Fri 1 Nov 16:01:17 GMT 2024 > Generating peptides on cn050 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 16:01:17 GMT 2024 > Running /camp/apps/eb/software/Anaconda3/2023.03/bin/python : Python 3.10.10 Fri 1 Nov 16:01:18 GMT 2024 > Using Conda from . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Fri 1 Nov 16:01:18 GMT 2024 > Seed = 1; length = 10; max. number = 100000000; slice = 46000000 to 47000000; output dir. = 20241101_peptides_6-12x100M Fri 1 Nov 16:01:18 GMT 2024 > There are 10240000000000 peptides of length 10; generating 100000000 (0.000976563 %) Fri 1 Nov 16:01:18 GMT 2024 > Saving a slice to 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-46000000-47000000.csv.gz... + schemist enumerate --seed 1 --max-length 10 --prefix GY --suffix CGSGSGS --number 9.76563e-06 --slice 46000000 47000000 + schemist convert --column cysteine_to_N_cyclization --to id inchikey scaffold mwt clogp tpsa --prefix cyclic_ --options prefix=SCB- + gzip --best + schemist react --column SMILES --reaction cysteine_to_N_cyclization + schemist split --type random --train 0.7 --test 0.15 --column cysteine_to_N_cyclization --seed 1 + tr ' ' , + schemist convert --column SMILES --to id inchikey scaffold mwt clogp tpsa --prefix linear_ --options prefix=SCB- 🚀 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: 🚀 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: 🚀 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: ['46000000', '47000000'] 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. 0it [00:00, ?it/s] 1it [01:20, 80.32s/it] 2it [01:21, 33.59s/it] 3it [01:22, 18.66s/it] 4it [01:22, 11.64s/it] 5it [01:23, 7.76s/it] 6it [01:24, 5.42s/it] 7it [01:25, 3.94s/it] 8it [01:26, 2.96s/it] 9it [01:27, 2.31s/it] 10it [01:28, 1.87s/it] 11it [01:29, 1.56s/it] 12it [01:29, 1.35s/it] 13it [01:30, 1.21s/it] 14it [01:31, 1.11s/it] 15it [01:32, 1.04s/it] 16it [01:33, 1.01it/s] 17it [01:34, 1.04it/s] 18it [01:35, 1.07it/s] 19it [01:36, 1.09it/s] 20it [01:37, 1.10it/s] 21it [01:37, 1.12it/s] 22it [01:38, 1.12it/s] 23it [01:39, 1.12it/s] 24it [01:40, 1.12it/s] 25it [01:41, 1.12it/s] 26it [01:42, 1.12it/s] 27it [01:43, 1.12it/s] 28it [01:44, 1.11it/s] 29it [01:45, 1.12it/s] 30it [01:45, 1.12it/s] 31it [01:46, 1.12it/s] 32it [01:47, 1.12it/s] 33it [01:48, 1.12it/s] 34it [01:49, 1.12it/s] 35it [01:50, 1.12it/s] 36it [01:51, 1.12it/s] 37it 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[14:32, 1.12it/s] 871it [14:33, 1.12it/s] 872it [14:34, 1.12it/s] 873it [14:35, 1.12it/s] 874it [14:36, 1.12it/s] 875it [14:37, 1.12it/s] 876it [14:38, 1.11it/s] 877it [14:39, 1.12it/s] 878it [14:40, 1.12it/s] 879it [14:40, 1.12it/s] 880it [14:41, 1.11it/s] 881it [14:42, 1.12it/s] 882it [14:43, 1.12it/s] 883it [14:44, 1.11it/s] 884it [14:45, 1.11it/s] 885it [14:46, 1.11it/s] 886it [14:47, 1.11it/s] 887it [14:48, 1.10it/s] 888it [14:49, 1.11it/s] 889it [14:49, 1.11it/s] 890it [14:50, 1.11it/s] 891it [14:51, 1.11it/s] 892it [14:52, 1.12it/s] 893it [14:53, 1.12it/s] 894it [14:54, 1.11it/s] 895it [14:55, 1.11it/s] 896it [14:56, 1.11it/s] 897it [14:57, 1.11it/s] 898it [14:58, 1.11it/s] 899it [14:58, 1.11it/s] 900it [14:59, 1.11it/s] 901it [15:00, 1.11it/s] 902it [15:01, 1.11it/s] 903it [15:02, 1.11it/s] 904it [15:03, 1.11it/s] 905it [15:04, 1.11it/s] 906it [15:05, 1.11it/s] 907it [15:06, 1.11it/s] 908it [15:07, 1.11it/s] 909it [15:07, 1.11it/s] 910it [15:08, 1.11it/s] 911it [15:09, 1.11it/s] 912it [15:10, 1.11it/s] 913it [15:11, 1.12it/s] 914it [15:12, 1.11it/s] 915it [15:13, 1.11it/s] 916it [15:14, 1.11it/s] 917it [15:15, 1.11it/s] 918it [15:16, 1.11it/s] 919it [15:16, 1.11it/s] 920it [15:17, 1.12it/s] 921it [15:18, 1.12it/s] 922it [15:19, 1.12it/s] 923it [15:20, 1.12it/s] 924it [15:21, 1.12it/s] 925it [15:22, 1.12it/s] 926it [15:23, 1.11it/s] 927it [15:24, 1.10it/s] 928it [15:25, 1.11it/s] 929it [15:25, 1.11it/s] 930it [15:26, 1.11it/s] 931it [15:27, 1.11it/s] 932it [15:28, 1.11it/s] 933it [15:29, 1.11it/s] 934it [15:30, 1.11it/s] 935it [15:31, 1.11it/s] 936it [15:32, 1.11it/s] 937it [15:33, 1.11it/s] 938it [15:34, 1.11it/s] 939it [15:34, 1.11it/s] 940it [15:35, 1.11it/s] 941it [15:36, 1.11it/s] 942it [15:37, 1.11it/s] 943it [15:38, 1.12it/s] 944it [15:39, 1.12it/s] 945it [15:40, 1.12it/s] 946it [15:41, 1.12it/s] 947it [15:42, 1.11it/s] 948it [15:43, 1.11it/s] 949it [15:43, 1.12it/s] 950it [15:44, 1.12it/s] 951it [15:45, 1.11it/s] 952it [15:46, 1.12it/s] 953it [15:47, 1.12it/s] 954it [15:48, 1.12it/s] 955it [15:49, 1.12it/s] 956it [15:50, 1.11it/s] 957it [15:51, 1.12it/s] 958it [15:51, 1.12it/s] 959it [15:52, 1.11it/s] 960it [15:53, 1.11it/s] 961it [15:54, 1.11it/s] 962it [15:55, 1.11it/s] 963it [15:56, 1.12it/s] 964it [15:57, 1.11it/s] 965it [15:58, 1.12it/s] 966it [15:59, 1.12it/s] 967it [16:00, 1.11it/s] 968it [16:00, 1.12it/s] 969it [16:01, 1.12it/s] 970it [16:02, 1.11it/s] 971it [16:03, 1.11it/s] 972it [16:04, 1.11it/s] 973it [16:05, 1.11it/s] 974it [16:06, 1.11it/s] 975it [16:07, 1.11it/s] 976it [16:08, 1.11it/s] 977it [16:09, 1.11it/s] 978it [16:09, 1.12it/s] 979it [16:10, 1.12it/s] 980it [16:11, 1.12it/s] 981it [16:12, 1.12it/s] 982it [16:13, 1.11it/s] 983it [16:14, 1.11it/s] 984it [16:15, 1.11it/s] 985it [16:16, 1.11it/s] 986it [16:17, 1.11it/s] 987it [16:17, 1.12it/s] 988it [16:18, 1.12it/s] 989it [16:19, 1.11it/s] 990it [16:20, 1.11it/s] 991it [16:21, 1.12it/s] 992it [16:22, 1.11it/s] 993it [16:23, 1.11it/s] 994it [16:24, 1.10it/s] 995it [16:25, 1.11it/s] 996it [16:26, 1.11it/s] 997it [16:27, 1.11it/s] 998it [16:27, 1.11it/s] 999it [16:28, 1.12it/s] 1000it [16:29, 1.12it/s] 1000it [16:29, 1.01it/s] Enumerated peptides: Number of peptides: 1000000 Conversion errors: SMILES: 0 ⏰ Completed process in 0:16:29.691147 0it [00:00, ?it/s] 1it [00:10, 10.21s/it] 2it [00:20, 10.15s/it] 3it [00:30, 10.16s/it] 4it [00:40, 10.15s/it] 5it [00:50, 10.13s/it] 6it [01:00, 10.11s/it] 7it [01:10, 10.08s/it] 8it [01:20, 10.08s/it] 9it [01:30, 10.07s/it] 10it [01:40, 10.06s/it] 11it [01:51, 10.07s/it] 12it [02:01, 10.04s/it] 13it [02:11, 10.04s/it] 14it [02:21, 10.02s/it] 15it [02:30, 9.99s/it] 16it [02:41, 10.01s/it] 17it [02:51, 10.02s/it] 18it [03:01, 10.03s/it] 19it [03:11, 10.03s/it] 20it [03:21, 10.01s/it] 21it [03:31, 10.02s/it] 22it [03:41, 10.02s/it] 23it [03:51, 10.03s/it] 24it [04:01, 10.03s/it] 25it [04:11, 10.03s/it] 26it [04:21, 10.06s/it] 27it [04:31, 10.07s/it] 28it [04:41, 10.06s/it] 29it [04:51, 10.05s/it] 30it [05:01, 10.05s/it] 31it [05:11, 10.04s/it] 32it [05:21, 10.04s/it] 33it [05:31, 10.05s/it] 34it [05:41, 10.05s/it] 35it [05:51, 10.04s/it] 36it [06:01, 10.03s/it] 37it [06:11, 10.04s/it] 38it [06:21, 10.02s/it] 39it [06:31, 10.04s/it] 40it [06:41, 10.04s/it] 41it [06:52, 10.04s/it] 42it [07:02, 10.04s/it] 43it [07:12, 10.05s/it] 44it [07:22, 10.04s/it] 45it [07:32, 10.06s/it] 46it [07:42, 10.21s/it] 47it [07:53, 10.48s/it] 48it [08:05, 10.76s/it] 49it [08:15, 10.59s/it] 50it [08:25, 10.45s/it] 51it [08:35, 10.37s/it] 52it [08:46, 10.32s/it] 53it [08:56, 10.29s/it] 54it [09:06, 10.26s/it] 55it [09:16, 10.28s/it] 56it [09:26, 10.26s/it] 57it [09:37, 10.25s/it] 58it [09:47, 10.23s/it] 59it [09:57, 10.22s/it] 60it [10:07, 10.22s/it] 61it [10:18, 10.23s/it] 62it [10:28, 10.26s/it] 63it [10:38, 10.22s/it] 64it [10:48, 10.25s/it] 65it [10:59, 10.23s/it] 66it [11:09, 10.21s/it] 67it [11:19, 10.20s/it] 68it [11:29, 10.19s/it] 69it [11:39, 10.21s/it] 70it [11:49, 10.20s/it] 71it [12:00, 10.20s/it] 72it [12:10, 10.22s/it] 73it [12:20, 10.22s/it] 74it [12:30, 10.23s/it] 75it [12:41, 10.25s/it] 76it [12:51, 10.21s/it] 77it [13:01, 10.21s/it] 78it [13:11, 10.20s/it] 79it [13:21, 10.21s/it] 80it [13:32, 10.22s/it] 81it [13:42, 10.26s/it] 82it [13:52, 10.27s/it] 83it [14:02, 10.24s/it] 84it [14:13, 10.20s/it] 85it [14:23, 10.19s/it] 86it [14:33, 10.19s/it] 87it [14:43, 10.19s/it] 88it [14:53, 10.18s/it] 89it [15:03, 10.18s/it] 90it [15:14, 10.20s/it] 91it [15:24, 10.18s/it] 92it [15:34, 10.20s/it] 93it [15:44, 10.25s/it] 94it [15:55, 10.23s/it] 95it [16:05, 10.20s/it] 96it [16:15, 10.21s/it] 97it [16:25, 10.22s/it] 98it [16:36, 10.25s/it] 99it [16:46, 10.23s/it] 100it [16:56, 10.22s/it] 101it [17:06, 10.19s/it] 102it [17:16, 10.18s/it] 103it [17:26, 10.14s/it] 104it [17:36, 10.13s/it] 105it [17:47, 10.16s/it] 106it [17:57, 10.16s/it] 107it [18:07, 10.14s/it] 108it [18:17, 10.14s/it] 109it [18:27, 10.14s/it] 110it [18:37, 10.18s/it] 111it [18:48, 10.21s/it] 112it [18:58, 10.23s/it] 113it [19:08, 10.22s/it] 114it [19:18, 10.23s/it] 115it [19:29, 10.21s/it] 116it [19:39, 10.21s/it] 117it [19:49, 10.18s/it] 118it [19:59, 10.17s/it] 119it [20:09, 10.17s/it] 120it [20:19, 10.14s/it] 121it [20:29, 10.13s/it] 122it [20:39, 10.12s/it] 123it [20:50, 10.12s/it] 124it [21:00, 10.15s/it] 125it [21:10, 10.17s/it] 126it [21:20, 10.16s/it] 127it [21:30, 10.16s/it] 128it [21:41, 10.17s/it] 129it [21:51, 10.18s/it] 130it [22:01, 10.18s/it] 131it [22:11, 10.19s/it] 132it [22:21, 10.21s/it] 133it [22:32, 10.21s/it] 134it [22:42, 10.18s/it] 135it [22:52, 10.15s/it] 136it [23:02, 10.15s/it] 137it [23:12, 10.16s/it] 138it [23:22, 10.18s/it] 139it [23:33, 10.18s/it] 140it [23:43, 10.15s/it] 141it [23:53, 10.14s/it] 142it [24:03, 10.16s/it] 143it [24:13, 10.16s/it] 144it [24:23, 10.18s/it] 145it [24:34, 10.19s/it] 146it [24:44, 10.21s/it] 147it [24:54, 10.21s/it] 148it [25:04, 10.21s/it] 149it [25:14, 10.20s/it] 150it [25:25, 10.19s/it] 151it [25:35, 10.16s/it] 152it [25:45, 10.15s/it] 153it [25:55, 10.13s/it] 154it [26:05, 10.14s/it] 155it [26:15, 10.16s/it] 156it [26:25, 10.16s/it] 157it [26:36, 10.18s/it] 158it [26:46, 10.17s/it] 159it [26:56, 10.16s/it] 160it [27:06, 10.18s/it] 161it [27:16, 10.19s/it] 162it [27:27, 10.18s/it] 163it [27:37, 10.17s/it] 164it [27:47, 10.15s/it] 165it [27:57, 10.19s/it] 166it [28:07, 10.20s/it] 167it [28:17, 10.18s/it] 168it [28:28, 10.19s/it] 169it [28:38, 10.16s/it] 170it [28:48, 10.14s/it] 171it [28:58, 10.13s/it] 172it [29:08, 10.15s/it] 173it [29:18, 10.14s/it] 174it [29:28, 10.17s/it] 175it [29:39, 10.18s/it] 176it [29:49, 10.15s/it] 177it [29:59, 10.14s/it] 178it [30:09, 10.15s/it] 179it [30:19, 10.16s/it] 180it [30:29, 10.19s/it] 181it [30:40, 10.21s/it] 182it [30:50, 10.22s/it] 183it [31:00, 10.21s/it] 184it [31:10, 10.18s/it] 185it [31:20, 10.15s/it] 186it [31:30, 10.14s/it] 187it [31:41, 10.15s/it] 188it [31:51, 10.18s/it] 189it [32:01, 10.15s/it] 190it [32:11, 10.13s/it] 191it [32:21, 10.14s/it] 192it [32:31, 10.13s/it] 193it [32:41, 10.13s/it] 194it [32:52, 10.13s/it] 195it [33:02, 10.13s/it] 196it [33:12, 10.15s/it] 197it [33:22, 10.17s/it] 198it [33:32, 10.17s/it] 199it [33:42, 10.17s/it] 200it [33:53, 10.20s/it] 201it [34:03, 10.19s/it] 202it [34:13, 10.17s/it] 203it [34:23, 10.14s/it] 204it [34:33, 10.15s/it] 205it [34:43, 10.14s/it] 206it [34:54, 10.22s/it] 207it [35:05, 10.39s/it] 208it [35:16, 10.59s/it] 209it [35:26, 10.62s/it] 210it [35:37, 10.75s/it] 211it [35:49, 10.88s/it] 212it [36:00, 11.00s/it] 213it [36:11, 11.06s/it] 214it [36:22, 11.07s/it] 215it [36:33, 11.06s/it] 216it [36:44, 11.00s/it] 217it [36:56, 11.17s/it] 218it [37:07, 11.31s/it] 219it [37:19, 11.37s/it] 220it [37:30, 11.44s/it] 221it [37:42, 11.48s/it] 222it [37:53, 11.48s/it] 223it [38:05, 11.47s/it] 224it [38:16, 11.51s/it] 225it [38:28, 11.54s/it] 226it [38:39, 11.49s/it] 227it [38:51, 11.47s/it] 228it [39:02, 11.47s/it] 229it [39:14, 11.47s/it] 230it [39:25, 11.48s/it] 231it [39:37, 11.46s/it] 232it [39:48, 11.46s/it] 233it [40:00, 11.44s/it] 234it [40:11, 11.48s/it] 235it [40:23, 11.51s/it] 236it [40:34, 11.49s/it] 237it [40:46, 11.49s/it] 238it [40:57, 11.49s/it] 239it [41:09, 11.51s/it] 240it [41:20, 11.52s/it] 241it [41:32, 11.54s/it] 242it [41:43, 11.52s/it] 243it [41:55, 11.55s/it] 244it [42:06, 11.51s/it] 245it [42:18, 11.53s/it] 246it [42:29, 11.53s/it] 247it [42:41, 11.52s/it] 248it [42:52, 11.51s/it] 249it [43:04, 11.52s/it] 250it [43:16, 11.52s/it] 251it [43:27, 11.52s/it] 252it [43:39, 11.53s/it] 253it [43:50, 11.52s/it] 254it [44:02, 11.53s/it] 255it [44:13, 11.52s/it] 256it [44:25, 11.50s/it] 257it [44:36, 11.49s/it] 258it [44:47, 11.47s/it] 259it [44:59, 11.43s/it] 260it [45:10, 11.44s/it] 261it [45:22, 11.45s/it] 262it [45:33, 11.47s/it] 263it [45:45, 11.51s/it] 264it [45:56, 11.49s/it] 265it [46:08, 11.50s/it] 266it [46:19, 11.52s/it] 267it [46:31, 11.53s/it] 268it [46:43, 11.56s/it] 269it [46:54, 11.53s/it] 270it [47:05, 11.47s/it] 271it [47:17, 11.46s/it] 272it [47:28, 11.47s/it] 273it [47:40, 11.50s/it] 274it [47:51, 11.46s/it] 275it [48:03, 11.46s/it] 276it [48:14, 11.49s/it] 277it [48:26, 11.52s/it] 278it [48:37, 11.53s/it] 279it [48:49, 11.50s/it] 280it [49:00, 11.52s/it] 281it [49:12, 11.51s/it] 282it [49:24, 11.56s/it] 283it [49:35, 11.57s/it] 284it [49:47, 11.55s/it] 285it [49:58, 11.57s/it] 286it [50:10, 11.51s/it] 287it [50:21, 11.55s/it] 288it [50:33, 11.53s/it] 289it [50:44, 11.54s/it] 290it [50:56, 11.50s/it] 291it [51:07, 11.48s/it] 292it [51:19, 11.49s/it] 293it [51:30, 11.48s/it] 294it [51:42, 11.47s/it] 295it [51:53, 11.50s/it] 296it [52:05, 11.51s/it] 297it [52:16, 11.51s/it] 298it [52:28, 11.52s/it] 299it [52:39, 11.51s/it] 300it [52:51, 11.50s/it] 301it [53:02, 11.53s/it] 302it [53:14, 11.49s/it] 303it [53:25, 11.51s/it] 304it [53:37, 11.48s/it] 305it [53:48, 11.51s/it] 306it [54:00, 11.51s/it] 307it [54:11, 11.55s/it] 308it [54:23, 11.53s/it] 309it [54:34, 11.55s/it] 310it [54:46, 11.54s/it] 311it [54:58, 11.61s/it] 312it [55:09, 11.62s/it] 313it [55:21, 11.58s/it] 314it [55:32, 11.56s/it] 315it [55:44, 11.55s/it] 316it [55:55, 11.53s/it] 317it [56:07, 11.54s/it] 318it [56:18, 11.52s/it] 319it [56:30, 11.47s/it] 320it [56:41, 11.44s/it] 321it [56:53, 11.46s/it] 322it [57:04, 11.44s/it] 323it [57:16, 11.44s/it] 324it [57:27, 11.48s/it] 325it [57:39, 11.51s/it] 326it [57:50, 11.48s/it] 327it [58:02, 11.47s/it] 328it [58:13, 11.50s/it] 329it [58:25, 11.50s/it] 330it [58:36, 11.53s/it] 331it [58:48, 11.54s/it] 332it [58:59, 11.56s/it] 333it [59:11, 11.58s/it] 334it [59:22, 11.53s/it] 335it [59:34, 11.52s/it] 336it [59:45, 11.52s/it] 337it [59:57, 11.52s/it] 338it [1:00:08, 11.50s/it] 339it [1:00:20, 11.49s/it] 340it [1:00:31, 11.49s/it] 341it [1:00:43, 11.50s/it] 342it [1:00:54, 11.54s/it] 343it [1:01:06, 11.50s/it] 344it [1:01:17, 11.52s/it] 345it [1:01:29, 11.51s/it] 346it [1:01:41, 11.52s/it] 347it [1:01:52, 11.52s/it] 348it [1:02:03, 11.50s/it] 349it [1:02:15, 11.50s/it] 350it [1:02:26, 11.50s/it] 351it [1:02:38, 11.48s/it] 352it [1:02:49, 11.49s/it] 353it [1:03:01, 11.52s/it] 354it [1:03:13, 11.53s/it] 355it [1:03:24, 11.53s/it] 356it [1:03:36, 11.52s/it] 357it [1:03:47, 11.50s/it] 358it [1:03:59, 11.52s/it] 359it [1:04:10, 11.51s/it] 360it [1:04:22, 11.52s/it] 361it [1:04:33, 11.54s/it] 362it [1:04:45, 11.55s/it] 363it [1:04:56, 11.55s/it] 364it [1:05:08, 11.57s/it] 365it [1:05:19, 11.53s/it] 366it [1:05:31, 11.52s/it] 367it [1:05:42, 11.51s/it] 368it [1:05:54, 11.51s/it] 369it [1:06:06, 11.54s/it] 370it [1:06:17, 11.53s/it] 371it [1:06:29, 11.53s/it] 372it [1:06:40, 11.54s/it] 373it [1:06:52, 11.51s/it] 374it [1:07:03, 11.54s/it] 375it [1:07:15, 11.50s/it] 376it [1:07:26, 11.52s/it] 377it [1:07:38, 11.50s/it] 378it [1:07:49, 11.51s/it] 379it [1:08:01, 11.51s/it] 380it [1:08:12, 11.51s/it] 381it [1:08:24, 11.47s/it] 382it [1:08:35, 11.46s/it] 383it [1:08:47, 11.49s/it] 384it [1:08:58, 11.49s/it] 385it [1:09:10, 11.49s/it] 386it [1:09:21, 11.41s/it] 387it [1:09:32, 11.42s/it] 388it 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[2:38:57, 13.82s/it] 833it [2:39:09, 13.56s/it] 834it [2:39:23, 13.48s/it] 835it [2:39:36, 13.38s/it] 836it [2:39:49, 13.23s/it] 837it [2:40:02, 13.12s/it] 838it [2:40:15, 13.18s/it] 839it [2:40:28, 13.24s/it] 840it [2:40:42, 13.33s/it] 841it [2:40:55, 13.35s/it] 842it [2:41:09, 13.31s/it] 843it [2:41:23, 13.54s/it] 844it [2:41:37, 13.95s/it] 845it [2:41:53, 14.41s/it] 846it [2:42:07, 14.40s/it] 847it [2:42:21, 14.05s/it] 848it [2:42:34, 14.01s/it] 849it [2:42:48, 13.80s/it] 850it [2:43:01, 13.53s/it] 851it [2:43:14, 13.34s/it] 852it [2:43:27, 13.27s/it] 853it [2:43:40, 13.25s/it] 854it [2:43:53, 13.19s/it] 855it [2:44:06, 13.18s/it] 856it [2:44:20, 13.46s/it] 857it [2:44:35, 13.82s/it] 858it [2:44:50, 14.30s/it] 859it [2:45:03, 13.88s/it] 860it [2:45:16, 13.70s/it] 861it [2:45:30, 13.61s/it] 862it [2:45:43, 13.54s/it] 863it [2:45:56, 13.44s/it] 864it [2:46:09, 13.20s/it] 865it [2:46:23, 13.39s/it] 866it [2:46:37, 13.46s/it] 867it [2:46:50, 13.49s/it] 868it [2:47:03, 13.45s/it] 869it [2:47:17, 13.57s/it] 870it [2:47:31, 13.58s/it] 871it [2:47:45, 13.65s/it] 872it [2:47:58, 13.57s/it] 873it [2:48:12, 13.52s/it] 874it [2:48:25, 13.53s/it] 875it [2:48:39, 13.56s/it] 876it [2:48:52, 13.54s/it] 877it [2:49:06, 13.59s/it] 878it [2:49:20, 13.62s/it] 879it [2:49:33, 13.63s/it] 880it [2:49:47, 13.62s/it] 881it [2:50:01, 13.66s/it] 882it [2:50:14, 13.71s/it] 883it [2:50:29, 13.93s/it] 884it [2:50:43, 13.86s/it] 885it [2:50:56, 13.81s/it] 886it [2:51:10, 13.80s/it] 887it [2:51:24, 13.81s/it] 888it [2:51:38, 13.80s/it] 889it [2:51:51, 13.79s/it] 890it [2:52:05, 13.71s/it] 891it [2:52:19, 13.74s/it] 892it [2:52:33, 13.79s/it] 893it [2:52:47, 13.80s/it] 894it [2:53:00, 13.77s/it] 895it [2:53:14, 13.70s/it] 896it [2:53:28, 13.74s/it] 897it [2:53:41, 13.71s/it] 898it [2:53:54, 13.45s/it] 899it [2:54:08, 13.47s/it] 900it [2:54:21, 13.58s/it] 901it [2:54:35, 13.65s/it] 902it [2:54:49, 13.65s/it] 903it [2:55:02, 13.63s/it] 904it [2:55:16, 13.54s/it] 905it [2:55:29, 13.54s/it] 906it [2:55:43, 13.60s/it] 907it [2:55:57, 13.59s/it] 908it [2:56:10, 13.51s/it] 909it [2:56:23, 13.48s/it] 910it [2:56:37, 13.45s/it] 911it [2:56:50, 13.50s/it] 912it [2:57:04, 13.52s/it] 913it [2:57:17, 13.37s/it] 914it [2:57:30, 13.29s/it] 915it [2:57:43, 13.24s/it] 916it [2:57:56, 13.24s/it] 917it [2:58:09, 13.19s/it] 918it [2:58:23, 13.16s/it] 919it [2:58:36, 13.18s/it] 920it [2:58:49, 13.21s/it] 921it [2:59:02, 13.22s/it] 922it [2:59:15, 13.13s/it] 923it [2:59:28, 13.14s/it] 924it [2:59:42, 13.16s/it] 925it [2:59:55, 13.23s/it] 926it [3:00:08, 13.19s/it] 927it [3:00:21, 13.21s/it] 928it [3:00:35, 13.31s/it] 929it [3:00:48, 13.20s/it] 930it [3:01:01, 13.21s/it] 931it [3:01:14, 13.22s/it] 932it [3:01:28, 13.27s/it] 933it [3:01:41, 13.31s/it] 934it [3:01:54, 13.23s/it] 935it [3:02:07, 13.14s/it] 936it [3:02:20, 13.03s/it] 937it [3:02:33, 12.97s/it] 938it [3:02:46, 12.97s/it] 939it [3:02:59, 13.04s/it] 940it [3:03:12, 13.12s/it] 941it [3:03:25, 13.10s/it] 942it [3:03:38, 13.07s/it] 943it [3:03:51, 13.04s/it] 944it [3:04:05, 13.18s/it] 945it [3:04:18, 13.23s/it] 946it [3:04:31, 13.15s/it] 947it [3:04:44, 13.13s/it] 948it [3:04:57, 13.21s/it] 949it [3:05:11, 13.28s/it] 950it [3:05:24, 13.24s/it] 951it [3:05:37, 13.15s/it] 952it [3:05:50, 13.15s/it] 953it [3:06:04, 13.25s/it] 954it [3:06:17, 13.22s/it] 955it [3:06:30, 13.17s/it] 956it [3:06:43, 13.14s/it] 957it [3:06:56, 13.24s/it] 958it [3:07:10, 13.25s/it] 959it [3:07:23, 13.16s/it] 960it [3:07:35, 12.98s/it] 961it [3:07:49, 13.08s/it] 962it [3:08:02, 13.16s/it] 963it [3:08:15, 13.10s/it] 964it [3:08:28, 13.08s/it] 965it [3:08:41, 13.06s/it] 966it [3:08:54, 13.13s/it] 967it [3:09:07, 13.10s/it] 968it [3:09:20, 13.01s/it] 969it [3:09:33, 13.01s/it] 970it [3:09:46, 13.08s/it] 971it [3:09:59, 13.08s/it] 972it [3:10:12, 13.05s/it] 973it [3:10:25, 13.02s/it] 974it [3:10:38, 13.01s/it] 975it [3:10:52, 13.13s/it] 976it [3:11:05, 13.11s/it] 977it [3:11:18, 13.05s/it] 978it [3:11:31, 13.04s/it] 979it [3:11:44, 13.07s/it] 980it [3:11:57, 13.08s/it] 981it [3:12:10, 12.99s/it] 982it [3:12:23, 13.04s/it] 983it [3:12:36, 13.04s/it] 984it [3:12:49, 13.08s/it] 985it [3:13:02, 13.08s/it] 986it [3:13:15, 13.15s/it] 987it [3:13:29, 13.18s/it] 988it [3:13:42, 13.12s/it] 989it [3:13:55, 13.12s/it] 990it [3:14:08, 13.11s/it] 991it [3:14:21, 13.20s/it] 992it [3:14:34, 13.12s/it] 993it [3:14:47, 13.10s/it] 994it [3:15:00, 13.09s/it] 995it [3:15:14, 13.20s/it] 996it [3:15:27, 13.11s/it] 997it [3:15:40, 13.15s/it] 998it [3:15:53, 13.26s/it] 999it [3:16:07, 13.28s/it] 1000it [3:16:20, 13.26s/it] 1000it [3:16:20, 11.78s/it] Error counts: linear_id: 0 linear_inchikey: 0 linear_scaffold: 0 linear_mwt: 0 linear_clogp: 0 linear_tpsa: 0 ⏰ Completed process in 3:32:50.782306 0it [00:00, ?it/s] 1it [00:11, 11.49s/it] 2it [00:22, 11.47s/it] 3it [00:34, 11.42s/it] 4it [00:45, 11.48s/it] 5it [00:57, 11.42s/it] 6it [01:08, 11.38s/it] 7it [01:19, 11.33s/it] 8it [01:31, 11.40s/it] 9it [01:42, 11.48s/it] 10it [01:54, 11.42s/it] 11it [02:05, 11.44s/it] 12it [02:16, 11.30s/it] 13it [02:28, 11.38s/it] 14it [02:39, 11.42s/it] 15it [02:50, 11.35s/it] 16it [03:02, 11.38s/it] 17it [03:13, 11.36s/it] 18it [03:25, 11.35s/it] 19it [03:36, 11.37s/it] 20it [03:47, 11.31s/it] 21it [03:58, 11.30s/it] 22it [04:10, 11.24s/it] 23it [04:21, 11.24s/it] 24it [04:32, 11.30s/it] 25it [04:43, 11.26s/it] 26it [04:55, 11.29s/it] 27it [05:06, 11.26s/it] 28it [05:17, 11.30s/it] 29it [05:29, 11.33s/it] 30it [05:40, 11.29s/it] 31it [05:51, 11.27s/it] 32it [06:02, 11.26s/it] 33it [06:14, 11.23s/it] 34it [06:25, 11.27s/it] 35it [06:36, 11.33s/it] 36it [06:48, 11.34s/it] 37it [06:59, 11.29s/it] 38it [07:10, 11.30s/it] 39it [07:22, 11.34s/it] 40it [07:33, 11.30s/it] 41it [07:44, 11.31s/it] 42it [07:55, 11.24s/it] 43it [08:06, 11.23s/it] 44it [08:18, 11.21s/it] 45it [08:29, 11.17s/it] 46it [08:40, 11.23s/it] 47it [08:51, 11.24s/it] 48it [09:03, 11.29s/it] 49it [09:14, 11.29s/it] 50it [09:25, 11.31s/it] 51it [09:37, 11.29s/it] 52it [09:48, 11.31s/it] 53it [09:59, 11.28s/it] 54it [10:10, 11.26s/it] 55it [10:22, 11.27s/it] 56it [10:32, 11.09s/it] 57it [10:44, 11.14s/it] 58it [10:55, 11.17s/it] 59it [11:06, 11.19s/it] 60it [11:17, 11.23s/it] 61it [11:29, 11.25s/it] 62it [11:40, 11.22s/it] 63it [11:51, 11.24s/it] 64it [12:02, 11.24s/it] 65it [12:14, 11.33s/it] 66it [12:25, 11.35s/it] 67it [12:37, 11.33s/it] 68it [12:48, 11.35s/it] 69it [12:59, 11.33s/it] 70it [13:11, 11.37s/it] 71it [13:22, 11.39s/it] 72it [13:34, 11.46s/it] 73it [13:45, 11.29s/it] 74it [13:56, 11.23s/it] 75it [14:07, 11.26s/it] 76it [14:19, 11.30s/it] 77it [14:30, 11.26s/it] 78it [14:41, 11.27s/it] 79it [14:52, 11.30s/it] 80it [15:04, 11.35s/it] 81it [15:15, 11.39s/it] 82it [15:27, 11.36s/it] 83it [15:38, 11.31s/it] 84it [15:49, 11.33s/it] 85it [16:00, 11.28s/it] 86it [16:12, 11.27s/it] 87it [16:23, 11.26s/it] 88it [16:34, 11.27s/it] 89it [16:46, 11.33s/it] 90it [16:57, 11.32s/it] 91it [17:08, 11.28s/it] 92it [17:19, 11.25s/it] 93it [17:30, 11.21s/it] 94it [17:42, 11.28s/it] 95it [17:53, 11.24s/it] 96it [18:04, 11.28s/it] 97it [18:16, 11.30s/it] 98it [18:27, 11.31s/it] 99it [18:38, 11.31s/it] 100it [18:50, 11.36s/it] 101it [19:02, 11.46s/it] 102it [19:13, 11.42s/it] 103it [19:24, 11.33s/it] 104it [19:35, 11.34s/it] 105it [19:47, 11.44s/it] 106it [19:59, 11.47s/it] 107it [20:10, 11.39s/it] 108it [20:21, 11.36s/it] 109it [20:32, 11.32s/it] 110it [20:44, 11.36s/it] 111it [20:55, 11.39s/it] 112it [21:07, 11.46s/it] 113it [21:18, 11.43s/it] 114it [21:29, 11.30s/it] 115it [21:40, 11.11s/it] 116it [21:50, 10.94s/it] 117it [22:01, 10.77s/it] 118it [22:11, 10.76s/it] 119it [22:23, 10.92s/it] 120it [22:34, 11.01s/it] 121it [22:45, 11.09s/it] 122it [22:57, 11.14s/it] 123it [23:08, 11.13s/it] 124it [23:19, 11.13s/it] 125it [23:30, 11.10s/it] 126it [23:41, 11.08s/it] 127it [23:52, 11.08s/it] 128it [24:03, 11.16s/it] 129it [24:15, 11.23s/it] 130it [24:26, 11.24s/it] 131it [24:37, 11.24s/it] 132it [24:49, 11.34s/it] 133it [25:00, 11.39s/it] 134it [25:10, 11.00s/it] 135it [25:19, 10.31s/it] 136it [25:28, 9.96s/it] 137it [25:38, 9.78s/it] 138it [25:47, 9.65s/it] 139it [25:56, 9.49s/it] 140it [26:05, 9.35s/it] 141it [26:14, 9.24s/it] 142it [26:23, 9.19s/it] 143it [26:32, 9.12s/it] 144it [26:41, 9.08s/it] 145it [26:50, 8.98s/it] 146it [26:58, 8.90s/it] 147it [27:07, 8.88s/it] 148it [27:16, 8.90s/it] 149it [27:25, 8.83s/it] 150it [27:34, 8.89s/it] 151it [27:43, 8.89s/it] 152it [27:52, 8.86s/it] 153it [28:00, 8.82s/it] 154it [28:09, 8.83s/it] 155it [28:18, 8.86s/it] 156it [28:27, 8.87s/it] 157it [28:36, 8.83s/it] 158it [28:45, 8.81s/it] 159it [28:53, 8.82s/it] 160it [29:02, 8.81s/it] 161it [29:11, 8.79s/it] 162it [29:19, 8.72s/it] 163it [29:28, 8.76s/it] 164it [29:37, 8.74s/it] 165it [29:46, 8.73s/it] 166it [29:55, 8.78s/it] 167it [30:03, 8.74s/it] 168it [30:12, 8.78s/it] 169it [30:21, 8.78s/it] 170it [30:30, 8.76s/it] 171it [30:38, 8.75s/it] 172it [30:47, 8.78s/it] 173it [30:56, 8.81s/it] 174it [31:05, 8.84s/it] 175it [31:14, 8.84s/it] 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8.82s/it] 218it [37:34, 8.80s/it] 219it [37:43, 8.85s/it] 220it [37:52, 8.81s/it] 221it [38:00, 8.78s/it] 222it [38:09, 8.73s/it] 223it [38:17, 8.67s/it] 224it [38:26, 8.71s/it] 225it [38:35, 8.70s/it] 226it [38:44, 8.70s/it] 227it [38:52, 8.69s/it] 228it [39:01, 8.71s/it] 229it [39:10, 8.72s/it] 230it [39:18, 8.70s/it] 231it [39:27, 8.68s/it] 232it [39:36, 8.63s/it] 233it [39:44, 8.60s/it] 234it [39:53, 8.58s/it] 235it [40:01, 8.61s/it] 236it [40:10, 8.58s/it] 237it [40:18, 8.59s/it] 238it [40:27, 8.60s/it] 239it [40:36, 8.60s/it] 240it [40:44, 8.65s/it] 241it [40:53, 8.63s/it] 242it [41:02, 8.71s/it] 243it [41:11, 8.75s/it] 244it [41:20, 8.80s/it] 245it [41:28, 8.80s/it] 246it [41:37, 8.79s/it] 247it [41:46, 8.86s/it] 248it [41:55, 8.92s/it] 249it [42:04, 8.91s/it] 250it [42:13, 8.85s/it] 251it [42:22, 8.86s/it] 252it [42:31, 8.86s/it] 253it [42:40, 8.87s/it] 254it [42:48, 8.84s/it] 255it [42:57, 8.81s/it] 256it [43:06, 8.87s/it] 257it [43:15, 8.84s/it] 258it [43:24, 8.85s/it] 259it 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8.27s/it] 690it [1:45:39, 8.28s/it] 691it [1:45:47, 8.28s/it] 692it [1:45:55, 8.30s/it] 693it [1:46:03, 8.28s/it] 694it [1:46:12, 8.27s/it] 695it [1:46:20, 8.27s/it] 696it [1:46:28, 8.29s/it] 697it [1:46:37, 8.29s/it] 698it [1:46:45, 8.29s/it] 699it [1:46:53, 8.29s/it] 700it [1:47:01, 8.29s/it] 701it [1:47:10, 8.31s/it] 702it [1:47:18, 8.31s/it] 703it [1:47:26, 8.31s/it] 704it [1:47:35, 8.31s/it] 705it [1:47:43, 8.29s/it] 706it [1:47:51, 8.27s/it] 707it [1:47:59, 8.27s/it] 708it [1:48:08, 8.27s/it] 709it [1:48:16, 8.27s/it] 710it [1:48:24, 8.27s/it] 711it [1:48:33, 8.26s/it] 712it [1:48:41, 8.26s/it] 713it [1:48:49, 8.26s/it] 714it [1:48:57, 8.25s/it] 715it [1:49:06, 8.27s/it] 716it [1:49:14, 8.29s/it] 717it [1:49:22, 8.30s/it] 718it [1:49:31, 8.29s/it] 719it [1:49:39, 8.29s/it] 720it [1:49:47, 8.27s/it] 721it [1:49:55, 8.27s/it] 722it [1:50:04, 8.27s/it] 723it [1:50:12, 8.27s/it] 724it [1:50:20, 8.27s/it] 725it [1:50:28, 8.28s/it] 726it [1:50:37, 8.25s/it] 727it [1:50:45, 8.25s/it] 728it [1:50:53, 8.24s/it] 729it [1:51:01, 8.24s/it] 730it [1:51:10, 8.25s/it] 731it [1:51:18, 8.23s/it] 732it [1:51:26, 8.23s/it] 733it [1:51:34, 8.20s/it] 734it [1:51:42, 8.21s/it] 735it [1:51:51, 8.20s/it] 736it [1:51:59, 8.21s/it] 737it [1:52:07, 8.21s/it] 738it [1:52:15, 8.22s/it] 739it [1:52:23, 8.19s/it] 740it [1:52:32, 8.21s/it] 741it [1:52:40, 8.22s/it] 742it [1:52:48, 8.21s/it] 743it [1:52:56, 8.23s/it] 744it [1:53:05, 8.23s/it] 745it [1:53:13, 8.24s/it] 746it [1:53:21, 8.25s/it] 747it [1:53:29, 8.26s/it] 748it [1:53:38, 8.24s/it] 749it [1:53:46, 8.24s/it] 750it [1:53:54, 8.24s/it] 751it [1:54:02, 8.28s/it] 752it [1:54:11, 8.31s/it] 753it [1:54:19, 8.34s/it] 754it [1:54:27, 8.33s/it] 755it [1:54:36, 8.33s/it] 756it [1:54:44, 8.35s/it] 757it [1:54:53, 8.36s/it] 758it [1:55:01, 8.34s/it] 759it [1:55:09, 8.34s/it] 760it [1:55:18, 8.33s/it] 761it [1:55:26, 8.30s/it] 762it [1:55:34, 8.30s/it] 763it [1:55:42, 8.28s/it] 764it [1:55:51, 8.27s/it] 765it [1:55:59, 8.25s/it] 766it [1:56:07, 8.26s/it] 767it [1:56:15, 8.25s/it] 768it [1:56:23, 8.23s/it] 769it [1:56:32, 8.25s/it] 770it [1:56:40, 8.26s/it] 771it [1:56:48, 8.26s/it] 772it [1:56:57, 8.27s/it] 773it [1:57:05, 8.26s/it] 774it [1:57:13, 8.26s/it] 775it [1:57:21, 8.26s/it] 776it [1:57:29, 8.24s/it] 777it [1:57:38, 8.23s/it] 778it [1:57:46, 8.22s/it] 779it [1:57:54, 8.21s/it] 780it [1:58:02, 8.22s/it] 781it [1:58:11, 8.25s/it] 782it [1:58:19, 8.26s/it] 783it [1:58:27, 8.26s/it] 784it [1:58:35, 8.26s/it] 785it [1:58:44, 8.28s/it] 786it [1:58:52, 8.30s/it] 787it [1:59:00, 8.30s/it] 788it [1:59:09, 8.30s/it] 789it [1:59:17, 8.28s/it] 790it [1:59:25, 8.28s/it] 791it [1:59:34, 8.29s/it] 792it [1:59:42, 8.29s/it] 793it [1:59:50, 8.26s/it] 794it [1:59:58, 8.26s/it] 795it [2:00:07, 8.24s/it] 796it [2:00:15, 8.20s/it] 797it [2:00:23, 8.20s/it] 798it [2:00:31, 8.21s/it] 799it [2:00:39, 8.19s/it] 800it [2:00:47, 8.19s/it] 801it [2:00:56, 8.22s/it] 802it [2:01:04, 8.22s/it] 803it [2:01:12, 8.23s/it] 804it [2:01:20, 8.21s/it] 805it [2:01:29, 8.22s/it] 806it [2:01:37, 8.24s/it] 807it [2:01:45, 8.24s/it] 808it [2:01:53, 8.25s/it] 809it [2:02:02, 8.25s/it] 810it [2:02:10, 8.23s/it] 811it [2:02:18, 8.23s/it] 812it [2:02:26, 8.25s/it] 813it [2:02:35, 8.24s/it] 814it [2:02:43, 8.24s/it] 815it [2:02:51, 8.28s/it] 816it [2:03:00, 8.30s/it] 817it [2:03:08, 8.31s/it] 818it [2:03:16, 8.31s/it] 819it [2:03:24, 8.31s/it] 820it [2:03:33, 8.31s/it] 821it [2:03:41, 8.30s/it] 822it [2:03:49, 8.30s/it] 823it [2:03:58, 8.30s/it] 824it [2:04:06, 8.32s/it] 825it [2:04:14, 8.33s/it] 826it [2:04:23, 8.32s/it] 827it [2:04:31, 8.32s/it] 828it [2:04:39, 8.35s/it] 829it [2:04:48, 8.37s/it] 830it [2:04:56, 8.37s/it] 831it [2:05:05, 8.39s/it] 832it [2:05:13, 8.37s/it] 833it [2:05:21, 8.37s/it] 834it [2:05:30, 8.39s/it] 835it [2:05:38, 8.39s/it] 836it [2:05:47, 8.39s/it] 837it [2:05:55, 8.38s/it] 838it [2:06:03, 8.38s/it] 839it [2:06:12, 8.39s/it] 840it [2:06:20, 8.39s/it] 841it [2:06:28, 8.38s/it] 842it [2:06:37, 8.39s/it] 843it [2:06:45, 8.40s/it] 844it [2:06:54, 8.39s/it] 845it [2:07:02, 8.40s/it] 846it [2:07:11, 8.42s/it] 847it [2:07:19, 8.40s/it] 848it [2:07:27, 8.37s/it] 849it [2:07:36, 8.37s/it] 850it [2:07:44, 8.37s/it] 851it [2:07:52, 8.36s/it] 852it [2:08:01, 8.39s/it] 853it [2:08:09, 8.39s/it] 854it [2:08:17, 8.38s/it] 855it [2:08:26, 8.40s/it] 856it [2:08:34, 8.41s/it] 857it [2:08:43, 8.40s/it] 858it [2:08:51, 8.39s/it] 859it [2:08:59, 8.36s/it] 860it [2:09:08, 8.34s/it] 861it [2:09:16, 8.34s/it] 862it [2:09:24, 8.34s/it] 863it [2:09:33, 8.34s/it] 864it [2:09:41, 8.35s/it] 865it [2:09:49, 8.34s/it] 866it [2:09:58, 8.34s/it] 867it [2:10:06, 8.35s/it] 868it [2:10:14, 8.35s/it] 869it [2:10:23, 8.37s/it] 870it [2:10:31, 8.36s/it] 871it [2:10:40, 8.37s/it] 872it [2:10:48, 8.35s/it] 873it [2:10:56, 8.34s/it] 874it [2:11:05, 8.34s/it] 875it [2:11:13, 8.34s/it] 876it [2:11:21, 8.34s/it] 877it [2:11:30, 8.34s/it] 878it [2:11:38, 8.34s/it] 879it [2:11:46, 8.35s/it] 880it [2:11:55, 8.37s/it] 881it [2:12:03, 8.37s/it] 882it [2:12:11, 8.37s/it] 883it [2:12:20, 8.38s/it] 884it [2:12:28, 8.38s/it] 885it [2:12:37, 8.38s/it] 886it [2:12:45, 8.39s/it] 887it [2:12:53, 8.37s/it] 888it [2:13:02, 8.36s/it] 889it [2:13:10, 8.35s/it] 890it [2:13:18, 8.35s/it] 891it [2:13:27, 8.39s/it] 892it [2:13:35, 8.36s/it] 893it [2:13:43, 8.33s/it] 894it [2:13:52, 8.33s/it] 895it [2:14:00, 8.35s/it] 896it [2:14:08, 8.34s/it] 897it [2:14:17, 8.33s/it] 898it [2:14:25, 8.34s/it] 899it [2:14:33, 8.34s/it] 900it [2:14:42, 8.35s/it] 901it [2:14:50, 8.38s/it] 902it [2:14:59, 8.37s/it] 903it [2:15:07, 8.36s/it] 904it [2:15:15, 8.36s/it] 905it [2:15:24, 8.37s/it] 906it [2:15:32, 8.37s/it] 907it [2:15:40, 8.35s/it] 908it [2:15:49, 8.35s/it] 909it [2:15:57, 8.34s/it] 910it [2:16:05, 8.35s/it] 911it [2:16:14, 8.34s/it] 912it [2:16:22, 8.35s/it] 913it [2:16:30, 8.33s/it] 914it [2:16:39, 8.34s/it] 915it [2:16:47, 8.34s/it] 916it [2:16:55, 8.33s/it] 917it [2:17:04, 8.36s/it] 918it [2:17:12, 8.35s/it] 919it [2:17:21, 8.36s/it] 920it [2:17:29, 8.35s/it] 921it [2:17:37, 8.35s/it] 922it [2:17:46, 8.36s/it] 923it [2:17:54, 8.35s/it] 924it [2:18:02, 8.38s/it] 925it [2:18:11, 8.37s/it] 926it [2:18:19, 8.34s/it] 927it [2:18:27, 8.35s/it] 928it [2:18:36, 8.34s/it] 929it [2:18:44, 8.32s/it] 930it [2:18:52, 8.32s/it] 931it [2:19:01, 8.33s/it] 932it [2:19:09, 8.34s/it] 933it [2:19:17, 8.33s/it] 934it [2:19:26, 8.33s/it] 935it [2:19:34, 8.33s/it] 936it [2:19:42, 8.33s/it] 937it [2:19:51, 8.35s/it] 938it [2:19:59, 8.36s/it] 939it [2:20:07, 8.37s/it] 940it [2:20:16, 8.37s/it] 941it [2:20:24, 8.39s/it] 942it [2:20:33, 8.38s/it] 943it [2:20:41, 8.40s/it] 944it [2:20:49, 8.41s/it] 945it [2:20:58, 8.40s/it] 946it [2:21:06, 8.39s/it] 947it [2:21:15, 8.41s/it] 948it [2:21:23, 8.40s/it] 949it [2:21:31, 8.36s/it] 950it [2:21:40, 8.34s/it] 951it [2:21:48, 8.34s/it] 952it [2:21:56, 8.33s/it] 953it [2:22:05, 8.33s/it] 954it [2:22:13, 8.34s/it] 955it [2:22:21, 8.34s/it] 956it [2:22:30, 8.34s/it] 957it [2:22:38, 8.34s/it] 958it [2:22:46, 8.34s/it] 959it [2:22:55, 8.35s/it] 960it [2:23:03, 8.37s/it] 961it [2:23:11, 8.35s/it] 962it [2:23:20, 8.37s/it] 963it [2:23:28, 8.38s/it] 964it [2:23:37, 8.37s/it] 965it [2:23:45, 8.37s/it] 966it [2:23:53, 8.37s/it] 967it [2:24:02, 8.37s/it] 968it [2:24:10, 8.38s/it] 969it [2:24:19, 8.39s/it] 970it [2:24:27, 8.38s/it] 971it [2:24:35, 8.36s/it] 972it [2:24:43, 8.33s/it] 973it [2:24:52, 8.32s/it] 974it [2:25:00, 8.30s/it] 975it [2:25:08, 8.30s/it] 976it [2:25:17, 8.29s/it] 977it [2:25:25, 8.29s/it] 978it [2:25:33, 8.30s/it] 979it [2:25:42, 8.32s/it] 980it [2:25:50, 8.31s/it] 981it [2:25:58, 8.31s/it] 982it [2:26:06, 8.33s/it] 983it [2:26:15, 8.33s/it] 984it [2:26:23, 8.35s/it] 985it [2:26:32, 8.35s/it] 986it [2:26:40, 8.34s/it] 987it [2:26:48, 8.34s/it] 988it [2:26:57, 8.35s/it] 989it [2:27:05, 8.36s/it] 990it [2:27:13, 8.36s/it] 991it [2:27:22, 8.37s/it] 992it [2:27:30, 8.36s/it] 993it [2:27:38, 8.35s/it] 994it [2:27:47, 8.37s/it] 995it [2:27:55, 8.38s/it] 996it [2:28:04, 8.36s/it] 997it [2:28:12, 8.36s/it] 998it [2:28:20, 8.38s/it] 999it [2:28:29, 8.39s/it] 1000it [2:28:37, 8.40s/it] 1000it [2:28:37, 8.92s/it] Error counts: cysteine_to_N_cyclization: 0 ⏰ Completed process in 6:01:33.774183 0it [00:00, ?it/s] 1it [00:10, 10.71s/it] 2it [00:21, 10.62s/it] 3it [00:31, 10.61s/it] 4it [00:42, 10.59s/it] 5it [00:52, 10.56s/it] 6it [01:03, 10.55s/it] 7it [01:13, 10.54s/it] 8it [01:24, 10.54s/it] 9it [01:35, 10.55s/it] 10it [01:45, 10.54s/it] 11it [01:56, 10.53s/it] 12it [02:06, 10.52s/it] 13it [02:17, 10.52s/it] 14it [02:27, 10.50s/it] 15it [02:38, 10.47s/it] 16it [02:48, 10.47s/it] 17it [02:59, 10.50s/it] 18it [03:09, 10.50s/it] 19it [03:19, 10.49s/it] 20it [03:30, 10.48s/it] 21it [03:41, 10.51s/it] 22it [03:51, 10.50s/it] 23it [04:01, 10.49s/it] 24it [04:12, 10.49s/it] 25it [04:22, 10.48s/it] 26it [04:33, 10.52s/it] 27it [04:44, 10.53s/it] 28it [04:54, 10.54s/it] 29it [05:05, 10.54s/it] 30it [05:15, 10.55s/it] 31it [05:26, 10.54s/it] 32it [05:36, 10.55s/it] 33it [05:47, 10.55s/it] 34it [05:57, 10.55s/it] 35it [06:08, 10.54s/it] 36it [06:19, 10.54s/it] 37it [06:29, 10.54s/it] 38it [06:40, 10.52s/it] 39it [06:50, 10.53s/it] 40it [07:01, 10.52s/it] 41it [07:11, 10.50s/it] 42it [07:22, 10.50s/it] 43it [07:32, 10.51s/it] 44it [07:43, 10.50s/it] 45it [07:53, 10.51s/it] 46it [08:04, 10.52s/it] 47it [08:14, 10.52s/it] 48it [08:25, 10.55s/it] 49it [08:35, 10.55s/it] 50it [08:46, 10.55s/it] 51it [08:56, 10.56s/it] 52it [09:07, 10.55s/it] 53it [09:17, 10.52s/it] 54it [09:28, 10.52s/it] 55it [09:38, 10.48s/it] 56it [09:49, 10.52s/it] 57it [09:59, 10.53s/it] 58it [10:10, 10.51s/it] 59it [10:21, 10.52s/it] 60it [10:31, 10.52s/it] 61it [10:42, 10.51s/it] 62it [10:52, 10.51s/it] 63it [11:03, 10.51s/it] 64it [11:13, 10.50s/it] 65it [11:23, 10.48s/it] 66it [11:34, 10.48s/it] 67it [11:44, 10.48s/it] 68it [11:55, 10.50s/it] 69it [12:06, 10.52s/it] 70it [12:16, 10.52s/it] 71it [12:27, 10.52s/it] 72it [12:37, 10.52s/it] 73it [12:48, 10.51s/it] 74it [12:58, 10.50s/it] 75it [13:08, 10.47s/it] 76it [13:19, 10.45s/it] 77it [13:29, 10.46s/it] 78it [13:40, 10.48s/it] 79it [13:50, 10.50s/it] 80it [14:01, 10.50s/it] 81it [14:11, 10.51s/it] 82it [14:22, 10.51s/it] 83it [14:32, 10.50s/it] 84it [14:43, 10.50s/it] 85it [14:53, 10.52s/it] 86it [15:04, 10.53s/it] 87it [15:15, 10.54s/it] 88it [15:25, 10.53s/it] 89it [15:36, 10.53s/it] 90it [15:46, 10.55s/it] 91it [15:57, 10.55s/it] 92it [16:07, 10.56s/it] 93it [16:18, 10.60s/it] 94it [16:29, 10.56s/it] 95it [16:39, 10.51s/it] 96it [16:49, 10.51s/it] 97it [17:00, 10.50s/it] 98it [17:10, 10.51s/it] 99it [17:21, 10.50s/it] 100it [17:31, 10.51s/it] 101it [17:42, 10.50s/it] 102it [17:52, 10.51s/it] 103it [18:03, 10.47s/it] 104it [18:13, 10.47s/it] 105it [18:24, 10.49s/it] 106it [18:34, 10.50s/it] 107it [18:45, 10.51s/it] 108it [18:55, 10.50s/it] 109it [19:06, 10.51s/it] 110it [19:17, 10.53s/it] 111it [19:27, 10.52s/it] 112it [19:38, 10.56s/it] 113it [19:48, 10.56s/it] 114it [19:59, 10.58s/it] 115it [20:09, 10.57s/it] 116it [20:20, 10.56s/it] 117it [20:30, 10.54s/it] 118it [20:41, 10.53s/it] 119it [20:51, 10.53s/it] 120it [21:02, 10.52s/it] 121it [21:12, 10.51s/it] 122it [21:23, 10.50s/it] 123it [21:33, 10.50s/it] 124it [21:44, 10.52s/it] 125it [21:55, 10.52s/it] 126it [22:05, 10.50s/it] 127it [22:16, 10.53s/it] 128it [22:26, 10.51s/it] 129it [22:36, 10.50s/it] 130it [22:47, 10.49s/it] 131it [22:57, 10.50s/it] 132it [23:08, 10.49s/it] 133it [23:18, 10.49s/it] 134it [23:29, 10.49s/it] 135it [23:39, 10.47s/it] 136it [23:50, 10.49s/it] 137it [24:00, 10.46s/it] 138it [24:11, 10.46s/it] 139it [24:21, 10.48s/it] 140it [24:32, 10.47s/it] 141it [24:42, 10.46s/it] 142it [24:53, 10.47s/it] 143it [25:03, 10.46s/it] 144it [25:14, 10.46s/it] 145it [25:24, 10.47s/it] 146it [25:35, 10.49s/it] 147it [25:45, 10.47s/it] 148it [25:56, 10.49s/it] 149it [26:06, 10.49s/it] 150it [26:16, 10.48s/it] 151it [26:27, 10.49s/it] 152it [26:37, 10.49s/it] 153it [26:48, 10.47s/it] 154it [26:58, 10.49s/it] 155it [27:09, 10.49s/it] 156it [27:19, 10.48s/it] 157it [27:30, 10.51s/it] 158it [27:41, 10.52s/it] 159it [27:51, 10.52s/it] 160it [28:02, 10.52s/it] 161it [28:12, 10.50s/it] 162it [28:23, 10.50s/it] 163it [28:33, 10.49s/it] 164it [28:43, 10.49s/it] 165it [28:54, 10.51s/it] 166it [29:05, 10.50s/it] 167it [29:15, 10.48s/it] 168it [29:25, 10.48s/it] 169it [29:36, 10.47s/it] 170it [29:46, 10.47s/it] 171it [29:57, 10.50s/it] 172it [30:07, 10.52s/it] 173it [30:18, 10.50s/it] 174it [30:28, 10.52s/it] 175it [30:39, 10.52s/it] 176it [30:49, 10.51s/it] 177it [31:00, 10.53s/it] 178it [31:11, 10.54s/it] 179it [31:21, 10.54s/it] 180it [31:32, 10.56s/it] 181it [31:42, 10.56s/it] 182it [31:53, 10.55s/it] 183it [32:03, 10.53s/it] 184it [32:14, 10.51s/it] 185it [32:24, 10.48s/it] 186it [32:35, 10.46s/it] 187it [32:45, 10.46s/it] 188it [32:56, 10.49s/it] 189it [33:06, 10.49s/it] 190it [33:17, 10.49s/it] 191it [33:27, 10.51s/it] 192it [33:38, 10.49s/it] 193it [33:48, 10.51s/it] 194it [33:59, 10.52s/it] 195it [34:09, 10.49s/it] 196it [34:20, 10.49s/it] 197it [34:30, 10.48s/it] 198it [34:41, 10.47s/it] 199it [34:51, 10.47s/it] 200it [35:01, 10.47s/it] 201it [35:12, 10.48s/it] 202it [35:22, 10.48s/it] 203it [35:33, 10.47s/it] 204it [35:43, 10.50s/it] 205it [35:54, 10.50s/it] 206it [36:04, 10.46s/it] 207it [36:15, 10.49s/it] 208it [36:25, 10.51s/it] 209it [36:36, 10.53s/it] 210it [36:47, 10.55s/it] 211it [36:57, 10.53s/it] 212it [37:08, 10.55s/it] 213it [37:18, 10.53s/it] 214it [37:29, 10.53s/it] 215it [37:39, 10.53s/it] 216it [37:50, 10.53s/it] 217it [38:00, 10.53s/it] 218it [38:11, 10.55s/it] 219it [38:21, 10.54s/it] 220it [38:32, 10.53s/it] 221it [38:42, 10.54s/it] 222it [38:53, 10.53s/it] 223it [39:03, 10.51s/it] 224it [39:14, 10.52s/it] 225it [39:25, 10.54s/it] 226it [39:35, 10.55s/it] 227it [39:46, 10.54s/it] 228it [39:56, 10.52s/it] 229it [40:07, 10.51s/it] 230it [40:17, 10.52s/it] 231it [40:28, 10.51s/it] 232it [40:38, 10.53s/it] 233it [40:49, 10.51s/it] 234it [40:59, 10.51s/it] 235it [41:10, 10.52s/it] 236it [41:20, 10.50s/it] 237it [41:31, 10.49s/it] 238it [41:41, 10.49s/it] 239it [41:52, 10.49s/it] 240it [42:02, 10.51s/it] 241it [42:13, 10.51s/it] 242it [42:23, 10.48s/it] 243it [42:34, 10.49s/it] 244it [42:44, 10.47s/it] 245it [42:55, 10.47s/it] 246it [43:05, 10.46s/it] 247it [43:16, 10.47s/it] 248it [43:26, 10.49s/it] 249it [43:37, 10.51s/it] 250it [43:47, 10.52s/it] 251it [43:58, 10.53s/it] 252it [44:08, 10.56s/it] 253it [44:19, 10.62s/it] 254it [44:30, 10.63s/it] 255it [44:40, 10.62s/it] 256it [44:51, 10.60s/it] 257it [45:01, 10.57s/it] 258it [45:12, 10.58s/it] 259it [45:23, 10.56s/it] 260it [45:33, 10.60s/it] 261it [45:44, 10.61s/it] 262it [45:54, 10.61s/it] 263it [46:05, 10.61s/it] 264it [46:16, 10.61s/it] 265it [46:26, 10.63s/it] 266it [46:37, 10.74s/it] 267it [46:48, 10.83s/it] 268it [47:00, 11.01s/it] 269it [47:11, 11.16s/it] 270it [47:23, 11.22s/it] 271it [47:34, 11.32s/it] 272it [47:46, 11.31s/it] 273it [47:57, 11.35s/it] 274it [48:08, 11.37s/it] 275it [48:20, 11.37s/it] 276it [48:31, 11.38s/it] 277it [48:42, 11.38s/it] 278it [48:54, 11.36s/it] 279it [49:05, 11.33s/it] 280it [49:16, 11.29s/it] 281it [49:28, 11.29s/it] 282it [49:39, 11.28s/it] 283it [49:50, 11.23s/it] 284it [50:01, 11.21s/it] 285it [50:12, 11.22s/it] 286it [50:23, 11.19s/it] 287it [50:35, 11.15s/it] 288it [50:46, 11.14s/it] 289it [50:57, 11.18s/it] 290it [51:08, 11.16s/it] 291it [51:19, 11.20s/it] 292it [51:31, 11.25s/it] 293it [51:42, 11.31s/it] 294it [51:53, 11.31s/it] 295it [52:05, 11.35s/it] 296it [52:16, 11.35s/it] 297it [52:28, 11.37s/it] 298it [52:39, 11.40s/it] 299it [52:51, 11.41s/it] 300it [53:02, 11.38s/it] 301it [53:13, 11.41s/it] 302it [53:25, 11.39s/it] 303it [53:36, 11.36s/it] 304it [53:47, 11.38s/it] 305it [53:59, 11.40s/it] 306it [54:10, 11.38s/it] 307it [54:22, 11.45s/it] 308it [54:33, 11.50s/it] 309it [54:45, 11.50s/it] 310it [54:56, 11.50s/it] 311it [55:08, 11.51s/it] 312it [55:20, 11.54s/it] 313it [55:31, 11.54s/it] 314it [55:43, 11.53s/it] 315it [55:54, 11.53s/it] 316it [56:06, 11.49s/it] 317it [56:17, 11.44s/it] 318it [56:28, 11.44s/it] 319it [56:40, 11.38s/it] 320it [56:51, 11.35s/it] 321it [57:02, 11.35s/it] 322it [57:14, 11.35s/it] 323it [57:25, 11.36s/it] 324it [57:36, 11.38s/it] 325it [57:48, 11.41s/it] 326it [57:59, 11.42s/it] 327it [58:11, 11.49s/it] 328it [58:22, 11.51s/it] 329it [58:34, 11.55s/it] 330it [58:45, 11.48s/it] 331it [58:57, 11.50s/it] 332it [59:08, 11.47s/it] 333it [59:20, 11.53s/it] 334it [59:32, 11.56s/it] 335it [59:43, 11.51s/it] 336it [59:54, 11.48s/it] 337it [1:00:06, 11.45s/it] 338it [1:00:17, 11.40s/it] 339it [1:00:28, 11.33s/it] 340it [1:00:40, 11.34s/it] 341it [1:00:51, 11.39s/it] 342it [1:01:03, 11.41s/it] 343it [1:01:14, 11.42s/it] 344it [1:01:25, 11.40s/it] 345it [1:01:38, 11.88s/it] 346it [1:01:50, 11.70s/it] 347it [1:02:01, 11.58s/it] 348it [1:02:12, 11.50s/it] 349it [1:02:24, 11.49s/it] 350it [1:02:35, 11.50s/it] 351it [1:02:47, 11.48s/it] 352it [1:02:58, 11.43s/it] 353it [1:03:09, 11.41s/it] 354it [1:03:21, 11.41s/it] 355it [1:03:32, 11.42s/it] 356it [1:03:47, 12.43s/it] 357it [1:03:59, 12.14s/it] 358it [1:04:10, 11.92s/it] 359it [1:04:21, 11.77s/it] 360it [1:04:33, 11.67s/it] 361it [1:04:44, 11.61s/it] 362it [1:04:56, 11.51s/it] 363it [1:05:07, 11.45s/it] 364it [1:05:18, 11.46s/it] 365it [1:05:30, 11.43s/it] 366it [1:05:41, 11.40s/it] 367it [1:05:52, 11.35s/it] 368it [1:06:04, 11.35s/it] 369it [1:06:15, 11.31s/it] 370it [1:06:26, 11.29s/it] 371it [1:06:37, 11.27s/it] 372it [1:06:48, 11.24s/it] 373it [1:07:00, 11.22s/it] 374it [1:07:11, 11.25s/it] 375it [1:07:22, 11.26s/it] 376it [1:07:34, 11.32s/it] 377it [1:07:45, 11.36s/it] 378it [1:07:57, 11.56s/it] 379it [1:08:09, 11.58s/it] 380it [1:08:20, 11.57s/it] 381it [1:08:32, 11.54s/it] 382it [1:08:44, 11.58s/it] 383it [1:08:55, 11.52s/it] 384it [1:09:06, 11.50s/it] 385it [1:09:18, 11.50s/it] 386it [1:09:29, 11.47s/it] 387it [1:09:41, 11.41s/it] 388it [1:09:52, 11.38s/it] 389it [1:10:03, 11.37s/it] 390it [1:10:15, 11.37s/it] 391it [1:10:26, 11.34s/it] 392it [1:10:37, 11.30s/it] 393it [1:10:48, 11.28s/it] 394it [1:11:00, 11.52s/it] 395it [1:11:12, 11.59s/it] 396it [1:11:23, 11.49s/it] 397it [1:11:35, 11.43s/it] 398it [1:11:46, 11.39s/it] 399it [1:11:57, 11.35s/it] 400it [1:12:08, 11.32s/it] 401it [1:12:20, 11.36s/it] 402it [1:12:31, 11.36s/it] 403it [1:12:43, 11.38s/it] 404it [1:12:54, 11.37s/it] 405it [1:13:05, 11.37s/it] 406it [1:13:17, 11.35s/it] 407it [1:13:28, 11.35s/it] 408it [1:13:39, 11.31s/it] 409it [1:13:51, 11.28s/it] 410it [1:14:02, 11.27s/it] 411it [1:14:13, 11.26s/it] 412it [1:14:24, 11.23s/it] 413it [1:14:35, 11.23s/it] 414it [1:14:47, 11.22s/it] 415it [1:14:58, 11.24s/it] 416it [1:15:09, 11.20s/it] 417it [1:15:20, 11.17s/it] 418it [1:15:31, 11.18s/it] 419it [1:15:42, 11.16s/it] 420it [1:15:54, 11.17s/it] 421it [1:16:05, 11.16s/it] 422it [1:16:16, 11.16s/it] 423it [1:16:27, 11.17s/it] 424it [1:16:38, 11.19s/it] 425it [1:16:50, 11.21s/it] 426it [1:17:01, 11.26s/it] 427it [1:17:12, 11.34s/it] 428it [1:17:24, 11.35s/it] 429it [1:17:35, 11.39s/it] 430it [1:17:48, 11.70s/it] 431it [1:17:59, 11.62s/it] 432it [1:18:11, 11.57s/it] 433it [1:18:22, 11.57s/it] 434it [1:18:34, 11.50s/it] 435it [1:18:45, 11.46s/it] 436it [1:18:56, 11.40s/it] 437it [1:19:08, 11.39s/it] 438it [1:19:19, 11.36s/it] 439it [1:19:30, 11.35s/it] 440it [1:19:42, 11.42s/it] 441it [1:19:53, 11.40s/it] 442it [1:20:05, 11.43s/it] 443it [1:20:16, 11.42s/it] 444it [1:20:27, 11.40s/it] 445it [1:20:39, 11.39s/it] 446it [1:20:50, 11.41s/it] 447it [1:21:02, 11.43s/it] 448it [1:21:13, 11.44s/it] 449it [1:21:24, 11.41s/it] 450it [1:21:36, 11.42s/it] 451it [1:21:47, 11.40s/it] 452it [1:21:59, 11.39s/it] 453it [1:22:10, 11.41s/it] 454it [1:22:21, 11.40s/it] 455it [1:22:33, 11.37s/it] 456it [1:22:44, 11.38s/it] 457it [1:22:55, 11.37s/it] 458it [1:23:07, 11.37s/it] 459it [1:23:18, 11.35s/it] 460it [1:23:29, 11.34s/it] 461it [1:23:41, 11.34s/it] 462it [1:23:52, 11.35s/it] 463it [1:24:03, 11.33s/it] 464it [1:24:15, 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10.20s/it] 946it [2:51:03, 10.19s/it] 947it [2:51:14, 10.21s/it] 948it [2:51:24, 10.22s/it] 949it [2:51:34, 10.20s/it] 950it [2:51:44, 10.22s/it] 951it [2:51:55, 10.29s/it] 952it [2:52:05, 10.38s/it] 953it [2:52:16, 10.45s/it] 954it [2:52:27, 10.52s/it] 955it [2:52:37, 10.56s/it] 956it [2:52:48, 10.54s/it] 957it [2:52:58, 10.55s/it] 958it [2:53:09, 10.52s/it] 959it [2:53:19, 10.50s/it] 960it [2:53:30, 10.46s/it] 961it [2:53:40, 10.40s/it] 962it [2:53:50, 10.36s/it] 963it [2:54:00, 10.33s/it] 964it [2:54:11, 10.31s/it] 965it [2:54:21, 10.29s/it] 966it [2:54:31, 10.29s/it] 967it [2:54:42, 10.30s/it] 968it [2:54:52, 10.29s/it] 969it [2:55:02, 10.29s/it] 970it [2:55:12, 10.29s/it] 971it [2:55:23, 10.28s/it] 972it [2:55:33, 10.30s/it] 973it [2:55:43, 10.29s/it] 974it [2:55:54, 10.28s/it] 975it [2:56:04, 10.28s/it] 976it [2:56:14, 10.29s/it] 977it [2:56:24, 10.27s/it] 978it [2:56:35, 10.28s/it] 979it [2:56:45, 10.27s/it] 980it [2:56:55, 10.27s/it] 981it [2:57:05, 10.23s/it] 982it [2:57:16, 10.23s/it] 983it [2:57:26, 10.24s/it] 984it [2:57:36, 10.23s/it] 985it [2:57:46, 10.22s/it] 986it [2:57:57, 10.24s/it] 987it [2:58:07, 10.23s/it] 988it [2:58:17, 10.25s/it] 989it [2:58:27, 10.25s/it] 990it [2:58:38, 10.24s/it] 991it [2:58:48, 10.29s/it] 992it [2:58:58, 10.26s/it] 993it [2:59:09, 10.35s/it] 994it [2:59:19, 10.44s/it] 995it [2:59:30, 10.45s/it] 996it [2:59:40, 10.38s/it] 997it [2:59:50, 10.34s/it] 998it [3:00:01, 10.34s/it] 999it [3:00:11, 10.38s/it] 1000it [3:00:22, 10.44s/it] 1000it [3:00:22, 10.82s/it] Error counts: cyclic_id: 0 cyclic_inchikey: 0 cyclic_scaffold: 0 cyclic_mwt: 0 cyclic_clogp: 0 cyclic_tpsa: 0 ⏰ Completed process in 9:01:57.097216 0it [00:00, ?it/s] 1it [00:00, 7.37it/s] 2it [00:00, 7.86it/s] 3it [00:00, 8.45it/s] 4it [00:00, 8.86it/s] 5it [00:00, 9.14it/s] 6it [00:00, 9.30it/s] 7it [00:00, 9.40it/s] 8it [00:00, 9.43it/s] 9it [00:00, 9.43it/s] 10it [00:01, 9.41it/s] 11it [00:01, 9.41it/s] 12it [00:01, 9.47it/s] 13it [00:01, 9.52it/s] 14it [00:01, 9.55it/s] 15it [00:01, 9.54it/s] 16it [00:01, 9.51it/s] 17it [00:01, 9.54it/s] 18it [00:01, 9.53it/s] 19it [00:02, 9.50it/s] 20it [00:02, 9.55it/s] 21it [00:02, 9.57it/s] 22it [00:02, 9.59it/s] 23it [00:02, 9.58it/s] 24it [00:02, 9.53it/s] 25it [00:02, 9.50it/s] 26it [00:02, 9.55it/s] 27it [00:02, 9.51it/s] 28it [00:02, 9.47it/s] 29it [00:03, 9.46it/s] 30it [00:03, 9.45it/s] 31it [00:03, 9.46it/s] 32it [00:03, 9.50it/s] 33it [00:03, 9.53it/s] 34it [00:03, 9.54it/s] 35it [00:03, 9.45it/s] 36it [00:03, 9.45it/s] 37it [00:03, 9.49it/s] 38it [00:04, 9.53it/s] 39it [00:04, 9.55it/s] 40it [00:04, 9.51it/s] 41it [00:04, 9.52it/s] 42it [00:04, 9.50it/s] 43it [00:04, 9.35it/s] 44it [00:04, 9.39it/s] 45it [00:04, 9.44it/s] 46it [00:04, 9.51it/s] 47it [00:04, 9.55it/s] 48it [00:05, 9.53it/s] 49it [00:05, 9.57it/s] 50it [00:05, 9.47it/s] 51it [00:05, 9.41it/s] 52it [00:05, 9.45it/s] 53it [00:05, 9.45it/s] 54it [00:05, 9.43it/s] 55it [00:05, 9.41it/s] 56it [00:05, 9.42it/s] 57it [00:06, 9.33it/s] 58it [00:06, 9.34it/s] 59it [00:06, 9.40it/s] 60it [00:06, 9.46it/s] 61it [00:06, 9.49it/s] 62it [00:06, 9.46it/s] 63it [00:06, 9.49it/s] 64it [00:06, 9.53it/s] 65it [00:06, 9.54it/s] 66it [00:07, 9.48it/s] 67it [00:07, 9.51it/s] 68it [00:07, 9.51it/s] 69it [00:07, 9.55it/s] 70it [00:07, 9.56it/s] 71it [00:07, 9.58it/s] 72it [00:07, 9.55it/s] 73it [00:07, 9.55it/s] 74it [00:07, 9.52it/s] 75it [00:07, 9.57it/s] 76it [00:08, 9.59it/s] 77it [00:08, 9.54it/s] 78it [00:08, 9.51it/s] 79it [00:08, 9.48it/s] 80it [00:08, 9.55it/s] 81it [00:08, 9.49it/s] 82it [00:08, 9.49it/s] 83it [00:08, 9.53it/s] 84it [00:08, 9.48it/s] 85it [00:08, 9.47it/s] 86it [00:09, 9.50it/s] 87it [00:09, 9.53it/s] 88it [00:09, 9.57it/s] 89it [00:09, 9.54it/s] 90it [00:09, 9.56it/s] 91it [00:09, 9.58it/s] 92it [00:09, 9.58it/s] 93it [00:09, 9.52it/s] 94it [00:09, 9.49it/s] 95it [00:10, 9.50it/s] 96it [00:10, 9.52it/s] 97it [00:10, 9.58it/s] 98it [00:10, 9.54it/s] 99it [00:10, 9.52it/s] 100it [00:10, 9.46it/s] 101it [00:10, 9.43it/s] 102it [00:10, 9.45it/s] 103it [00:10, 9.50it/s] 104it [00:10, 9.54it/s] 105it [00:11, 9.51it/s] 106it [00:11, 9.49it/s] 107it [00:11, 9.52it/s] 108it [00:11, 9.49it/s] 109it [00:11, 9.49it/s] 110it [00:11, 9.54it/s] 111it [00:11, 9.48it/s] 112it [00:11, 9.46it/s] 113it [00:11, 9.39it/s] 114it [00:12, 9.37it/s] 115it [00:12, 9.36it/s] 116it [00:12, 9.37it/s] 117it [00:12, 9.34it/s] 118it [00:12, 9.30it/s] 119it [00:12, 9.27it/s] 120it [00:12, 9.25it/s] 121it [00:12, 9.25it/s] 122it [00:12, 9.33it/s] 123it [00:13, 9.37it/s] 124it [00:13, 9.44it/s] 125it [00:13, 9.51it/s] 126it [00:13, 9.52it/s] 127it [00:13, 9.55it/s] 128it [00:13, 9.59it/s] 129it [00:13, 9.60it/s] 130it [00:13, 9.58it/s] 131it [00:13, 9.58it/s] 132it [00:13, 9.61it/s] 133it [00:14, 9.59it/s] 134it [00:14, 9.62it/s] 135it [00:14, 9.65it/s] 136it [00:14, 9.62it/s] 137it [00:14, 9.63it/s] 138it [00:14, 9.66it/s] 139it [00:14, 9.64it/s] 140it [00:14, 9.67it/s] 141it [00:14, 9.67it/s] 142it [00:14, 9.67it/s] 143it [00:15, 9.62it/s] 144it [00:15, 9.65it/s] 145it [00:15, 9.68it/s] 146it [00:15, 9.70it/s] 147it [00:15, 9.67it/s] 148it [00:15, 9.65it/s] 149it [00:15, 9.67it/s] 150it [00:15, 9.69it/s] 151it [00:15, 9.65it/s] 152it [00:16, 9.65it/s] 153it [00:16, 9.72it/s] 154it [00:16, 9.66it/s] 155it [00:16, 9.68it/s] 156it [00:16, 9.66it/s] 157it [00:16, 9.67it/s] 158it [00:16, 9.67it/s] 159it [00:16, 9.64it/s] 160it [00:16, 9.66it/s] 161it [00:16, 9.69it/s] 162it [00:17, 9.71it/s] 163it [00:17, 9.72it/s] 164it [00:17, 9.67it/s] 165it [00:17, 9.67it/s] 166it [00:17, 9.71it/s] 167it [00:17, 9.69it/s] 168it [00:17, 9.65it/s] 169it [00:17, 9.64it/s] 170it [00:17, 9.67it/s] 171it [00:17, 9.65it/s] 172it [00:18, 9.66it/s] 173it [00:18, 9.67it/s] 174it [00:18, 9.64it/s] 175it [00:18, 9.65it/s] 176it [00:18, 9.66it/s] 177it [00:18, 9.69it/s] 178it [00:18, 9.68it/s] 179it [00:18, 9.68it/s] 180it [00:18, 9.70it/s] 181it [00:19, 9.73it/s] 182it [00:19, 9.70it/s] 183it [00:19, 9.68it/s] 184it [00:19, 9.70it/s] 185it [00:19, 9.69it/s] 186it [00:19, 9.71it/s] 187it [00:19, 9.70it/s] 188it [00:19, 9.70it/s] 189it [00:19, 9.72it/s] 190it [00:19, 9.68it/s] 191it [00:20, 9.66it/s] 192it [00:20, 9.66it/s] 193it [00:20, 9.65it/s] 194it [00:20, 9.65it/s] 195it [00:20, 9.67it/s] 196it [00:20, 9.60it/s] 197it [00:20, 9.61it/s] 198it [00:20, 9.64it/s] 199it [00:20, 9.66it/s] 200it [00:20, 9.64it/s] 201it [00:21, 9.65it/s] 202it [00:21, 9.68it/s] 203it [00:21, 9.69it/s] 204it [00:21, 9.69it/s] 205it [00:21, 9.68it/s] 206it [00:21, 9.69it/s] 207it [00:21, 9.65it/s] 208it [00:21, 9.67it/s] 209it [00:21, 9.68it/s] 210it [00:22, 9.70it/s] 211it [00:22, 9.65it/s] 212it [00:22, 9.67it/s] 213it [00:22, 9.68it/s] 214it [00:22, 9.65it/s] 215it [00:22, 9.61it/s] 216it [00:22, 9.62it/s] 217it [00:22, 9.61it/s] 218it [00:22, 9.65it/s] 219it [00:22, 9.63it/s] 220it [00:23, 9.64it/s] 221it [00:23, 9.67it/s] 222it [00:23, 9.62it/s] 223it [00:23, 9.63it/s] 224it [00:23, 9.65it/s] 225it [00:23, 9.65it/s] 226it [00:23, 9.63it/s] 227it [00:23, 9.63it/s] 228it [00:23, 9.65it/s] 229it [00:23, 9.67it/s] 230it [00:24, 9.64it/s] 231it [00:24, 9.60it/s] 232it [00:24, 9.62it/s] 233it [00:24, 9.64it/s] 234it [00:24, 9.64it/s] 235it [00:24, 9.67it/s] 236it [00:24, 9.69it/s] 237it [00:24, 9.73it/s] 238it [00:24, 9.70it/s] 239it [00:25, 9.70it/s] 240it [00:25, 9.35it/s] 241it [00:25, 9.38it/s] 242it [00:25, 9.49it/s] 243it [00:25, 9.56it/s] 244it [00:25, 9.58it/s] 245it [00:25, 9.62it/s] 246it [00:25, 9.66it/s] 247it [00:25, 9.70it/s] 248it [00:25, 9.67it/s] 249it [00:26, 9.69it/s] 250it [00:26, 9.72it/s] 251it [00:26, 9.71it/s] 252it [00:26, 9.67it/s] 253it [00:26, 9.59it/s] 254it [00:26, 9.62it/s] 255it [00:26, 9.60it/s] 256it [00:26, 9.62it/s] 257it [00:26, 9.65it/s] 258it [00:26, 9.67it/s] 259it [00:27, 9.68it/s] 260it [00:27, 9.65it/s] 261it [00:27, 9.67it/s] 262it [00:27, 9.64it/s] 263it [00:27, 9.63it/s] 264it [00:27, 9.67it/s] 265it [00:27, 9.66it/s] 266it [00:27, 9.65it/s] 267it [00:27, 9.67it/s] 268it [00:28, 9.61it/s] 269it [00:28, 9.59it/s] 270it [00:28, 9.61it/s] 271it [00:28, 9.36it/s] 272it [00:28, 9.42it/s] 273it [00:28, 9.47it/s] 274it [00:28, 9.53it/s] 275it [00:28, 9.54it/s] 276it [00:28, 9.60it/s] 277it [00:28, 9.63it/s] 278it [00:29, 9.59it/s] 279it [00:29, 9.67it/s] 280it [00:29, 9.66it/s] 281it [00:29, 9.68it/s] 282it [00:29, 9.68it/s] 283it [00:29, 9.65it/s] 284it [00:29, 9.64it/s] 285it [00:29, 9.63it/s] 286it [00:29, 9.64it/s] 287it [00:30, 9.67it/s] 288it [00:30, 9.67it/s] 289it [00:30, 9.65it/s] 290it [00:30, 9.63it/s] 291it [00:30, 9.67it/s] 292it [00:30, 9.69it/s] 293it [00:30, 9.67it/s] 294it [00:30, 9.67it/s] 295it [00:30, 9.67it/s] 296it [00:30, 9.68it/s] 297it [00:31, 9.65it/s] 298it [00:31, 9.62it/s] 299it [00:31, 9.62it/s] 300it [00:31, 9.65it/s] 301it [00:31, 9.62it/s] 302it [00:31, 9.60it/s] 303it [00:31, 9.63it/s] 304it [00:31, 9.67it/s] 305it [00:31, 9.69it/s] 306it [00:31, 9.73it/s] 307it [00:32, 9.68it/s] 308it [00:32, 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9.60it/s] 973it [01:41, 9.60it/s] 974it [01:41, 9.63it/s] 975it [01:41, 9.64it/s] 976it [01:41, 9.66it/s] 977it [01:41, 9.67it/s] 978it [01:41, 9.69it/s] 979it [01:41, 9.70it/s] 980it [01:41, 9.66it/s] 981it [01:41, 9.67it/s] 982it [01:42, 9.67it/s] 983it [01:42, 9.67it/s] 984it [01:42, 9.65it/s] 985it [01:42, 9.64it/s] 986it [01:42, 9.66it/s] 987it [01:42, 9.67it/s] 988it [01:42, 9.69it/s] 989it [01:42, 9.68it/s] 990it [01:42, 9.67it/s] 991it [01:43, 9.66it/s] 992it [01:43, 9.64it/s] 993it [01:43, 9.68it/s] 994it [01:43, 9.63it/s] 995it [01:43, 9.65it/s] 996it [01:43, 9.67it/s] 997it [01:43, 9.64it/s] 998it [01:43, 9.65it/s] 999it [01:43, 9.66it/s] 1000it [01:43, 9.62it/s] 1000it [01:43, 9.62it/s] Split counts: train: 674000 test: 164000 validation: 162000 ⏰ Completed process in 9:03:43.033829 ++ date + echo 'Sat 2 Nov 01:05:13 GMT 2024 :: 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-46000000-47000000.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-46000000-47000000.csv.gz + split_dir=20241101_peptides_6-12x100M/train ++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-46000000-47000000.csv.gz .csv.gz + split_file=20241101_peptides_6-12x100M/train/peptides_length-10_n-100000000_slice-46000000-47000000.csv.gz + mkdir -p 20241101_peptides_6-12x100M/train ++ date + echo 'Sat 2 Nov 01:05:13 GMT 2024 :: Saving train...' Sat 2 Nov 01:05:13 GMT 2024 :: Saving train... + zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-46000000-47000000.csv.gz + gzip --best + awk -F, -v OFS=, -v c1=is_train 'NR == 1 { n=split($0,h); for(i=1;i<=n;i++) col[h[i]]=i; print $0 }; ( NR > 1 && $col[c1] == "True" ) { print $0 }' ++ date + echo 'Sat 2 Nov 01:06:12 GMT 2024 :: 20241101_peptides_6-12x100M/train/peptides_length-10_n-100000000_slice-46000000-47000000.csv.gz' + for split in train test validation ++ dirname 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-46000000-47000000.csv.gz + split_dir=20241101_peptides_6-12x100M/test ++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-46000000-47000000.csv.gz .csv.gz + split_file=20241101_peptides_6-12x100M/test/peptides_length-10_n-100000000_slice-46000000-47000000.csv.gz + mkdir -p 20241101_peptides_6-12x100M/test ++ date + echo 'Sat 2 Nov 01:06:12 GMT 2024 :: Saving test...' Sat 2 Nov 01:06:12 GMT 2024 :: Saving test... + zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-46000000-47000000.csv.gz + gzip --best + awk -F, -v OFS=, -v c1=is_test 'NR == 1 { n=split($0,h); for(i=1;i<=n;i++) col[h[i]]=i; print $0 }; ( NR > 1 && $col[c1] == "True" ) { print $0 }' ++ date + echo 'Sat 2 Nov 01:06:37 GMT 2024 :: 20241101_peptides_6-12x100M/test/peptides_length-10_n-100000000_slice-46000000-47000000.csv.gz' + for split in train test validation ++ dirname 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-46000000-47000000.csv.gz + split_dir=20241101_peptides_6-12x100M/validation ++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-46000000-47000000.csv.gz .csv.gz + split_file=20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-46000000-47000000.csv.gz + mkdir -p 20241101_peptides_6-12x100M/validation ++ date + echo 'Sat 2 Nov 01:06:37 GMT 2024 :: Saving validation...' Sat 2 Nov 01:06:37 GMT 2024 :: Saving validation... + zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-46000000-47000000.csv.gz + gzip --best + awk -F, -v OFS=, -v c1=is_validation 'NR == 1 { n=split($0,h); for(i=1;i<=n;i++) col[h[i]]=i; print $0 }; ( NR > 1 && $col[c1] == "True" ) { print $0 }' ++ date + echo 'Sat 2 Nov 01:07:02 GMT 2024 :: 20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-46000000-47000000.csv.gz' + '[' -e 20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-46000000-47000000.csv.gz.success ']' + rm 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-46000000-47000000.csv.gz 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-46000000-47000000.csv.gz.success + set +x Sat 2 Nov 01:07:02 GMT 2024 > Peptide generation complete