s/it] 202it [35:22, 10.52s/it] 203it [35:32, 10.46s/it] 204it [35:43, 10.42s/it] 205it [35:53, 10.42s/it] 206it [36:04, 10.47s/it] 207it [36:14, 10.51s/it] 208it [36:25, 10.55s/it] 209it [36:35, 10.55s/it] 210it [36:46, 10.49s/it] 211it [36:56, 10.45s/it] 212it [37:07, 10.45s/it] 213it [37:17, 10.49s/it] 214it [37:28, 10.52s/it] 215it [37:38, 10.51s/it] 216it [37:49, 10.54s/it] 217it [37:59, 10.49s/it] 218it [38:10, 10.44s/it] 219it [38:20, 10.46s/it] 220it [38:31, 10.47s/it] 221it [38:41, 10.48s/it] 222it [38:52, 10.53s/it] 223it [39:02, 10.54s/it] 224it [39:13, 10.46s/it] 225it [39:23, 10.41s/it] 226it [39:33, 10.47s/it] 227it [39:44, 10.52s/it] 228it [39:55, 10.55s/it] 229it [40:05, 10.58s/it] 230it [40:16, 10.54s/it] 231it [40:26, 10.47s/it] 232it [40:36, 10.45s/it] 233it [40:47, 10.50s/it] 234it [40:58, 10.53s/it] 235it [41:08, 10.52s/it] 236it [41:19, 10.53s/it] 237it [41:29, 10.49s/it] 238it [41:40, 10.46s/it] 239it [41:50, 10.43s/it] 240it [42:01, 10.49s/it] 241it [42:11, 10.52s/it] 242it [42:22, 10.54s/it] 243it [42:32, 10.56s/it] 244it [42:43, 10.51s/it] 245it [42:53, 10.45s/it] 246it [43:03, 10.42s/it] 247it [43:14, 10.44s/it] 248it [43:24, 10.49s/it] 249it [43:35, 10.48s/it] 250it [43:45, 10.50s/it] 251it [43:56, 10.46s/it] 252it [44:06, 10.42s/it] 253it [44:17, 10.44s/it] 254it [44:27, 10.46s/it] 255it [44:38, 10.45s/it] 256it [44:48, 10.47s/it] 257it [44:59, 10.49s/it] 258it [45:09, 10.44s/it] 259it [45:19, 10.42s/it] 260it [45:30, 10.39s/it] 261it [45:40, 10.44s/it] 262it [45:51, 10.48s/it] 263it [46:01, 10.50s/it] 264it [46:12, 10.53s/it] 265it [46:22, 10.50s/it] 266it [46:33, 10.44s/it] 267it [46:43, 10.44s/it] 268it [46:54, 10.46s/it] 269it [47:04, 10.48s/it] 270it [47:15, 10.50s/it] 271it [47:25, 10.50s/it] 272it [47:36, 10.47s/it] 273it [47:46, 10.42s/it] 274it [47:56, 10.39s/it] 275it [48:07, 10.42s/it] 276it [48:17, 10.45s/it] 277it [48:28, 10.45s/it] 278it [48:38, 10.45s/it] 279it [48:49, 10.45s/it] 280it [48:59, 10.42s/it] 281it [49:09, 10.39s/it] 282it [49:20, 10.44s/it] 283it [49:30, 10.48s/it] 284it [49:41, 10.50s/it] 285it [49:51, 10.51s/it] 286it [50:02, 10.50s/it] 287it [50:12, 10.45s/it] 288it [50:22, 10.38s/it] 289it [50:33, 10.41s/it] 290it [50:44, 10.49s/it] 291it [50:54, 10.52s/it] 292it [51:05, 10.53s/it] 293it [51:15, 10.50s/it] 294it [51:26, 10.45s/it] 295it [51:36, 10.40s/it] 296it [51:46, 10.43s/it] 297it [51:57, 10.46s/it] 298it [52:07, 10.43s/it] 299it [52:17, 10.39s/it] 300it [52:28, 10.37s/it] 301it [52:38, 10.37s/it] 302it [52:48, 10.35s/it] 303it [52:59, 10.33s/it] 304it [53:09, 10.32s/it] 305it [53:19, 10.32s/it] 306it [53:30, 10.31s/it] 307it [53:40, 10.32s/it] 308it [53:50, 10.31s/it] 309it [54:01, 10.31s/it] 310it [54:11, 10.31s/it] 311it [54:21, 10.30s/it] 312it [54:31, 10.30s/it] 313it [54:42, 10.28s/it] 314it [54:52, 10.29s/it] 315it [55:02, 10.29s/it] 316it [55:13, 10.29s/it] 317it [55:23, 10.30s/it] 318it [55:33, 10.30s/it] 319it [55:43, 10.28s/it] 320it [55:54, 10.28s/it] 321it [56:04, 10.30s/it] 322it [56:14, 10.30s/it] 323it [56:25, 10.30s/it] 324it 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10.04s/it] 807it [2:19:20, 10.03s/it] 808it [2:19:31, 10.03s/it] 809it [2:19:41, 10.04s/it] 810it [2:19:51, 10.04s/it] 811it [2:20:01, 10.03s/it] 812it [2:20:11, 10.01s/it] 813it [2:20:21, 10.04s/it] 814it [2:20:31, 10.05s/it] 815it [2:20:41, 10.05s/it] 816it [2:20:51, 10.04s/it] 817it [2:21:01, 10.02s/it] 818it [2:21:11, 10.03s/it] 819it [2:21:21, 10.03s/it] 820it [2:21:31, 10.03s/it] 821it [2:21:41, 10.04s/it] 822it [2:21:51, 10.04s/it] 823it [2:22:01, 10.04s/it] 824it [2:22:11, 10.03s/it] 825it [2:22:21, 10.02s/it] 826it [2:22:31, 10.03s/it] 827it [2:22:41, 10.02s/it] 828it [2:22:51, 10.03s/it] 829it [2:23:01, 10.04s/it] 830it [2:23:11, 10.02s/it] 831it [2:23:21, 10.01s/it] 832it [2:23:31, 10.01s/it] 833it [2:23:41, 10.00s/it] 834it [2:23:51, 10.03s/it] 835it [2:24:01, 10.02s/it] 836it [2:24:11, 10.04s/it] 837it [2:24:21, 10.03s/it] 838it [2:24:31, 10.04s/it] 839it [2:24:41, 10.04s/it] 840it [2:24:52, 10.05s/it] 841it [2:25:02, 10.06s/it] 842it [2:25:12, 10.05s/it] 843it [2:25:22, 10.04s/it] 844it [2:25:32, 10.04s/it] 845it [2:25:42, 10.03s/it] 846it [2:25:52, 10.04s/it] 847it [2:26:02, 10.06s/it] 848it [2:26:12, 10.04s/it] 849it [2:26:22, 10.04s/it] 850it [2:26:32, 10.03s/it] 851it [2:26:42, 10.03s/it] 852it [2:26:52, 10.05s/it] 853it [2:27:02, 10.07s/it] 854it [2:27:12, 10.07s/it] 855it [2:27:22, 10.05s/it] 856it [2:27:32, 10.04s/it] 857it [2:27:42, 10.04s/it] 858it [2:27:52, 10.04s/it] 859it [2:28:02, 10.04s/it] 860it [2:28:12, 10.05s/it] 861it [2:28:22, 10.03s/it] 862it [2:28:33, 10.04s/it] 863it [2:28:43, 10.05s/it] 864it [2:28:53, 10.05s/it] 865it [2:29:03, 10.05s/it] 866it [2:29:13, 10.04s/it] 867it [2:29:23, 10.03s/it] 868it [2:29:33, 10.03s/it] 869it [2:29:43, 10.04s/it] 870it [2:29:53, 10.03s/it] 871it [2:30:03, 10.03s/it] 872it [2:30:13, 10.01s/it] 873it [2:30:23, 10.02s/it] 874it [2:30:33, 10.01s/it] 875it [2:30:43, 10.03s/it] 876it [2:30:53, 10.03s/it] 877it [2:31:03, 10.01s/it] 878it [2:31:13, 10.02s/it] 879it [2:31:23, 10.00s/it] 880it [2:31:33, 10.01s/it] 881it [2:31:43, 10.02s/it] 882it [2:31:53, 10.03s/it] 883it [2:32:03, 10.03s/it] 884it [2:32:13, 10.02s/it] 885it [2:32:23, 10.02s/it] 886it [2:32:33, 10.02s/it] 887it [2:32:43, 10.01s/it] 888it [2:32:53, 10.02s/it] 889it [2:33:03, 10.04s/it] 890it [2:33:13, 10.04s/it] 891it [2:33:23, 10.06s/it] 892it [2:33:33, 10.06s/it] 893it [2:33:43, 10.05s/it] 894it [2:33:54, 10.06s/it] 895it [2:34:04, 10.04s/it] 896it [2:34:14, 10.04s/it] 897it [2:34:24, 10.06s/it] 898it [2:34:34, 10.06s/it] 899it [2:34:44, 10.06s/it] 900it [2:34:54, 10.06s/it] 901it [2:35:04, 10.05s/it] 902it [2:35:14, 10.05s/it] 903it [2:35:24, 10.04s/it] 904it [2:35:34, 10.04s/it] 905it [2:35:44, 10.03s/it] 906it [2:35:54, 10.06s/it] 907it [2:36:04, 10.04s/it] 908it [2:36:14, 10.06s/it] 909it [2:36:24, 10.06s/it] 910it [2:36:34, 10.05s/it] 911it [2:36:44, 10.08s/it] 912it [2:36:55, 10.08s/it] 913it [2:37:05, 10.06s/it] 914it [2:37:15, 10.05s/it] 915it [2:37:25, 10.05s/it] 916it [2:37:35, 10.05s/it] 917it [2:37:45, 10.05s/it] 918it [2:37:55, 10.03s/it] 919it [2:38:05, 10.04s/it] 920it [2:38:15, 10.04s/it] 921it [2:38:25, 10.04s/it] 922it [2:38:35, 10.05s/it] 923it [2:38:45, 10.05s/it] 924it [2:38:55, 10.03s/it] 925it [2:39:05, 10.04s/it] 926it [2:39:15, 10.04s/it] 927it [2:39:25, 10.05s/it] 928it [2:39:35, 10.04s/it] 929it [2:39:45, 10.03s/it] 930it [2:39:55, 10.04s/it] 931it [2:40:05, 10.04s/it] 932it [2:40:15, 10.04s/it] 933it [2:40:25, 10.03s/it] 934it [2:40:35, 10.04s/it] 935it [2:40:45, 10.03s/it] 936it [2:40:55, 10.03s/it] 937it [2:41:05, 10.02s/it] 938it [2:41:15, 10.03s/it] 939it [2:41:25, 10.03s/it] 940it [2:41:35, 10.02s/it] 941it [2:41:46, 10.03s/it] 942it [2:41:56, 10.03s/it] 943it [2:42:06, 10.04s/it] 944it [2:42:16, 10.03s/it] 945it [2:42:26, 10.04s/it] 946it [2:42:36, 10.04s/it] 947it [2:42:46, 10.03s/it] 948it [2:42:56, 10.03s/it] 949it [2:43:06, 10.04s/it] 950it [2:43:16, 10.04s/it] 951it [2:43:26, 10.04s/it] 952it [2:43:36, 10.02s/it] 953it [2:43:46, 10.05s/it] 954it [2:43:56, 10.05s/it] 955it [2:44:06, 10.08s/it] 956it [2:44:16, 10.06s/it] 957it [2:44:26, 10.05s/it] 958it [2:44:36, 10.05s/it] 959it [2:44:46, 10.03s/it] 960it [2:44:56, 10.02s/it] 961it [2:45:06, 10.02s/it] 962it [2:45:16, 10.02s/it] 963it [2:45:26, 10.04s/it] 964it [2:45:36, 10.04s/it] 965it [2:45:46, 10.03s/it] 966it [2:45:56, 10.02s/it] 967it [2:46:06, 10.01s/it] 968it [2:46:16, 10.03s/it] 969it [2:46:27, 10.04s/it] 970it [2:46:37, 10.03s/it] 971it [2:46:47, 10.04s/it] 972it [2:46:57, 10.04s/it] 973it [2:47:07, 10.05s/it] 974it [2:47:17, 10.04s/it] 975it [2:47:27, 10.04s/it] 976it [2:47:37, 10.04s/it] 977it [2:47:47, 10.03s/it] 978it [2:47:57, 10.03s/it] 979it [2:48:07, 10.05s/it] 980it [2:48:17, 10.04s/it] 981it [2:48:27, 10.07s/it] 982it [2:48:37, 10.05s/it] 983it [2:48:47, 10.04s/it] 984it [2:48:57, 10.05s/it] 985it [2:49:07, 10.05s/it] 986it [2:49:17, 10.05s/it] 987it [2:49:27, 10.09s/it] 988it [2:49:38, 10.09s/it] 989it [2:49:48, 10.07s/it] 990it [2:49:58, 10.05s/it] 991it [2:50:08, 10.05s/it] 992it [2:50:18, 10.06s/it] 993it [2:50:28, 10.04s/it] 994it [2:50:38, 10.07s/it] 995it [2:50:48, 10.06s/it] 996it [2:50:58, 10.05s/it] 997it [2:51:08, 10.06s/it] 998it [2:51:18, 10.05s/it] 999it [2:51:28, 10.06s/it] 1000it [2:51:38, 10.06s/it] 1000it [2:51:38, 10.30s/it] Error counts: linear_id: 0 linear_inchikey: 0 linear_scaffold: 0 linear_mwt: 0 linear_clogp: 0 linear_tpsa: 0 ⏰ Completed process in 3:11:31.941720 0it [00:00, ?it/s] 1it [00:08, 8.24s/it] 2it [00:16, 8.20s/it] 3it [00:24, 8.20s/it] 4it [00:32, 8.20s/it] 5it [00:41, 8.21s/it] 6it [00:49, 8.20s/it] 7it [00:57, 8.19s/it] 8it [01:05, 8.21s/it] 9it [01:13, 8.21s/it] 10it [01:22, 8.23s/it] 11it [01:30, 8.24s/it] 12it [01:38, 8.24s/it] 13it [01:46, 8.24s/it] 14it [01:55, 8.23s/it] 15it [02:03, 8.24s/it] 16it [02:11, 8.22s/it] 17it [02:19, 8.22s/it] 18it [02:27, 8.22s/it] 19it [02:36, 8.20s/it] 20it [02:44, 8.21s/it] 21it [02:52, 8.19s/it] 22it [03:00, 8.21s/it] 23it [03:08, 8.19s/it] 24it [03:17, 8.22s/it] 25it [03:25, 8.21s/it] 26it [03:33, 8.22s/it] 27it [03:41, 8.22s/it] 28it [03:50, 8.23s/it] 29it [03:58, 8.23s/it] 30it [04:06, 8.24s/it] 31it [04:14, 8.25s/it] 32it [04:23, 8.23s/it] 33it [04:31, 8.22s/it] 34it [04:39, 8.23s/it] 35it [04:47, 8.23s/it] 36it [04:55, 8.21s/it] 37it [05:04, 8.24s/it] 38it [05:12, 8.27s/it] 39it [05:20, 8.25s/it] 40it [05:28, 8.25s/it] 41it [05:37, 8.32s/it] 42it [05:45, 8.30s/it] 43it [05:53, 8.29s/it] 44it [06:02, 8.27s/it] 45it [06:10, 8.26s/it] 46it [06:18, 8.25s/it] 47it [06:26, 8.23s/it] 48it [06:35, 8.22s/it] 49it [06:43, 8.22s/it] 50it [06:51, 8.20s/it] 51it [06:59, 8.18s/it] 52it [07:07, 8.19s/it] 53it [07:15, 8.20s/it] 54it [07:24, 8.19s/it] 55it [07:32, 8.18s/it] 56it [07:40, 8.20s/it] 57it [07:48, 8.18s/it] 58it [07:56, 8.19s/it] 59it [08:05, 8.19s/it] 60it [08:13, 8.19s/it] 61it [08:21, 8.19s/it] 62it [08:29, 8.21s/it] 63it [08:37, 8.22s/it] 64it [08:46, 8.19s/it] 65it [08:54, 8.18s/it] 66it [09:02, 8.20s/it] 67it [09:10, 8.19s/it] 68it [09:18, 8.21s/it] 69it [09:27, 8.22s/it] 70it [09:35, 8.20s/it] 71it [09:43, 8.20s/it] 72it [09:51, 8.22s/it] 73it [09:59, 8.19s/it] 74it [10:08, 8.20s/it] 75it [10:16, 8.21s/it] 76it [10:24, 8.20s/it] 77it [10:32, 8.21s/it] 78it [10:40, 8.21s/it] 79it [10:49, 8.21s/it] 80it [10:57, 8.21s/it] 81it [11:05, 8.22s/it] 82it [11:13, 8.19s/it] 83it [11:21, 8.19s/it] 84it [11:30, 8.18s/it] 85it [11:38, 8.19s/it] 86it [11:46, 8.19s/it] 87it [11:54, 8.18s/it] 88it [12:02, 8.19s/it] 89it [12:11, 8.19s/it] 90it [12:19, 8.16s/it] 91it [12:27, 8.17s/it] 92it [12:35, 8.18s/it] 93it [12:43, 8.18s/it] 94it [12:51, 8.17s/it] 95it [13:00, 8.16s/it] 96it [13:08, 8.16s/it] 97it [13:16, 8.15s/it] 98it [13:24, 8.16s/it] 99it [13:32, 8.17s/it] 100it [13:40, 8.16s/it] 101it [13:49, 8.18s/it] 102it [13:57, 8.16s/it] 103it [14:05, 8.17s/it] 104it [14:13, 8.18s/it] 105it [14:21, 8.18s/it] 106it [14:29, 8.18s/it] 107it [14:38, 8.18s/it] 108it [14:46, 8.18s/it] 109it [14:54, 8.19s/it] 110it [15:02, 8.18s/it] 111it [15:10, 8.18s/it] 112it [15:18, 8.18s/it] 113it [15:27, 8.16s/it] 114it [15:35, 8.16s/it] 115it [15:43, 8.18s/it] 116it [15:51, 8.19s/it] 117it [15:59, 8.19s/it] 118it [16:08, 8.19s/it] 119it [16:16, 8.18s/it] 120it [16:24, 8.18s/it] 121it [16:32, 8.18s/it] 122it [16:40, 8.19s/it] 123it [16:48, 8.19s/it] 124it [16:57, 8.20s/it] 125it [17:05, 8.20s/it] 126it [17:13, 8.21s/it] 127it [17:21, 8.20s/it] 128it [17:30, 8.20s/it] 129it [17:38, 8.21s/it] 130it [17:46, 8.19s/it] 131it [17:54, 8.20s/it] 132it [18:02, 8.19s/it] 133it [18:11, 8.20s/it] 134it [18:19, 8.21s/it] 135it [18:27, 8.21s/it] 136it [18:35, 8.22s/it] 137it [18:43, 8.21s/it] 138it [18:52, 8.19s/it] 139it [19:00, 8.21s/it] 140it [19:08, 8.21s/it] 141it [19:16, 8.19s/it] 142it [19:24, 8.17s/it] 143it [19:32, 8.19s/it] 144it [19:41, 8.19s/it] 145it [19:49, 8.18s/it] 146it [19:57, 8.19s/it] 147it [20:05, 8.19s/it] 148it [20:13, 8.18s/it] 149it [20:22, 8.19s/it] 150it [20:30, 8.19s/it] 151it [20:38, 8.15s/it] 152it [20:46, 8.18s/it] 153it [20:54, 8.19s/it] 154it [21:03, 8.19s/it] 155it [21:11, 8.19s/it] 156it [21:19, 8.19s/it] 157it [21:27, 8.16s/it] 158it [21:35, 8.18s/it] 159it [21:43, 8.17s/it] 160it [21:52, 8.18s/it] 161it [22:00, 8.19s/it] 162it [22:08, 8.20s/it] 163it [22:16, 8.19s/it] 164it [22:24, 8.18s/it] 165it [22:33, 8.20s/it] 166it [22:41, 8.18s/it] 167it [22:49, 8.18s/it] 168it [22:57, 8.18s/it] 169it [23:05, 8.19s/it] 170it [23:13, 8.18s/it] 171it [23:22, 8.20s/it] 172it [23:30, 8.19s/it] 173it [23:38, 8.19s/it] 174it [23:46, 8.17s/it] 175it [23:54, 8.18s/it] 176it [24:02, 8.17s/it] 177it [24:11, 8.17s/it] 178it [24:19, 8.17s/it] 179it [24:27, 8.17s/it] 180it [24:35, 8.17s/it] 181it [24:43, 8.18s/it] 182it [24:51, 8.15s/it] 183it [25:00, 8.16s/it] 184it [25:08, 8.19s/it] 185it [25:16, 8.19s/it] 186it [25:24, 8.20s/it] 187it [25:33, 8.20s/it] 188it [25:41, 8.20s/it] 189it [25:49, 8.19s/it] 190it [25:57, 8.20s/it] 191it [26:05, 8.21s/it] 192it [26:14, 8.21s/it] 193it [26:22, 8.22s/it] 194it [26:30, 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8.06s/it] 674it [1:31:47, 8.06s/it] 675it [1:31:55, 8.06s/it] 676it [1:32:03, 8.06s/it] 677it [1:32:11, 8.06s/it] 678it [1:32:19, 8.05s/it] 679it [1:32:27, 8.05s/it] 680it [1:32:35, 8.06s/it] 681it [1:32:43, 8.06s/it] 682it [1:32:51, 8.05s/it] 683it [1:32:59, 8.04s/it] 684it [1:33:07, 8.04s/it] 685it [1:33:16, 8.04s/it] 686it [1:33:24, 8.04s/it] 687it [1:33:32, 8.04s/it] 688it [1:33:40, 8.04s/it] 689it [1:33:48, 8.05s/it] 690it [1:33:56, 8.05s/it] 691it [1:34:04, 8.04s/it] 692it [1:34:12, 8.02s/it] 693it [1:34:20, 8.04s/it] 694it [1:34:28, 8.04s/it] 695it [1:34:36, 8.04s/it] 696it [1:34:44, 8.04s/it] 697it [1:34:52, 8.05s/it] 698it [1:35:00, 8.04s/it] 699it [1:35:08, 8.04s/it] 700it [1:35:16, 8.04s/it] 701it [1:35:24, 8.05s/it] 702it [1:35:32, 8.05s/it] 703it [1:35:40, 8.05s/it] 704it [1:35:48, 8.04s/it] 705it [1:35:56, 8.04s/it] 706it [1:36:04, 8.03s/it] 707it [1:36:12, 8.02s/it] 708it [1:36:20, 8.03s/it] 709it [1:36:28, 8.02s/it] 710it [1:36:36, 8.03s/it] 711it [1:36:44, 8.02s/it] 712it [1:36:52, 8.02s/it] 713it [1:37:00, 8.01s/it] 714it [1:37:09, 8.02s/it] 715it [1:37:17, 8.03s/it] 716it [1:37:25, 8.04s/it] 717it [1:37:33, 8.03s/it] 718it [1:37:41, 8.02s/it] 719it [1:37:49, 8.02s/it] 720it [1:37:57, 8.01s/it] 721it [1:38:05, 8.03s/it] 722it [1:38:13, 8.03s/it] 723it [1:38:21, 8.04s/it] 724it [1:38:29, 8.03s/it] 725it [1:38:37, 8.03s/it] 726it [1:38:45, 8.04s/it] 727it [1:38:53, 8.03s/it] 728it [1:39:01, 8.02s/it] 729it [1:39:09, 8.03s/it] 730it [1:39:17, 8.03s/it] 731it [1:39:25, 8.02s/it] 732it [1:39:33, 8.02s/it] 733it [1:39:41, 8.03s/it] 734it [1:39:49, 8.03s/it] 735it [1:39:57, 8.04s/it] 736it [1:40:05, 8.04s/it] 737it [1:40:13, 8.04s/it] 738it [1:40:21, 8.04s/it] 739it [1:40:29, 8.04s/it] 740it [1:40:37, 8.05s/it] 741it [1:40:45, 8.05s/it] 742it [1:40:53, 8.04s/it] 743it [1:41:02, 8.04s/it] 744it [1:41:10, 8.05s/it] 745it [1:41:18, 8.04s/it] 746it [1:41:26, 8.04s/it] 747it [1:41:34, 8.04s/it] 748it [1:41:42, 8.05s/it] 749it [1:41:50, 8.05s/it] 750it [1:41:58, 8.05s/it] 751it [1:42:06, 8.05s/it] 752it [1:42:14, 8.04s/it] 753it [1:42:22, 8.04s/it] 754it [1:42:30, 8.05s/it] 755it [1:42:38, 8.05s/it] 756it [1:42:46, 8.04s/it] 757it [1:42:54, 8.04s/it] 758it [1:43:02, 8.05s/it] 759it [1:43:10, 8.04s/it] 760it [1:43:18, 8.04s/it] 761it [1:43:26, 8.06s/it] 762it [1:43:34, 8.06s/it] 763it [1:43:42, 8.06s/it] 764it [1:43:51, 8.06s/it] 765it [1:43:59, 8.06s/it] 766it [1:44:07, 8.05s/it] 767it [1:44:15, 8.04s/it] 768it [1:44:23, 8.04s/it] 769it [1:44:31, 8.02s/it] 770it [1:44:39, 8.02s/it] 771it [1:44:47, 8.02s/it] 772it [1:44:55, 8.04s/it] 773it [1:45:03, 8.03s/it] 774it [1:45:11, 8.03s/it] 775it [1:45:19, 8.04s/it] 776it [1:45:27, 8.03s/it] 777it [1:45:35, 8.03s/it] 778it [1:45:43, 8.03s/it] 779it [1:45:51, 8.03s/it] 780it [1:45:59, 8.02s/it] 781it [1:46:07, 8.02s/it] 782it [1:46:15, 8.02s/it] 783it [1:46:23, 8.02s/it] 784it [1:46:31, 8.01s/it] 785it [1:46:39, 8.01s/it] 786it [1:46:47, 8.01s/it] 787it [1:46:55, 8.02s/it] 788it [1:47:03, 8.02s/it] 789it [1:47:11, 8.03s/it] 790it [1:47:19, 8.02s/it] 791it [1:47:27, 8.00s/it] 792it [1:47:35, 8.00s/it] 793it [1:47:43, 7.99s/it] 794it [1:47:51, 8.00s/it] 795it [1:47:59, 7.99s/it] 796it [1:48:07, 8.01s/it] 797it [1:48:15, 8.00s/it] 798it [1:48:23, 8.01s/it] 799it [1:48:31, 8.01s/it] 800it [1:48:39, 8.01s/it] 801it [1:48:47, 8.01s/it] 802it [1:48:55, 8.01s/it] 803it [1:49:03, 8.01s/it] 804it [1:49:11, 8.01s/it] 805it [1:49:19, 8.02s/it] 806it [1:49:27, 8.03s/it] 807it [1:49:35, 8.03s/it] 808it [1:49:43, 8.02s/it] 809it [1:49:51, 8.03s/it] 810it [1:49:59, 8.04s/it] 811it [1:50:07, 8.03s/it] 812it [1:50:15, 8.02s/it] 813it [1:50:24, 8.03s/it] 814it [1:50:32, 8.04s/it] 815it [1:50:40, 8.04s/it] 816it [1:50:48, 8.03s/it] 817it [1:50:56, 8.01s/it] 818it [1:51:04, 8.01s/it] 819it [1:51:12, 8.01s/it] 820it [1:51:20, 8.02s/it] 821it [1:51:28, 8.03s/it] 822it [1:51:36, 8.02s/it] 823it [1:51:44, 8.02s/it] 824it [1:51:52, 8.03s/it] 825it [1:52:00, 8.02s/it] 826it [1:52:08, 8.02s/it] 827it [1:52:16, 8.02s/it] 828it [1:52:24, 8.04s/it] 829it [1:52:32, 8.04s/it] 830it [1:52:40, 8.04s/it] 831it [1:52:48, 8.03s/it] 832it [1:52:56, 8.03s/it] 833it [1:53:04, 8.03s/it] 834it [1:53:12, 8.03s/it] 835it [1:53:20, 8.03s/it] 836it [1:53:28, 8.03s/it] 837it [1:53:36, 8.02s/it] 838it [1:53:44, 8.04s/it] 839it [1:53:52, 8.03s/it] 840it [1:54:00, 8.03s/it] 841it [1:54:08, 8.03s/it] 842it [1:54:16, 8.03s/it] 843it [1:54:24, 8.02s/it] 844it [1:54:32, 8.01s/it] 845it [1:54:40, 8.01s/it] 846it [1:54:48, 8.02s/it] 847it [1:54:56, 8.02s/it] 848it [1:55:04, 8.01s/it] 849it [1:55:12, 8.01s/it] 850it [1:55:20, 8.01s/it] 851it [1:55:28, 8.01s/it] 852it [1:55:36, 8.02s/it] 853it [1:55:44, 8.02s/it] 854it [1:55:52, 8.02s/it] 855it [1:56:00, 8.02s/it] 856it [1:56:09, 8.02s/it] 857it [1:56:17, 8.01s/it] 858it [1:56:25, 8.01s/it] 859it [1:56:33, 8.01s/it] 860it [1:56:41, 8.02s/it] 861it [1:56:49, 8.02s/it] 862it [1:56:57, 8.01s/it] 863it [1:57:05, 8.02s/it] 864it [1:57:13, 8.02s/it] 865it [1:57:21, 8.02s/it] 866it [1:57:29, 8.02s/it] 867it [1:57:37, 8.02s/it] 868it [1:57:45, 8.02s/it] 869it [1:57:53, 8.03s/it] 870it [1:58:01, 8.02s/it] 871it [1:58:09, 8.02s/it] 872it [1:58:17, 8.01s/it] 873it [1:58:25, 8.02s/it] 874it [1:58:33, 8.00s/it] 875it [1:58:41, 8.01s/it] 876it [1:58:49, 8.03s/it] 877it [1:58:57, 8.03s/it] 878it [1:59:05, 8.03s/it] 879it [1:59:13, 8.02s/it] 880it [1:59:21, 8.01s/it] 881it [1:59:29, 8.02s/it] 882it [1:59:37, 8.03s/it] 883it [1:59:45, 8.03s/it] 884it [1:59:53, 8.02s/it] 885it [2:00:01, 8.03s/it] 886it [2:00:09, 8.03s/it] 887it [2:00:17, 8.02s/it] 888it [2:00:25, 8.02s/it] 889it [2:00:33, 8.03s/it] 890it [2:00:41, 8.03s/it] 891it [2:00:49, 8.03s/it] 892it [2:00:57, 8.04s/it] 893it [2:01:05, 8.03s/it] 894it [2:01:13, 8.04s/it] 895it [2:01:21, 8.03s/it] 896it [2:01:29, 8.03s/it] 897it [2:01:37, 8.03s/it] 898it [2:01:46, 8.04s/it] 899it [2:01:54, 8.03s/it] 900it [2:02:02, 8.04s/it] 901it [2:02:10, 8.03s/it] 902it [2:02:18, 8.03s/it] 903it [2:02:26, 8.02s/it] 904it [2:02:34, 8.03s/it] 905it [2:02:42, 8.03s/it] 906it [2:02:50, 8.03s/it] 907it [2:02:58, 8.02s/it] 908it [2:03:06, 8.03s/it] 909it [2:03:14, 8.04s/it] 910it [2:03:22, 8.02s/it] 911it [2:03:30, 8.02s/it] 912it [2:03:38, 8.03s/it] 913it [2:03:46, 8.02s/it] 914it [2:03:54, 8.02s/it] 915it [2:04:02, 8.02s/it] 916it [2:04:10, 8.02s/it] 917it [2:04:18, 8.02s/it] 918it [2:04:26, 8.02s/it] 919it [2:04:34, 8.02s/it] 920it [2:04:42, 8.01s/it] 921it [2:04:50, 8.02s/it] 922it [2:04:58, 8.03s/it] 923it [2:05:06, 8.02s/it] 924it [2:05:14, 8.01s/it] 925it [2:05:22, 8.02s/it] 926it [2:05:30, 8.03s/it] 927it [2:05:38, 8.03s/it] 928it [2:05:46, 8.03s/it] 929it [2:05:54, 8.03s/it] 930it [2:06:02, 8.03s/it] 931it [2:06:10, 8.04s/it] 932it [2:06:18, 8.04s/it] 933it [2:06:26, 8.04s/it] 934it [2:06:34, 8.04s/it] 935it [2:06:42, 8.04s/it] 936it [2:06:51, 8.04s/it] 937it [2:06:59, 8.03s/it] 938it [2:07:07, 8.04s/it] 939it [2:07:15, 8.04s/it] 940it [2:07:23, 8.02s/it] 941it [2:07:31, 8.02s/it] 942it [2:07:39, 8.01s/it] 943it [2:07:47, 8.02s/it] 944it [2:07:55, 8.02s/it] 945it [2:08:03, 8.02s/it] 946it [2:08:11, 8.02s/it] 947it [2:08:19, 8.02s/it] 948it [2:08:27, 8.02s/it] 949it [2:08:35, 8.03s/it] 950it [2:08:43, 8.03s/it] 951it [2:08:51, 8.02s/it] 952it [2:08:59, 8.02s/it] 953it [2:09:07, 8.03s/it] 954it [2:09:15, 8.03s/it] 955it [2:09:23, 8.03s/it] 956it [2:09:31, 8.03s/it] 957it [2:09:39, 8.03s/it] 958it [2:09:47, 8.03s/it] 959it [2:09:55, 8.02s/it] 960it [2:10:03, 8.02s/it] 961it [2:10:11, 8.01s/it] 962it [2:10:19, 8.01s/it] 963it [2:10:27, 8.02s/it] 964it [2:10:35, 8.01s/it] 965it [2:10:43, 8.00s/it] 966it [2:10:51, 7.99s/it] 967it [2:10:59, 7.99s/it] 968it [2:11:07, 8.00s/it] 969it [2:11:15, 8.01s/it] 970it [2:11:23, 8.02s/it] 971it [2:11:31, 8.02s/it] 972it [2:11:39, 8.02s/it] 973it [2:11:47, 8.03s/it] 974it [2:11:55, 8.03s/it] 975it [2:12:03, 8.02s/it] 976it [2:12:11, 8.02s/it] 977it [2:12:19, 8.01s/it] 978it [2:12:27, 8.01s/it] 979it [2:12:35, 8.02s/it] 980it [2:12:43, 8.02s/it] 981it [2:12:51, 8.03s/it] 982it [2:12:59, 8.03s/it] 983it [2:13:07, 8.02s/it] 984it [2:13:15, 8.02s/it] 985it [2:13:23, 8.02s/it] 986it [2:13:31, 8.02s/it] 987it [2:13:40, 8.04s/it] 988it [2:13:48, 8.04s/it] 989it [2:13:56, 8.04s/it] 990it [2:14:04, 8.03s/it] 991it [2:14:12, 8.03s/it] 992it [2:14:20, 8.04s/it] 993it [2:14:28, 8.03s/it] 994it [2:14:36, 8.04s/it] 995it [2:14:44, 8.03s/it] 996it [2:14:52, 8.04s/it] 997it [2:15:00, 8.05s/it] 998it [2:15:08, 8.05s/it] 999it [2:15:16, 8.06s/it] 1000it [2:15:24, 8.06s/it] 1000it [2:15:24, 8.12s/it] Error counts: cysteine_to_N_cyclization: 0 ⏰ Completed process in 5:26:57.281438 0it [00:00, ?it/s] 1it [00:10, 10.26s/it] 2it [00:20, 10.26s/it] 3it [00:30, 10.26s/it] 4it [00:41, 10.26s/it] 5it [00:51, 10.27s/it] 6it [01:01, 10.28s/it] 7it [01:11, 10.26s/it] 8it [01:22, 10.30s/it] 9it [01:32, 10.29s/it] 10it [01:42, 10.29s/it] 11it [01:53, 10.28s/it] 12it [02:03, 10.28s/it] 13it [02:13, 10.29s/it] 14it [02:23, 10.28s/it] 15it [02:34, 10.27s/it] 16it [02:44, 10.28s/it] 17it [02:54, 10.29s/it] 18it [03:05, 10.29s/it] 19it [03:15, 10.27s/it] 20it [03:25, 10.28s/it] 21it [03:35, 10.27s/it] 22it [03:46, 10.26s/it] 23it [03:56, 10.23s/it] 24it [04:06, 10.25s/it] 25it [04:16, 10.26s/it] 26it [04:27, 10.25s/it] 27it [04:37, 10.27s/it] 28it [04:47, 10.26s/it] 29it [04:57, 10.26s/it] 30it [05:08, 10.27s/it] 31it [05:18, 10.29s/it] 32it [05:28, 10.29s/it] 33it [05:39, 10.29s/it] 34it [05:49, 10.27s/it] 35it [05:59, 10.28s/it] 36it [06:09, 10.26s/it] 37it [06:20, 10.28s/it] 38it [06:30, 10.31s/it] 39it [06:40, 10.30s/it] 40it [06:51, 10.27s/it] 41it [07:01, 10.25s/it] 42it [07:11, 10.26s/it] 43it [07:21, 10.28s/it] 44it [07:32, 10.29s/it] 45it [07:42, 10.28s/it] 46it [07:52, 10.31s/it] 47it [08:03, 10.29s/it] 48it [08:13, 10.28s/it] 49it [08:23, 10.28s/it] 50it [08:33, 10.28s/it] 51it [08:44, 10.27s/it] 52it [08:54, 10.29s/it] 53it [09:04, 10.27s/it] 54it [09:14, 10.27s/it] 55it [09:25, 10.25s/it] 56it [09:35, 10.25s/it] 57it [09:45, 10.26s/it] 58it [09:55, 10.27s/it] 59it [10:06, 10.29s/it] 60it [10:16, 10.28s/it] 61it [10:26, 10.29s/it] 62it [10:37, 10.30s/it] 63it [10:47, 10.29s/it] 64it [10:57, 10.28s/it] 65it [11:07, 10.28s/it] 66it [11:18, 10.27s/it] 67it [11:28, 10.26s/it] 68it [11:38, 10.26s/it] 69it [11:49, 10.27s/it] 70it [11:59, 10.28s/it] 71it [12:09, 10.28s/it] 72it [12:19, 10.27s/it] 73it [12:30, 10.26s/it] 74it [12:40, 10.29s/it] 75it [12:50, 10.30s/it] 76it [13:01, 10.33s/it] 77it [13:11, 10.31s/it] 78it [13:21, 10.30s/it] 79it [13:32, 10.31s/it] 80it [13:42, 10.30s/it] 81it [13:52, 10.30s/it] 82it [14:02, 10.30s/it] 83it [14:13, 10.30s/it] 84it [14:23, 10.29s/it] 85it [14:33, 10.29s/it] 86it [14:44, 10.30s/it] 87it [14:54, 10.30s/it] 88it [15:04, 10.28s/it] 89it [15:15, 10.30s/it] 90it [15:25, 10.29s/it] 91it [15:35, 10.29s/it] 92it [15:45, 10.30s/it] 93it [15:56, 10.32s/it] 94it [16:06, 10.28s/it] 95it [16:16, 10.29s/it] 96it [16:27, 10.28s/it] 97it [16:37, 10.25s/it] 98it [16:47, 10.26s/it] 99it [16:57, 10.26s/it] 100it [17:07, 10.26s/it] 101it [17:18, 10.28s/it] 102it [17:28, 10.27s/it] 103it [17:38, 10.28s/it] 104it [17:49, 10.29s/it] 105it [17:59, 10.30s/it] 106it [18:09, 10.29s/it] 107it [18:20, 10.30s/it] 108it [18:30, 10.29s/it] 109it [18:40, 10.30s/it] 110it [18:50, 10.29s/it] 111it [19:01, 10.30s/it] 112it [19:11, 10.29s/it] 113it [19:21, 10.27s/it] 114it [19:32, 10.27s/it] 115it [19:42, 10.28s/it] 116it [19:52, 10.30s/it] 117it [20:02, 10.29s/it] 118it [20:13, 10.28s/it] 119it [20:23, 10.29s/it] 120it [20:33, 10.28s/it] 121it [20:44, 10.29s/it] 122it [20:54, 10.29s/it] 123it [21:04, 10.31s/it] 124it [21:15, 10.31s/it] 125it [21:25, 10.30s/it] 126it [21:35, 10.30s/it] 127it [21:45, 10.29s/it] 128it [21:56, 10.28s/it] 129it [22:06, 10.29s/it] 130it [22:16, 10.27s/it] 131it [22:27, 10.29s/it] 132it [22:37, 10.29s/it] 133it [22:47, 10.30s/it] 134it [22:57, 10.29s/it] 135it [23:08, 10.30s/it] 136it [23:18, 10.31s/it] 137it [23:28, 10.31s/it] 138it [23:39, 10.31s/it] 139it [23:49, 10.32s/it] 140it [23:59, 10.30s/it] 141it [24:10, 10.29s/it] 142it [24:20, 10.27s/it] 143it [24:30, 10.29s/it] 144it [24:40, 10.29s/it] 145it [24:51, 10.30s/it] 146it [25:01, 10.29s/it] 147it [25:11, 10.28s/it] 148it [25:22, 10.28s/it] 149it [25:32, 10.28s/it] 150it [25:42, 10.27s/it] 151it [25:52, 10.25s/it] 152it [26:03, 10.30s/it] 153it [26:13, 10.29s/it] 154it [26:23, 10.30s/it] 155it [26:34, 10.29s/it] 156it [26:44, 10.29s/it] 157it [26:54, 10.29s/it] 158it [27:04, 10.30s/it] 159it [27:15, 10.28s/it] 160it [27:25, 10.30s/it] 161it [27:35, 10.30s/it] 162it [27:46, 10.30s/it] 163it [27:56, 10.30s/it] 164it [28:06, 10.29s/it] 165it [28:16, 10.30s/it] 166it [28:27, 10.30s/it] 167it [28:37, 10.28s/it] 168it [28:47, 10.28s/it] 169it [28:58, 10.29s/it] 170it [29:08, 10.28s/it] 171it [29:18, 10.29s/it] 172it [29:28, 10.27s/it] 173it [29:39, 10.29s/it] 174it [29:49, 10.26s/it] 175it [29:59, 10.25s/it] 176it [30:09, 10.26s/it] 177it [30:20, 10.26s/it] 178it [30:30, 10.24s/it] 179it [30:40, 10.26s/it] 180it [30:50, 10.26s/it] 181it [31:01, 10.28s/it] 182it [31:11, 10.28s/it] 183it [31:21, 10.29s/it] 184it [31:32, 10.31s/it] 185it [31:42, 10.29s/it] 186it [31:52, 10.29s/it] 187it [32:03, 10.29s/it] 188it [32:13, 10.29s/it] 189it [32:23, 10.29s/it] 190it [32:33, 10.27s/it] 191it [32:44, 10.30s/it] 192it [32:54, 10.29s/it] 193it [33:04, 10.30s/it] 194it [33:15, 10.28s/it] 195it [33:25, 10.30s/it] 196it [33:35, 10.32s/it] 197it [33:46, 10.31s/it] 198it [33:56, 10.30s/it] 199it [34:06, 10.29s/it] 200it [34:16, 10.28s/it] 201it [34:27, 10.29s/it] 202it [34:37, 10.27s/it] 203it [34:47, 10.28s/it] 204it [34:57, 10.27s/it] 205it [35:08, 10.30s/it] 206it [35:18, 10.30s/it] 207it [35:28, 10.31s/it] 208it [35:39, 10.32s/it] 209it [35:49, 10.30s/it] 210it [35:59, 10.28s/it] 211it [36:10, 10.29s/it] 212it [36:20, 10.30s/it] 213it [36:30, 10.30s/it] 214it [36:40, 10.29s/it] 215it [36:51, 10.28s/it] 216it [37:01, 10.29s/it] 217it [37:11, 10.29s/it] 218it [37:22, 10.27s/it] 219it [37:32, 10.29s/it] 220it [37:42, 10.28s/it] 221it [37:52, 10.26s/it] 222it [38:03, 10.30s/it] 223it [38:13, 10.31s/it] 224it [38:23, 10.27s/it] 225it [38:33, 10.25s/it] 226it [38:44, 10.25s/it] 227it [38:54, 10.27s/it] 228it [39:04, 10.27s/it] 229it [39:15, 10.27s/it] 230it [39:25, 10.27s/it] 231it [39:35, 10.25s/it] 232it [39:45, 10.27s/it] 233it [39:56, 10.28s/it] 234it [40:06, 10.27s/it] 235it [40:16, 10.26s/it] 236it [40:26, 10.24s/it] 237it [40:37, 10.26s/it] 238it [40:47, 10.28s/it] 239it [40:57, 10.28s/it] 240it [41:08, 10.27s/it] 241it [41:18, 10.29s/it] 242it [41:28, 10.30s/it] 243it [41:38, 10.29s/it] 244it [41:49, 10.29s/it] 245it [41:59, 10.27s/it] 246it [42:09, 10.25s/it] 247it [42:19, 10.26s/it] 248it [42:30, 10.25s/it] 249it [42:40, 10.24s/it] 250it [42:50, 10.25s/it] 251it [43:00, 10.26s/it] 252it [43:11, 10.26s/it] 253it [43:21, 10.28s/it] 254it [43:31, 10.26s/it] 255it [43:41, 10.24s/it] 256it [43:52, 10.24s/it] 257it [44:02, 10.24s/it] 258it [44:12, 10.24s/it] 259it [44:23, 10.26s/it] 260it [44:33, 10.27s/it] 261it [44:43, 10.28s/it] 262it [44:53, 10.29s/it] 263it [45:04, 10.30s/it] 264it [45:14, 10.29s/it] 265it [45:24, 10.32s/it] 266it [45:35, 10.32s/it] 267it [45:45, 10.33s/it] 268it [45:55, 10.32s/it] 269it [46:06, 10.28s/it] 270it [46:16, 10.27s/it] 271it [46:26, 10.26s/it] 272it [46:36, 10.27s/it] 273it [46:47, 10.28s/it] 274it [46:57, 10.28s/it] 275it [47:07, 10.27s/it] 276it [47:17, 10.29s/it] 277it [47:28, 10.29s/it] 278it [47:38, 10.29s/it] 279it [47:48, 10.31s/it] 280it [47:59, 10.31s/it] 281it [48:09, 10.31s/it] 282it [48:19, 10.33s/it] 283it [48:30, 10.33s/it] 284it [48:40, 10.34s/it] 285it [48:50, 10.34s/it] 286it [49:01, 10.35s/it] 287it [49:11, 10.35s/it] 288it [49:21, 10.30s/it] 289it [49:32, 10.30s/it] 290it [49:42, 10.32s/it] 291it [49:52, 10.31s/it] 292it [50:03, 10.31s/it] 293it [50:13, 10.29s/it] 294it [50:23, 10.27s/it] 295it [50:33, 10.28s/it] 296it [50:44, 10.29s/it] 297it [50:54, 10.29s/it] 298it [51:04, 10.31s/it] 299it [51:15, 10.31s/it] 300it [51:25, 10.32s/it] 301it [51:35, 10.33s/it] 302it [51:46, 10.33s/it] 303it [51:56, 10.32s/it] 304it [52:06, 10.31s/it] 305it [52:17, 10.31s/it] 306it [52:27, 10.31s/it] 307it [52:37, 10.32s/it] 308it [52:48, 10.32s/it] 309it [52:58, 10.32s/it] 310it [53:08, 10.33s/it] 311it [53:19, 10.32s/it] 312it [53:29, 10.30s/it] 313it [53:39, 10.29s/it] 314it [53:49, 10.28s/it] 315it [54:00, 10.27s/it] 316it [54:10, 10.30s/it] 317it [54:20, 10.31s/it] 318it [54:31, 10.31s/it] 319it [54:41, 10.28s/it] 320it [54:51, 10.29s/it] 321it [55:01, 10.29s/it] 322it [55:12, 10.29s/it] 323it [55:22, 10.30s/it] 324it [55:32, 10.29s/it] 325it [55:43, 10.30s/it] 326it [55:53, 10.31s/it] 327it [56:03, 10.30s/it] 328it [56:13, 10.30s/it] 329it [56:24, 10.31s/it] 330it [56:34, 10.31s/it] 331it [56:44, 10.29s/it] 332it [56:55, 10.29s/it] 333it [57:05, 10.30s/it] 334it [57:15, 10.30s/it] 335it [57:26, 10.29s/it] 336it [57:36, 10.29s/it] 337it [57:46, 10.32s/it] 338it [57:56, 10.30s/it] 339it [58:07, 10.29s/it] 340it [58:17, 10.29s/it] 341it [58:27, 10.28s/it] 342it [58:38, 10.27s/it] 343it [58:48, 10.27s/it] 344it [58:58, 10.27s/it] 345it [59:08, 10.26s/it] 346it [59:19, 10.29s/it] 347it [59:29, 10.30s/it] 348it [59:39, 10.28s/it] 349it [59:49, 10.25s/it] 350it [1:00:00, 10.26s/it] 351it [1:00:10, 10.27s/it] 352it [1:00:20, 10.30s/it] 353it [1:00:31, 10.30s/it] 354it [1:00:41, 10.30s/it] 355it [1:00:51, 10.30s/it] 356it [1:01:02, 10.30s/it] 357it [1:01:12, 10.29s/it] 358it [1:01:22, 10.30s/it] 359it [1:01:32, 10.31s/it] 360it [1:01:43, 10.29s/it] 361it [1:01:53, 10.31s/it] 362it [1:02:03, 10.31s/it] 363it [1:02:14, 10.33s/it] 364it [1:02:24, 10.32s/it] 365it [1:02:34, 10.31s/it] 366it [1:02:45, 10.31s/it] 367it [1:02:55, 10.32s/it] 368it [1:03:05, 10.35s/it] 369it [1:03:16, 10.34s/it] 370it [1:03:26, 10.32s/it] 371it [1:03:36, 10.32s/it] 372it [1:03:47, 10.32s/it] 373it [1:03:57, 10.33s/it] 374it [1:04:07, 10.33s/it] 375it [1:04:18, 10.31s/it] 376it [1:04:28, 10.31s/it] 377it [1:04:38, 10.32s/it] 378it [1:04:49, 10.31s/it] 379it [1:04:59, 10.30s/it] 380it [1:05:09, 10.28s/it] 381it [1:05:19, 10.26s/it] 382it [1:05:30, 10.26s/it] 383it [1:05:40, 10.28s/it] 384it [1:05:50, 10.30s/it] 385it [1:06:00, 10.28s/it] 386it [1:06:11, 10.29s/it] 387it [1:06:21, 10.27s/it] 388it [1:06:31, 10.30s/it] 389it [1:06:42, 10.27s/it] 390it [1:06:52, 10.28s/it] 391it [1:07:02, 10.28s/it] 392it [1:07:12, 10.30s/it] 393it [1:07:23, 10.31s/it] 394it [1:07:33, 10.31s/it] 395it [1:07:43, 10.31s/it] 396it [1:07:54, 10.29s/it] 397it [1:08:04, 10.29s/it] 398it [1:08:14, 10.29s/it] 399it [1:08:25, 10.31s/it] 400it [1:08:35, 10.31s/it] 401it [1:08:45, 10.29s/it] 402it [1:08:55, 10.27s/it] 403it [1:09:06, 10.30s/it] 404it [1:09:16, 10.31s/it] 405it [1:09:26, 10.30s/it] 406it [1:09:37, 10.30s/it] 407it [1:09:47, 10.31s/it] 408it [1:09:57, 10.30s/it] 409it [1:10:08, 10.32s/it] 410it [1:10:18, 10.32s/it] 411it [1:10:28, 10.34s/it] 412it [1:10:39, 10.34s/it] 413it [1:10:49, 10.34s/it] 414it [1:10:59, 10.33s/it] 415it [1:11:10, 10.32s/it] 416it [1:11:20, 10.30s/it] 417it [1:11:30, 10.33s/it] 418it [1:11:41, 10.32s/it] 419it [1:11:51, 10.31s/it] 420it [1:12:01, 10.32s/it] 421it [1:12:11, 10.31s/it] 422it [1:12:22, 10.32s/it] 423it [1:12:32, 10.31s/it] 424it [1:12:42, 10.27s/it] 425it [1:12:53, 10.30s/it] 426it [1:13:03, 10.32s/it] 427it [1:13:13, 10.32s/it] 428it [1:13:24, 10.32s/it] 429it [1:13:34, 10.32s/it] 430it [1:13:44, 10.32s/it] 431it [1:13:55, 10.31s/it] 432it [1:14:05, 10.29s/it] 433it [1:14:15, 10.29s/it] 434it [1:14:25, 10.30s/it] 435it [1:14:36, 10.30s/it] 436it [1:14:46, 10.31s/it] 437it [1:14:56, 10.30s/it] 438it [1:15:07, 10.29s/it] 439it [1:15:17, 10.31s/it] 440it [1:15:27, 10.33s/it] 441it [1:15:38, 10.30s/it] 442it [1:15:48, 10.32s/it] 443it [1:15:58, 10.32s/it] 444it [1:16:09, 10.32s/it] 445it [1:16:19, 10.31s/it] 446it [1:16:29, 10.32s/it] 447it [1:16:39, 10.31s/it] 448it [1:16:50, 10.29s/it] 449it [1:17:00, 10.31s/it] 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857it [2:27:04, 10.27s/it] 858it [2:27:14, 10.30s/it] 859it [2:27:24, 10.29s/it] 860it [2:27:35, 10.30s/it] 861it [2:27:45, 10.28s/it] 862it [2:27:55, 10.29s/it] 863it [2:28:06, 10.30s/it] 864it [2:28:16, 10.31s/it] 865it [2:28:26, 10.29s/it] 866it [2:28:36, 10.30s/it] 867it [2:28:47, 10.28s/it] 868it [2:28:57, 10.28s/it] 869it [2:29:07, 10.29s/it] 870it [2:29:17, 10.28s/it] 871it [2:29:28, 10.26s/it] 872it [2:29:38, 10.24s/it] 873it [2:29:48, 10.27s/it] 874it [2:29:58, 10.27s/it] 875it [2:30:09, 10.27s/it] 876it [2:30:19, 10.27s/it] 877it [2:30:29, 10.27s/it] 878it [2:30:40, 10.27s/it] 879it [2:30:50, 10.25s/it] 880it [2:31:00, 10.26s/it] 881it [2:31:10, 10.27s/it] 882it [2:31:21, 10.28s/it] 883it [2:31:31, 10.27s/it] 884it [2:31:41, 10.25s/it] 885it [2:31:51, 10.27s/it] 886it [2:32:02, 10.27s/it] 887it [2:32:12, 10.28s/it] 888it [2:32:22, 10.26s/it] 889it [2:32:33, 10.29s/it] 890it [2:32:43, 10.30s/it] 891it [2:32:53, 10.29s/it] 892it [2:33:03, 10.29s/it] 893it [2:33:14, 10.29s/it] 894it [2:33:24, 10.30s/it] 895it [2:33:34, 10.30s/it] 896it [2:33:45, 10.30s/it] 897it [2:33:55, 10.31s/it] 898it [2:34:05, 10.30s/it] 899it [2:34:16, 10.30s/it] 900it [2:34:26, 10.31s/it] 901it [2:34:36, 10.31s/it] 902it [2:34:46, 10.29s/it] 903it [2:34:57, 10.30s/it] 904it [2:35:07, 10.28s/it] 905it [2:35:17, 10.29s/it] 906it [2:35:28, 10.31s/it] 907it [2:35:38, 10.30s/it] 908it [2:35:48, 10.32s/it] 909it [2:35:59, 10.31s/it] 910it [2:36:09, 10.31s/it] 911it [2:36:19, 10.31s/it] 912it [2:36:30, 10.32s/it] 913it [2:36:40, 10.31s/it] 914it [2:36:50, 10.30s/it] 915it [2:37:00, 10.30s/it] 916it [2:37:11, 10.30s/it] 917it [2:37:21, 10.29s/it] 918it [2:37:31, 10.27s/it] 919it [2:37:41, 10.26s/it] 920it [2:37:52, 10.28s/it] 921it [2:38:02, 10.29s/it] 922it [2:38:12, 10.29s/it] 923it [2:38:23, 10.28s/it] 924it [2:38:33, 10.28s/it] 925it [2:38:43, 10.28s/it] 926it [2:38:54, 10.30s/it] 927it [2:39:04, 10.31s/it] 928it [2:39:14, 10.31s/it] 929it [2:39:24, 10.29s/it] 930it [2:39:35, 10.31s/it] 931it [2:39:45, 10.30s/it] 932it [2:39:55, 10.31s/it] 933it [2:40:06, 10.31s/it] 934it [2:40:16, 10.32s/it] 935it [2:40:26, 10.31s/it] 936it [2:40:37, 10.30s/it] 937it [2:40:47, 10.29s/it] 938it [2:40:57, 10.29s/it] 939it [2:41:07, 10.28s/it] 940it [2:41:18, 10.27s/it] 941it [2:41:28, 10.28s/it] 942it [2:41:38, 10.28s/it] 943it [2:41:49, 10.29s/it] 944it [2:41:59, 10.29s/it] 945it [2:42:09, 10.29s/it] 946it [2:42:19, 10.29s/it] 947it [2:42:30, 10.28s/it] 948it [2:42:40, 10.27s/it] 949it [2:42:50, 10.28s/it] 950it [2:43:01, 10.28s/it] 951it [2:43:11, 10.27s/it] 952it [2:43:21, 10.28s/it] 953it [2:43:31, 10.30s/it] 954it [2:43:42, 10.31s/it] 955it [2:43:52, 10.32s/it] 956it [2:44:02, 10.30s/it] 957it [2:44:13, 10.31s/it] 958it [2:44:23, 10.31s/it] 959it [2:44:33, 10.29s/it] 960it [2:44:44, 10.28s/it] 961it [2:44:54, 10.28s/it] 962it [2:45:04, 10.28s/it] 963it [2:45:14, 10.29s/it] 964it [2:45:25, 10.30s/it] 965it [2:45:35, 10.30s/it] 966it [2:45:45, 10.29s/it] 967it [2:45:55, 10.27s/it] 968it [2:46:06, 10.30s/it] 969it [2:46:16, 10.29s/it] 970it [2:46:26, 10.28s/it] 971it [2:46:37, 10.29s/it] 972it [2:46:47, 10.29s/it] 973it [2:46:57, 10.28s/it] 974it [2:47:08, 10.29s/it] 975it [2:47:18, 10.29s/it] 976it [2:47:28, 10.29s/it] 977it [2:47:38, 10.28s/it] 978it [2:47:49, 10.28s/it] 979it [2:47:59, 10.28s/it] 980it [2:48:09, 10.27s/it] 981it [2:48:20, 10.30s/it] 982it [2:48:30, 10.32s/it] 983it [2:48:40, 10.32s/it] 984it [2:48:51, 10.31s/it] 985it [2:49:01, 10.33s/it] 986it [2:49:11, 10.33s/it] 987it [2:49:22, 10.34s/it] 988it [2:49:32, 10.36s/it] 989it [2:49:42, 10.34s/it] 990it [2:49:53, 10.33s/it] 991it [2:50:03, 10.33s/it] 992it [2:50:13, 10.32s/it] 993it [2:50:24, 10.31s/it] 994it [2:50:34, 10.33s/it] 995it [2:50:44, 10.31s/it] 996it [2:50:55, 10.32s/it] 997it [2:51:05, 10.30s/it] 998it [2:51:15, 10.29s/it] 999it [2:51:25, 10.31s/it] 1000it [2:51:36, 10.29s/it] 1000it [2:51:36, 10.30s/it] Error counts: cyclic_id: 0 cyclic_inchikey: 0 cyclic_scaffold: 0 cyclic_mwt: 0 cyclic_clogp: 0 cyclic_tpsa: 0 ⏰ Completed process in 8:18:34.244350 0it [00:00, ?it/s] 1it [00:00, 8.75it/s] 2it [00:00, 8.58it/s] 3it [00:00, 9.07it/s] 4it [00:00, 9.35it/s] 5it [00:00, 9.48it/s] 6it [00:00, 9.56it/s] 7it [00:00, 9.62it/s] 8it [00:00, 9.58it/s] 9it [00:00, 9.62it/s] 10it [00:01, 9.65it/s] 11it [00:01, 9.72it/s] 12it [00:01, 9.66it/s] 13it [00:01, 9.68it/s] 14it [00:01, 9.66it/s] 15it [00:01, 9.70it/s] 16it [00:01, 9.71it/s] 17it [00:01, 9.75it/s] 18it [00:01, 9.72it/s] 19it [00:01, 9.74it/s] 20it [00:02, 9.73it/s] 21it [00:02, 9.68it/s] 22it [00:02, 9.69it/s] 23it [00:02, 9.68it/s] 24it [00:02, 9.68it/s] 25it [00:02, 9.71it/s] 26it [00:02, 9.76it/s] 27it [00:02, 9.73it/s] 28it [00:02, 9.73it/s] 29it [00:03, 9.70it/s] 30it [00:03, 9.70it/s] 31it [00:03, 9.68it/s] 32it [00:03, 9.67it/s] 33it [00:03, 9.69it/s] 34it [00:03, 9.70it/s] 35it [00:03, 9.67it/s] 36it [00:03, 9.68it/s] 37it [00:03, 9.69it/s] 38it [00:03, 9.67it/s] 39it [00:04, 9.67it/s] 40it [00:04, 9.68it/s] 41it [00:04, 9.70it/s] 42it [00:04, 9.70it/s] 43it [00:04, 9.64it/s] 44it [00:04, 9.65it/s] 45it [00:04, 9.67it/s] 46it [00:04, 9.64it/s] 47it [00:04, 9.66it/s] 48it [00:04, 9.69it/s] 49it [00:05, 9.67it/s] 50it [00:05, 9.66it/s] 51it [00:05, 9.67it/s] 52it [00:05, 9.69it/s] 53it [00:05, 9.64it/s] 54it [00:05, 9.65it/s] 55it [00:05, 9.68it/s] 56it [00:05, 9.68it/s] 57it [00:05, 9.63it/s] 58it [00:06, 9.67it/s] 59it [00:06, 9.71it/s] 60it [00:06, 9.71it/s] 61it [00:06, 9.70it/s] 62it [00:06, 9.70it/s] 63it [00:06, 9.73it/s] 64it [00:06, 9.73it/s] 65it [00:06, 9.70it/s] 66it [00:06, 9.72it/s] 67it [00:06, 9.71it/s] 68it [00:07, 9.67it/s] 69it [00:07, 9.67it/s] 70it [00:07, 9.68it/s] 71it [00:07, 9.70it/s] 72it [00:07, 9.67it/s] 73it [00:07, 9.68it/s] 74it [00:07, 9.70it/s] 75it [00:07, 9.69it/s] 76it [00:07, 9.71it/s] 77it [00:07, 9.71it/s] 78it [00:08, 9.68it/s] 79it [00:08, 9.69it/s] 80it [00:08, 9.72it/s] 81it [00:08, 9.75it/s] 82it [00:08, 9.72it/s] 83it [00:08, 9.73it/s] 84it [00:08, 9.74it/s] 85it [00:08, 9.75it/s] 86it [00:08, 9.72it/s] 87it [00:08, 9.74it/s] 88it [00:09, 9.77it/s] 89it [00:09, 9.74it/s] 90it [00:09, 9.74it/s] 91it [00:09, 9.73it/s] 92it [00:09, 9.69it/s] 93it [00:09, 9.70it/s] 94it [00:09, 9.71it/s] 95it [00:09, 9.72it/s] 96it [00:09, 9.74it/s] 97it [00:10, 9.75it/s] 98it [00:10, 9.70it/s] 99it [00:10, 9.70it/s] 100it [00:10, 9.72it/s] 101it [00:10, 9.76it/s] 102it [00:10, 9.72it/s] 103it [00:10, 9.72it/s] 104it [00:10, 9.73it/s] 105it [00:10, 9.69it/s] 106it [00:10, 9.74it/s] 107it [00:11, 9.71it/s] 108it [00:11, 9.72it/s] 109it [00:11, 9.69it/s] 110it [00:11, 9.72it/s] 111it [00:11, 9.74it/s] 112it [00:11, 9.76it/s] 113it [00:11, 9.77it/s] 114it [00:11, 9.73it/s] 115it [00:11, 9.73it/s] 116it [00:11, 9.75it/s] 117it [00:12, 9.72it/s] 118it [00:12, 9.72it/s] 119it [00:12, 9.75it/s] 120it [00:12, 9.73it/s] 121it [00:12, 9.74it/s] 122it [00:12, 9.70it/s] 123it [00:12, 9.71it/s] 124it [00:12, 9.71it/s] 125it [00:12, 9.68it/s] 126it [00:13, 9.69it/s] 127it [00:13, 9.64it/s] 128it [00:13, 9.64it/s] 129it [00:13, 9.64it/s] 130it [00:13, 9.68it/s] 131it [00:13, 9.71it/s] 132it [00:13, 9.73it/s] 133it [00:13, 9.70it/s] 134it [00:13, 9.69it/s] 135it [00:13, 9.70it/s] 136it [00:14, 9.60it/s] 137it [00:14, 9.61it/s] 138it [00:14, 9.65it/s] 139it [00:14, 9.61it/s] 140it [00:14, 9.64it/s] 141it [00:14, 9.66it/s] 142it [00:14, 9.67it/s] 143it [00:14, 9.62it/s] 144it [00:14, 9.64it/s] 145it [00:14, 9.67it/s] 146it [00:15, 9.64it/s] 147it [00:15, 9.63it/s] 148it [00:15, 9.63it/s] 149it [00:15, 9.65it/s] 150it [00:15, 9.67it/s] 151it [00:15, 9.70it/s] 152it [00:15, 9.65it/s] 153it [00:15, 9.67it/s] 154it [00:15, 9.67it/s] 155it [00:16, 9.70it/s] 156it [00:16, 9.66it/s] 157it [00:16, 9.66it/s] 158it [00:16, 9.69it/s] 159it [00:16, 9.71it/s] 160it [00:16, 9.68it/s] 161it [00:16, 9.69it/s] 162it [00:16, 9.71it/s] 163it [00:16, 9.71it/s] 164it [00:16, 9.69it/s] 165it [00:17, 9.70it/s] 166it [00:17, 9.70it/s] 167it [00:17, 9.70it/s] 168it [00:17, 9.72it/s] 169it [00:17, 9.69it/s] 170it [00:17, 9.71it/s] 171it [00:17, 9.72it/s] 172it [00:17, 9.70it/s] 173it [00:17, 9.72it/s] 174it [00:17, 9.74it/s] 175it [00:18, 9.76it/s] 176it [00:18, 9.76it/s] 177it [00:18, 9.77it/s] 178it [00:18, 9.72it/s] 179it [00:18, 9.74it/s] 180it [00:18, 9.75it/s] 181it [00:18, 9.76it/s] 182it [00:18, 9.76it/s] 183it [00:18, 9.73it/s] 184it [00:18, 9.72it/s] 185it [00:19, 9.74it/s] 186it [00:19, 9.69it/s] 187it [00:19, 9.71it/s] 188it [00:19, 9.70it/s] 189it [00:19, 9.73it/s] 190it [00:19, 9.73it/s] 191it [00:19, 9.70it/s] 192it [00:19, 9.70it/s] 193it [00:19, 9.73it/s] 194it [00:20, 9.73it/s] 195it [00:20, 9.71it/s] 196it [00:20, 9.73it/s] 197it [00:20, 9.76it/s] 198it [00:20, 9.72it/s] 199it [00:20, 9.72it/s] 200it [00:20, 9.74it/s] 201it [00:20, 9.74it/s] 202it [00:20, 9.75it/s] 203it [00:20, 9.72it/s] 204it [00:21, 9.72it/s] 205it [00:21, 9.75it/s] 206it [00:21, 9.77it/s] 207it [00:21, 9.71it/s] 208it [00:21, 9.71it/s] 209it [00:21, 9.73it/s] 210it [00:21, 9.71it/s] 211it [00:21, 9.71it/s] 212it [00:21, 9.74it/s] 213it [00:21, 9.77it/s] 214it [00:22, 9.76it/s] 215it [00:22, 9.72it/s] 216it [00:22, 9.68it/s] 217it [00:22, 9.71it/s] 218it [00:22, 9.73it/s] 219it [00:22, 9.70it/s] 220it [00:22, 9.72it/s] 221it [00:22, 9.72it/s] 222it [00:22, 9.74it/s] 223it [00:23, 9.69it/s] 224it [00:23, 9.71it/s] 225it [00:23, 9.73it/s] 226it [00:23, 9.76it/s] 227it [00:23, 9.73it/s] 228it [00:23, 9.73it/s] 229it [00:23, 9.72it/s] 230it [00:23, 9.73it/s] 231it [00:23, 9.72it/s] 232it [00:23, 9.71it/s] 233it [00:24, 9.71it/s] 234it [00:24, 9.73it/s] 235it [00:24, 9.68it/s] 236it [00:24, 9.68it/s] 237it [00:24, 9.66it/s] 238it [00:24, 9.69it/s] 239it [00:24, 9.65it/s] 240it [00:24, 9.64it/s] 241it [00:24, 9.66it/s] 242it [00:24, 9.65it/s] 243it [00:25, 9.65it/s] 244it [00:25, 9.64it/s] 245it [00:25, 9.67it/s] 246it [00:25, 9.65it/s] 247it [00:25, 9.64it/s] 248it [00:25, 9.66it/s] 249it [00:25, 9.68it/s] 250it [00:25, 9.69it/s] 251it [00:25, 9.67it/s] 252it [00:26, 9.68it/s] 253it [00:26, 9.67it/s] 254it [00:26, 9.69it/s] 255it [00:26, 9.71it/s] 256it [00:26, 9.75it/s] 257it [00:26, 9.70it/s] 258it [00:26, 9.70it/s] 259it [00:26, 9.73it/s] 260it [00:26, 9.76it/s] 261it [00:26, 9.74it/s] 262it [00:27, 9.73it/s] 263it [00:27, 9.72it/s] 264it [00:27, 9.69it/s] 265it [00:27, 9.70it/s] 266it [00:27, 9.72it/s] 267it [00:27, 9.69it/s] 268it [00:27, 9.69it/s] 269it [00:27, 9.67it/s] 270it [00:27, 9.70it/s] 271it [00:27, 9.72it/s] 272it [00:28, 9.76it/s] 273it [00:28, 9.72it/s] 274it [00:28, 9.72it/s] 275it [00:28, 9.73it/s] 276it [00:28, 9.68it/s] 277it [00:28, 9.75it/s] 278it [00:28, 9.71it/s] 279it [00:28, 9.72it/s] 280it [00:28, 9.68it/s] 281it [00:28, 9.68it/s] 282it [00:29, 9.70it/s] 283it [00:29, 9.72it/s] 284it [00:29, 9.70it/s] 285it [00:29, 9.71it/s] 286it [00:29, 9.68it/s] 287it [00:29, 9.70it/s] 288it [00:29, 9.72it/s] 289it [00:29, 9.72it/s] 290it [00:29, 9.71it/s] 291it [00:30, 9.73it/s] 292it [00:30, 9.75it/s] 293it [00:30, 9.77it/s] 294it [00:30, 9.79it/s] 295it [00:30, 9.75it/s] 296it [00:30, 9.74it/s] 297it [00:30, 9.76it/s] 298it [00:30, 9.72it/s] 299it [00:30, 9.72it/s] 300it [00:30, 9.70it/s] 301it [00:31, 9.66it/s] 302it [00:31, 9.74it/s] 303it [00:31, 9.70it/s] 304it [00:31, 9.72it/s] 305it [00:31, 9.68it/s] 306it [00:31, 9.69it/s] 307it [00:31, 9.70it/s] 308it [00:31, 9.70it/s] 309it [00:31, 9.66it/s] 310it [00:31, 9.67it/s] 311it [00:32, 9.68it/s] 312it [00:32, 9.71it/s] 313it [00:32, 9.75it/s] 314it [00:32, 9.74it/s] 315it [00:32, 9.74it/s] 316it [00:32, 9.76it/s] 317it [00:32, 9.73it/s] 318it [00:32, 9.72it/s] 319it [00:32, 9.76it/s] 320it [00:32, 9.76it/s] 321it [00:33, 9.75it/s] 322it [00:33, 9.72it/s] 323it [00:33, 9.72it/s] 324it [00:33, 9.73it/s] 325it [00:33, 9.68it/s] 326it [00:33, 9.69it/s] 327it [00:33, 9.71it/s] 328it [00:33, 9.73it/s] 329it [00:33, 9.72it/s] 330it [00:34, 9.69it/s] 331it [00:34, 9.69it/s] 332it [00:34, 9.69it/s] 333it [00:34, 9.65it/s] 334it 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[01:42, 9.73it/s] 999it [01:42, 9.74it/s] 1000it [01:43, 9.71it/s] 1000it [01:43, 9.70it/s] Split counts: train: 674000 test: 164000 validation: 162000 ⏰ Completed process in 8:20:18.364455 ++ date + echo 'Sat 2 Nov 00:15:47 GMT 2024 :: 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-10000000-11000000.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-10000000-11000000.csv.gz + split_dir=20241101_peptides_6-12x100M/train ++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-10000000-11000000.csv.gz .csv.gz + split_file=20241101_peptides_6-12x100M/train/peptides_length-10_n-100000000_slice-10000000-11000000.csv.gz + mkdir -p 20241101_peptides_6-12x100M/train ++ date + echo 'Sat 2 Nov 00:15:47 GMT 2024 :: Saving train...' Sat 2 Nov 00:15:47 GMT 2024 :: Saving train... + zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-10000000-11000000.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 00:16:44 GMT 2024 :: 20241101_peptides_6-12x100M/train/peptides_length-10_n-100000000_slice-10000000-11000000.csv.gz' + for split in train test validation ++ dirname 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-10000000-11000000.csv.gz + split_dir=20241101_peptides_6-12x100M/test ++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-10000000-11000000.csv.gz .csv.gz + split_file=20241101_peptides_6-12x100M/test/peptides_length-10_n-100000000_slice-10000000-11000000.csv.gz + mkdir -p 20241101_peptides_6-12x100M/test ++ date + echo 'Sat 2 Nov 00:16:44 GMT 2024 :: Saving test...' Sat 2 Nov 00:16:44 GMT 2024 :: Saving test... + zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-10000000-11000000.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 00:17:09 GMT 2024 :: 20241101_peptides_6-12x100M/test/peptides_length-10_n-100000000_slice-10000000-11000000.csv.gz' + for split in train test validation ++ dirname 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-10000000-11000000.csv.gz + split_dir=20241101_peptides_6-12x100M/validation ++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-10000000-11000000.csv.gz .csv.gz + split_file=20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-10000000-11000000.csv.gz + mkdir -p 20241101_peptides_6-12x100M/validation ++ date + echo 'Sat 2 Nov 00:17:09 GMT 2024 :: Saving validation...' Sat 2 Nov 00:17:09 GMT 2024 :: Saving validation... + zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-10000000-11000000.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 00:17:34 GMT 2024 :: 20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-10000000-11000000.csv.gz' + '[' -e 20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-10000000-11000000.csv.gz.success ']' + rm 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-10000000-11000000.csv.gz 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-10000000-11000000.csv.gz.success + set +x Sat 2 Nov 00:17:34 GMT 2024 > Peptide generation complete