Fri 1 Nov 15:57:49 GMT 2024 > Generating peptides on cn071 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 15:57:49 GMT 2024 > Running /camp/apps/eb/software/Anaconda3/2023.03/bin/python : Python 3.10.10 Fri 1 Nov 15:57:49 GMT 2024 > Using Conda from . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Fri 1 Nov 15:57:49 GMT 2024 > Seed = 1; length = 10; max. number = 100000000; slice = 21000000 to 22000000; output dir. = 20241101_peptides_6-12x100M Fri 1 Nov 15:57:49 GMT 2024 > There are 10240000000000 peptides of length 10; generating 100000000 (0.000976563 %) Fri 1 Nov 15:57:49 GMT 2024 > Saving a slice to 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-21000000-22000000.csv.gz... + schemist enumerate --seed 1 --max-length 10 --prefix GY --suffix CGSGSGS --number 9.76563e-06 --slice 21000000 22000000 + 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- 🚀 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: 🚀 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: 🚀 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: 🚀 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: ['21000000', '22000000'] 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 [00:37, 37.64s/it] 2it [00:38, 16.13s/it] 3it [00:39, 9.28s/it] 4it [00:40, 6.04s/it] 5it [00:41, 4.24s/it] 6it [00:43, 3.16s/it] 7it [00:44, 2.48s/it] 8it [00:45, 2.02s/it] 9it [00:46, 1.70s/it] 10it [00:47, 1.50s/it] 11it [00:48, 1.38s/it] 12it [00:49, 1.29s/it] 13it [00:50, 1.23s/it] 14it [00:51, 1.19s/it] 15it [00:52, 1.15s/it] 16it [00:53, 1.13s/it] 17it [00:54, 1.11s/it] 18it [00:55, 1.11s/it] 19it [00:56, 1.10s/it] 20it [00:58, 1.10s/it] 21it [00:59, 1.08s/it] 22it [01:00, 1.09s/it] 23it [01:01, 1.07s/it] 24it [01:02, 1.07s/it] 25it [01:03, 1.06s/it] 26it [01:04, 1.05s/it] 27it [01:05, 1.05s/it] 28it [01:06, 1.04s/it] 29it [01:07, 1.05s/it] 30it [01:08, 1.06s/it] 31it [01:09, 1.07s/it] 32it [01:10, 1.08s/it] 33it [01:11, 1.10s/it] 34it [01:13, 1.10s/it] 35it [01:14, 1.11s/it] 36it [01:15, 1.13s/it] 37it 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[16:07, 1.01s/it] 871it [16:08, 1.03s/it] 872it [16:09, 1.03s/it] 873it [16:10, 1.03s/it] 874it [16:11, 1.02s/it] 875it [16:12, 1.02s/it] 876it [16:13, 1.01s/it] 877it [16:14, 1.01s/it] 878it [16:15, 1.01s/it] 879it [16:16, 1.01s/it] 880it [16:17, 1.01s/it] 881it [16:18, 1.03s/it] 882it [16:20, 1.03s/it] 883it [16:21, 1.03s/it] 884it [16:22, 1.03s/it] 885it [16:23, 1.04s/it] 886it [16:24, 1.04s/it] 887it [16:25, 1.04s/it] 888it [16:26, 1.04s/it] 889it [16:27, 1.04s/it] 890it [16:28, 1.03s/it] 891it [16:29, 1.03s/it] 892it [16:30, 1.03s/it] 893it [16:31, 1.03s/it] 894it [16:32, 1.03s/it] 895it [16:33, 1.03s/it] 896it [16:34, 1.04s/it] 897it [16:35, 1.04s/it] 898it [16:36, 1.04s/it] 899it [16:37, 1.05s/it] 900it [16:38, 1.04s/it] 901it [16:39, 1.06s/it] 902it [16:40, 1.05s/it] 903it [16:41, 1.05s/it] 904it [16:42, 1.05s/it] 905it [16:43, 1.05s/it] 906it [16:45, 1.05s/it] 907it [16:46, 1.04s/it] 908it [16:47, 1.04s/it] 909it [16:48, 1.03s/it] 910it [16:49, 1.02s/it] 911it [16:50, 1.02s/it] 912it [16:51, 1.01s/it] 913it [16:52, 1.02s/it] 914it [16:53, 1.02s/it] 915it [16:54, 1.01s/it] 916it [16:55, 1.01s/it] 917it [16:56, 1.00it/s] 918it [16:57, 1.01it/s] 919it [16:58, 1.00it/s] 920it [16:59, 1.00it/s] 921it [17:00, 1.01s/it] 922it [17:01, 1.01s/it] 923it [17:02, 1.01s/it] 924it [17:03, 1.02s/it] 925it [17:04, 1.02s/it] 926it [17:05, 1.01s/it] 927it [17:06, 1.01s/it] 928it [17:07, 1.01s/it] 929it [17:08, 1.01s/it] 930it [17:09, 1.01s/it] 931it [17:10, 1.02s/it] 932it [17:11, 1.01s/it] 933it [17:12, 1.02s/it] 934it [17:13, 1.04s/it] 935it [17:14, 1.03s/it] 936it [17:15, 1.03s/it] 937it [17:16, 1.03s/it] 938it [17:17, 1.04s/it] 939it [17:18, 1.04s/it] 940it [17:19, 1.05s/it] 941it [17:20, 1.04s/it] 942it [17:21, 1.05s/it] 943it [17:22, 1.05s/it] 944it [17:23, 1.04s/it] 945it [17:24, 1.04s/it] 946it [17:25, 1.03s/it] 947it [17:26, 1.02s/it] 948it [17:27, 1.02s/it] 949it [17:28, 1.01s/it] 950it [17:29, 1.02s/it] 951it [17:30, 1.02s/it] 952it [17:32, 1.04s/it] 953it [17:33, 1.05s/it] 954it [17:34, 1.05s/it] 955it [17:35, 1.06s/it] 956it [17:36, 1.05s/it] 957it [17:37, 1.04s/it] 958it [17:38, 1.05s/it] 959it [17:39, 1.06s/it] 960it [17:40, 1.07s/it] 961it [17:41, 1.06s/it] 962it [17:42, 1.06s/it] 963it [17:43, 1.05s/it] 964it [17:44, 1.04s/it] 965it [17:45, 1.04s/it] 966it [17:46, 1.04s/it] 967it [17:47, 1.04s/it] 968it [17:48, 1.04s/it] 969it [17:49, 1.05s/it] 970it [17:50, 1.06s/it] 971it [17:52, 1.06s/it] 972it [17:53, 1.06s/it] 973it [17:54, 1.06s/it] 974it [17:55, 1.06s/it] 975it [17:56, 1.06s/it] 976it [17:57, 1.06s/it] 977it [17:58, 1.05s/it] 978it [17:59, 1.06s/it] 979it [18:00, 1.05s/it] 980it [18:01, 1.05s/it] 981it [18:02, 1.06s/it] 982it [18:03, 1.04s/it] 983it [18:04, 1.03s/it] 984it [18:05, 1.02s/it] 985it [18:06, 1.03s/it] 986it [18:07, 1.03s/it] 987it [18:08, 1.03s/it] 988it [18:09, 1.03s/it] 989it [18:10, 1.03s/it] 990it [18:11, 1.04s/it] 991it [18:12, 1.05s/it] 992it [18:13, 1.04s/it] 993it [18:14, 1.03s/it] 994it [18:15, 1.03s/it] 995it [18:16, 1.03s/it] 996it [18:18, 1.03s/it] 997it [18:19, 1.03s/it] 998it [18:20, 1.03s/it] 999it [18:21, 1.03s/it] 1000it [18:22, 1.03s/it] 1000it [18:22, 1.10s/it] Enumerated peptides: Number of peptides: 1000000 Conversion errors: SMILES: 0 ⏰ Completed process in 0:18:22.134320 0it [00:00, ?it/s] 1it [00:11, 11.37s/it] 2it [00:22, 11.37s/it] 3it [00:34, 11.40s/it] 4it [00:45, 11.34s/it] 5it [00:56, 11.25s/it] 6it [01:07, 11.25s/it] 7it [01:18, 11.24s/it] 8it [01:30, 11.26s/it] 9it [01:41, 11.24s/it] 10it [01:52, 11.22s/it] 11it [02:03, 11.22s/it] 12it [02:15, 11.25s/it] 13it [02:26, 11.27s/it] 14it [02:37, 11.26s/it] 15it [02:48, 11.25s/it] 16it [03:00, 11.22s/it] 17it [03:11, 11.20s/it] 18it [03:22, 11.19s/it] 19it [03:33, 11.23s/it] 20it [03:44, 11.19s/it] 21it [03:55, 11.15s/it] 22it [04:06, 11.11s/it] 23it [04:18, 11.10s/it] 24it [04:29, 11.17s/it] 25it [04:40, 11.19s/it] 26it [04:52, 11.26s/it] 27it [05:03, 11.31s/it] 28it [05:14, 11.32s/it] 29it [05:26, 11.40s/it] 30it [05:37, 11.43s/it] 31it [05:49, 11.41s/it] 32it [06:00, 11.45s/it] 33it [06:12, 11.45s/it] 34it [06:23, 11.44s/it] 35it [06:35, 11.45s/it] 36it [06:46, 11.44s/it] 37it [06:58, 11.47s/it] 38it [07:09, 11.50s/it] 39it [07:21, 11.46s/it] 40it [07:32, 11.50s/it] 41it [07:44, 11.48s/it] 42it [07:55, 11.46s/it] 43it [08:06, 11.46s/it] 44it [08:18, 11.45s/it] 45it [08:29, 11.47s/it] 46it [08:41, 11.42s/it] 47it [08:52, 11.42s/it] 48it [09:04, 11.43s/it] 49it [09:15, 11.39s/it] 50it [09:26, 11.30s/it] 51it [09:37, 11.25s/it] 52it [09:48, 11.24s/it] 53it [09:59, 11.24s/it] 54it [10:11, 11.25s/it] 55it [10:22, 11.31s/it] 56it [10:34, 11.36s/it] 57it [10:45, 11.31s/it] 58it [10:56, 11.31s/it] 59it [11:08, 11.32s/it] 60it [11:19, 11.34s/it] 61it [11:30, 11.35s/it] 62it [11:41, 11.18s/it] 63it [11:52, 11.13s/it] 64it [12:03, 11.13s/it] 65it [12:14, 11.14s/it] 66it [12:26, 11.22s/it] 67it [12:37, 11.31s/it] 68it [12:49, 11.35s/it] 69it [13:00, 11.44s/it] 70it [13:12, 11.45s/it] 71it [13:23, 11.40s/it] 72it [13:35, 11.41s/it] 73it [13:46, 11.38s/it] 74it [13:57, 11.38s/it] 75it [14:09, 11.42s/it] 76it [14:20, 11.44s/it] 77it [14:32, 11.41s/it] 78it [14:43, 11.42s/it] 79it [14:54, 11.39s/it] 80it [15:06, 11.37s/it] 81it [15:17, 11.41s/it] 82it [15:29, 11.40s/it] 83it [15:40, 11.36s/it] 84it [15:51, 11.38s/it] 85it [16:03, 11.38s/it] 86it [16:14, 11.22s/it] 87it [16:25, 11.16s/it] 88it [16:36, 11.23s/it] 89it [16:47, 11.30s/it] 90it [16:59, 11.49s/it] 91it [17:11, 11.62s/it] 92it [17:23, 11.66s/it] 93it [17:35, 11.66s/it] 94it [17:46, 11.59s/it] 95it [17:58, 11.54s/it] 96it [18:09, 11.51s/it] 97it [18:21, 11.51s/it] 98it [18:32, 11.49s/it] 99it [18:44, 11.52s/it] 100it [18:55, 11.49s/it] 101it [19:06, 11.47s/it] 102it [19:18, 11.44s/it] 103it [19:29, 11.43s/it] 104it [19:41, 11.45s/it] 105it [19:52, 11.42s/it] 106it [20:04, 11.44s/it] 107it [20:15, 11.45s/it] 108it [20:26, 11.42s/it] 109it [20:38, 11.42s/it] 110it [20:49, 11.39s/it] 111it [21:00, 11.39s/it] 112it [21:12, 11.37s/it] 113it [21:23, 11.34s/it] 114it [21:34, 11.35s/it] 115it [21:46, 11.35s/it] 116it [21:57, 11.34s/it] 117it [22:08, 11.29s/it] 118it [22:20, 11.29s/it] 119it [22:31, 11.30s/it] 120it [22:42, 11.30s/it] 121it [22:53, 11.30s/it] 122it [23:05, 11.33s/it] 123it [23:16, 11.37s/it] 124it [23:28, 11.41s/it] 125it [23:39, 11.43s/it] 126it [23:51, 11.40s/it] 127it [24:02, 11.39s/it] 128it [24:13, 11.36s/it] 129it [24:25, 11.35s/it] 130it [24:36, 11.37s/it] 131it [24:47, 11.35s/it] 132it [24:59, 11.33s/it] 133it [25:10, 11.32s/it] 134it [25:21, 11.32s/it] 135it [25:33, 11.34s/it] 136it [25:44, 11.34s/it] 137it [25:55, 11.33s/it] 138it [26:07, 11.33s/it] 139it [26:18, 11.32s/it] 140it [26:29, 11.32s/it] 141it [26:40, 11.29s/it] 142it [26:52, 11.33s/it] 143it [27:03, 11.31s/it] 144it [27:14, 11.31s/it] 145it [27:26, 11.30s/it] 146it [27:37, 11.28s/it] 147it [27:48, 11.31s/it] 148it [28:00, 11.30s/it] 149it [28:11, 11.29s/it] 150it [28:22, 11.30s/it] 151it [28:34, 11.30s/it] 152it [28:45, 11.31s/it] 153it [28:56, 11.30s/it] 154it [29:08, 11.32s/it] 155it [29:19, 11.32s/it] 156it [29:30, 11.30s/it] 157it [29:41, 11.28s/it] 158it [29:53, 11.29s/it] 159it [30:04, 11.31s/it] 160it [30:15, 11.28s/it] 161it [30:27, 11.29s/it] 162it [30:38, 11.26s/it] 163it [30:49, 11.22s/it] 164it [31:00, 11.19s/it] 165it [31:11, 11.16s/it] 166it [31:22, 11.08s/it] 167it [31:33, 11.07s/it] 168it [31:44, 11.05s/it] 169it [31:55, 11.05s/it] 170it [32:06, 11.06s/it] 171it [32:17, 11.10s/it] 172it [32:29, 11.17s/it] 173it [32:40, 11.17s/it] 174it [32:51, 11.17s/it] 175it [33:02, 11.19s/it] 176it [33:13, 11.20s/it] 177it [33:25, 11.19s/it] 178it [33:36, 11.19s/it] 179it [33:47, 11.25s/it] 180it [33:58, 11.25s/it] 181it [34:10, 11.23s/it] 182it [34:21, 11.24s/it] 183it [34:32, 11.23s/it] 184it [34:43, 11.22s/it] 185it [34:55, 11.23s/it] 186it [35:06, 11.27s/it] 187it [35:17, 11.29s/it] 188it [35:29, 11.30s/it] 189it [35:40, 11.30s/it] 190it [35:51, 11.31s/it] 191it [36:02, 11.28s/it] 192it [36:14, 11.23s/it] 193it [36:25, 11.23s/it] 194it [36:36, 11.23s/it] 195it [36:47, 11.22s/it] 196it [36:58, 11.22s/it] 197it [37:10, 11.22s/it] 198it [37:21, 11.26s/it] 199it [37:32, 11.28s/it] 200it [37:43, 11.25s/it] 201it [37:55, 11.27s/it] 202it [38:06, 11.29s/it] 203it [38:17, 11.29s/it] 204it [38:29, 11.37s/it] 205it [38:40, 11.41s/it] 206it [38:52, 11.38s/it] 207it [39:03, 11.38s/it] 208it [39:14, 11.36s/it] 209it [39:26, 11.36s/it] 210it [39:37, 11.36s/it] 211it [39:49, 11.37s/it] 212it [40:00, 11.44s/it] 213it [40:12, 11.46s/it] 214it [40:23, 11.45s/it] 215it [40:35, 11.44s/it] 216it [40:46, 11.47s/it] 217it [40:58, 11.53s/it] 218it [41:09, 11.50s/it] 219it [41:21, 11.49s/it] 220it [41:32, 11.53s/it] 221it [41:44, 11.55s/it] 222it [41:56, 11.58s/it] 223it [42:07, 11.59s/it] 224it [42:19, 11.59s/it] 225it [42:30, 11.57s/it] 226it [42:42, 11.62s/it] 227it [42:53, 11.55s/it] 228it [43:05, 11.57s/it] 229it [43:16, 11.55s/it] 230it [43:28, 11.54s/it] 231it [43:39, 11.52s/it] 232it [43:51, 11.49s/it] 233it [44:02, 11.48s/it] 234it [44:14, 11.49s/it] 235it [44:25, 11.49s/it] 236it [44:37, 11.46s/it] 237it [44:48, 11.46s/it] 238it [45:00, 11.48s/it] 239it [45:11, 11.51s/it] 240it [45:23, 11.51s/it] 241it [45:34, 11.54s/it] 242it [45:46, 11.51s/it] 243it [45:57, 11.49s/it] 244it [46:09, 11.53s/it] 245it [46:20, 11.50s/it] 246it [46:32, 11.48s/it] 247it [46:43, 11.50s/it] 248it [46:55, 11.51s/it] 249it [47:07, 11.55s/it] 250it [47:18, 11.50s/it] 251it [47:29, 11.46s/it] 252it [47:41, 11.49s/it] 253it [47:52, 11.49s/it] 254it [48:04, 11.46s/it] 255it [48:15, 11.46s/it] 256it [48:27, 11.43s/it] 257it [48:38, 11.42s/it] 258it [48:49, 11.43s/it] 259it [49:01, 11.43s/it] 260it [49:12, 11.44s/it] 261it [49:24, 11.41s/it] 262it [49:35, 11.38s/it] 263it [49:46, 11.38s/it] 264it [49:58, 11.40s/it] 265it [50:09, 11.41s/it] 266it [50:21, 11.43s/it] 267it [50:32, 11.39s/it] 268it [50:43, 11.38s/it] 269it [50:55, 11.38s/it] 270it [51:06, 11.33s/it] 271it [51:17, 11.28s/it] 272it [51:28, 11.32s/it] 273it [51:40, 11.30s/it] 274it [51:51, 11.30s/it] 275it [52:02, 11.32s/it] 276it [52:14, 11.32s/it] 277it [52:25, 11.30s/it] 278it [52:36, 11.31s/it] 279it [52:48, 11.29s/it] 280it [52:59, 11.27s/it] 281it [53:10, 11.30s/it] 282it [53:21, 11.28s/it] 283it [53:33, 11.28s/it] 284it [53:44, 11.30s/it] 285it [53:55, 11.33s/it] 286it [54:07, 11.42s/it] 287it [54:19, 11.47s/it] 288it [54:30, 11.55s/it] 289it [54:42, 11.54s/it] 290it [54:53, 11.56s/it] 291it [55:05, 11.54s/it] 292it [55:17, 11.55s/it] 293it [55:28, 11.52s/it] 294it [55:40, 11.56s/it] 295it [55:51, 11.59s/it] 296it [56:03, 11.60s/it] 297it [56:15, 11.60s/it] 298it [56:26, 11.59s/it] 299it [56:38, 11.64s/it] 300it [56:49, 11.62s/it] 301it [57:01, 11.63s/it] 302it [57:12, 11.55s/it] 303it [57:24, 11.52s/it] 304it [57:35, 11.51s/it] 305it [57:47, 11.52s/it] 306it [57:59, 11.53s/it] 307it [58:10, 11.53s/it] 308it [58:22, 11.54s/it] 309it [58:33, 11.49s/it] 310it [58:44, 11.46s/it] 311it [58:56, 11.48s/it] 312it [59:07, 11.47s/it] 313it [59:19, 11.49s/it] 314it [59:30, 11.46s/it] 315it [59:42, 11.44s/it] 316it [59:53, 11.46s/it] 317it [1:00:05, 11.47s/it] 318it [1:00:16, 11.44s/it] 319it [1:00:28, 11.46s/it] 320it [1:00:39, 11.43s/it] 321it [1:00:50, 11.35s/it] 322it [1:01:01, 11.34s/it] 323it [1:01:13, 11.35s/it] 324it [1:01:24, 11.41s/it] 325it [1:01:36, 11.41s/it] 326it [1:01:47, 11.41s/it] 327it [1:01:58, 11.37s/it] 328it [1:02:10, 11.34s/it] 329it [1:02:21, 11.47s/it] 330it [1:02:39, 13.17s/it] 331it [1:02:50, 12.62s/it] 332it [1:03:01, 12.23s/it] 333it [1:03:12, 11.93s/it] 334it [1:03:24, 11.74s/it] 335it [1:03:35, 11.64s/it] 336it [1:03:46, 11.55s/it] 337it [1:03:58, 11.50s/it] 338it [1:04:09, 11.44s/it] 339it [1:04:20, 11.40s/it] 340it [1:04:32, 11.40s/it] 341it [1:04:43, 11.39s/it] 342it [1:04:55, 11.38s/it] 343it [1:05:06, 11.36s/it] 344it [1:05:17, 11.35s/it] 345it [1:05:29, 11.33s/it] 346it [1:05:40, 11.34s/it] 347it [1:05:51, 11.34s/it] 348it [1:06:03, 11.35s/it] 349it [1:06:14, 11.31s/it] 350it [1:06:25, 11.28s/it] 351it [1:06:36, 11.28s/it] 352it [1:06:48, 11.27s/it] 353it [1:06:59, 11.24s/it] 354it [1:07:10, 11.23s/it] 355it [1:07:21, 11.21s/it] 356it [1:07:32, 11.11s/it] 357it [1:07:43, 10.97s/it] 358it [1:07:53, 10.93s/it] 359it [1:08:05, 10.98s/it] 360it [1:08:16, 11.00s/it] 361it [1:08:27, 11.00s/it] 362it [1:08:38, 11.03s/it] 363it [1:08:49, 11.02s/it] 364it [1:09:00, 11.03s/it] 365it [1:09:11, 11.07s/it] 366it [1:09:22, 11.13s/it] 367it [1:09:33, 11.14s/it] 368it [1:09:45, 11.20s/it] 369it [1:09:56, 11.23s/it] 370it [1:10:07, 11.22s/it] 371it [1:10:18, 11.18s/it] 372it [1:10:29, 11.18s/it] 373it [1:10:41, 11.17s/it] 374it [1:10:52, 11.18s/it] 375it [1:11:03, 11.25s/it] 376it [1:11:15, 11.32s/it] 377it [1:11:26, 11.34s/it] 378it [1:11:37, 11.33s/it] 379it [1:11:49, 11.29s/it] 380it [1:12:00, 11.34s/it] 381it [1:12:11, 11.33s/it] 382it [1:12:23, 11.38s/it] 383it [1:12:34, 11.35s/it] 384it [1:12:45, 11.30s/it] 385it [1:12:56, 11.25s/it] 386it [1:13:07, 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10.49s/it] 831it [2:35:22, 10.49s/it] 832it [2:35:33, 10.48s/it] 833it [2:35:43, 10.47s/it] 834it [2:35:53, 10.46s/it] 835it [2:36:04, 10.46s/it] 836it [2:36:14, 10.48s/it] 837it [2:36:25, 10.48s/it] 838it [2:36:35, 10.49s/it] 839it [2:36:46, 10.48s/it] 840it [2:36:56, 10.48s/it] 841it [2:37:07, 10.50s/it] 842it [2:37:18, 10.52s/it] 843it [2:37:28, 10.53s/it] 844it [2:37:39, 10.55s/it] 845it [2:37:49, 10.54s/it] 846it [2:38:00, 10.54s/it] 847it [2:38:10, 10.53s/it] 848it [2:38:21, 10.53s/it] 849it [2:38:31, 10.53s/it] 850it [2:38:42, 10.52s/it] 851it [2:38:52, 10.50s/it] 852it [2:39:03, 10.50s/it] 853it [2:39:13, 10.50s/it] 854it [2:39:24, 10.49s/it] 855it [2:39:34, 10.48s/it] 856it [2:39:45, 10.48s/it] 857it [2:39:55, 10.47s/it] 858it [2:40:06, 10.48s/it] 859it [2:40:16, 10.46s/it] 860it [2:40:26, 10.47s/it] 861it [2:40:37, 10.52s/it] 862it [2:40:48, 10.52s/it] 863it [2:40:58, 10.54s/it] 864it [2:41:09, 10.54s/it] 865it [2:41:19, 10.53s/it] 866it [2:41:30, 10.53s/it] 867it [2:41:40, 10.53s/it] 868it [2:41:51, 10.53s/it] 869it [2:42:01, 10.53s/it] 870it [2:42:12, 10.53s/it] 871it [2:42:22, 10.54s/it] 872it [2:42:33, 10.52s/it] 873it [2:42:43, 10.50s/it] 874it [2:42:54, 10.51s/it] 875it [2:43:05, 10.53s/it] 876it [2:43:15, 10.55s/it] 877it [2:43:26, 10.55s/it] 878it [2:43:36, 10.57s/it] 879it [2:43:47, 10.62s/it] 880it [2:43:58, 10.67s/it] 881it [2:44:09, 10.68s/it] 882it [2:44:19, 10.70s/it] 883it [2:44:30, 10.69s/it] 884it [2:44:41, 10.70s/it] 885it [2:44:51, 10.70s/it] 886it [2:45:02, 10.69s/it] 887it [2:45:13, 10.67s/it] 888it [2:45:23, 10.70s/it] 889it [2:45:34, 10.69s/it] 890it [2:45:45, 10.70s/it] 891it [2:45:56, 10.72s/it] 892it [2:46:06, 10.70s/it] 893it [2:46:17, 10.70s/it] 894it [2:46:28, 10.72s/it] 895it [2:46:39, 10.76s/it] 896it [2:46:50, 10.82s/it] 897it [2:47:00, 10.83s/it] 898it [2:47:11, 10.83s/it] 899it [2:47:22, 10.82s/it] 900it [2:47:33, 10.76s/it] 901it [2:47:43, 10.68s/it] 902it [2:47:54, 10.66s/it] 903it [2:48:04, 10.63s/it] 904it [2:48:15, 10.62s/it] 905it [2:48:25, 10.61s/it] 906it [2:48:36, 10.61s/it] 907it [2:48:47, 10.61s/it] 908it [2:48:57, 10.63s/it] 909it [2:49:08, 10.63s/it] 910it [2:49:19, 10.62s/it] 911it [2:49:29, 10.62s/it] 912it [2:49:40, 10.61s/it] 913it [2:49:50, 10.62s/it] 914it [2:50:01, 10.63s/it] 915it [2:50:12, 10.63s/it] 916it [2:50:22, 10.63s/it] 917it [2:50:33, 10.63s/it] 918it [2:50:44, 10.65s/it] 919it [2:50:54, 10.67s/it] 920it [2:51:05, 10.68s/it] 921it [2:51:16, 10.67s/it] 922it [2:51:26, 10.65s/it] 923it [2:51:37, 10.66s/it] 924it [2:51:48, 10.70s/it] 925it [2:51:59, 10.70s/it] 926it [2:52:09, 10.64s/it] 927it [2:52:20, 10.64s/it] 928it [2:52:30, 10.61s/it] 929it [2:52:41, 10.59s/it] 930it [2:52:51, 10.54s/it] 931it [2:53:02, 10.55s/it] 932it [2:53:12, 10.53s/it] 933it [2:53:23, 10.54s/it] 934it [2:53:33, 10.54s/it] 935it [2:53:44, 10.54s/it] 936it [2:53:54, 10.55s/it] 937it [2:54:05, 10.55s/it] 938it [2:54:16, 10.55s/it] 939it [2:54:26, 10.56s/it] 940it [2:54:37, 10.54s/it] 941it [2:54:47, 10.55s/it] 942it [2:54:58, 10.57s/it] 943it [2:55:08, 10.58s/it] 944it [2:55:19, 10.57s/it] 945it [2:55:30, 10.59s/it] 946it [2:55:40, 10.57s/it] 947it [2:55:51, 10.59s/it] 948it [2:56:01, 10.57s/it] 949it [2:56:12, 10.57s/it] 950it [2:56:22, 10.54s/it] 951it [2:56:33, 10.53s/it] 952it [2:56:43, 10.54s/it] 953it [2:56:54, 10.53s/it] 954it [2:57:04, 10.53s/it] 955it [2:57:15, 10.53s/it] 956it [2:57:25, 10.52s/it] 957it [2:57:36, 10.52s/it] 958it [2:57:47, 10.53s/it] 959it [2:57:57, 10.53s/it] 960it [2:58:08, 10.51s/it] 961it [2:58:18, 10.52s/it] 962it [2:58:29, 10.51s/it] 963it [2:58:39, 10.49s/it] 964it [2:58:49, 10.49s/it] 965it [2:59:00, 10.47s/it] 966it [2:59:10, 10.48s/it] 967it [2:59:21, 10.46s/it] 968it [2:59:31, 10.47s/it] 969it [2:59:42, 10.49s/it] 970it [2:59:52, 10.50s/it] 971it [3:00:03, 10.51s/it] 972it [3:00:13, 10.52s/it] 973it [3:00:24, 10.50s/it] 974it [3:00:34, 10.51s/it] 975it [3:00:45, 10.50s/it] 976it [3:00:55, 10.49s/it] 977it [3:01:06, 10.51s/it] 978it [3:01:16, 10.52s/it] 979it [3:01:27, 10.56s/it] 980it [3:01:38, 10.55s/it] 981it [3:01:48, 10.54s/it] 982it [3:01:59, 10.52s/it] 983it [3:02:09, 10.53s/it] 984it [3:02:20, 10.51s/it] 985it [3:02:30, 10.49s/it] 986it [3:02:41, 10.48s/it] 987it [3:02:51, 10.49s/it] 988it [3:03:02, 10.48s/it] 989it [3:03:12, 10.47s/it] 990it [3:03:22, 10.46s/it] 991it [3:03:33, 10.47s/it] 992it [3:03:43, 10.47s/it] 993it [3:03:54, 10.45s/it] 994it [3:04:04, 10.46s/it] 995it [3:04:15, 10.44s/it] 996it [3:04:25, 10.46s/it] 997it [3:04:36, 10.49s/it] 998it [3:04:46, 10.47s/it] 999it [3:04:57, 10.46s/it] 1000it [3:05:07, 10.44s/it] 1000it [3:05:07, 11.11s/it] Error counts: linear_id: 0 linear_inchikey: 0 linear_scaffold: 0 linear_mwt: 0 linear_clogp: 0 linear_tpsa: 0 ⏰ Completed process in 3:23:30.565500 0it [00:00, ?it/s] 1it [00:08, 8.68s/it] 2it [00:17, 8.63s/it] 3it [00:25, 8.62s/it] 4it [00:34, 8.62s/it] 5it [00:43, 8.63s/it] 6it [00:51, 8.62s/it] 7it [01:00, 8.63s/it] 8it [01:09, 8.63s/it] 9it [01:17, 8.61s/it] 10it [01:26, 8.59s/it] 11it [01:34, 8.61s/it] 12it [01:43, 8.60s/it] 13it [01:51, 8.59s/it] 14it [02:00, 8.58s/it] 15it [02:09, 8.59s/it] 16it [02:17, 8.59s/it] 17it [02:26, 8.59s/it] 18it [02:34, 8.58s/it] 19it [02:43, 8.61s/it] 20it [02:52, 8.58s/it] 21it [03:00, 8.59s/it] 22it [03:09, 8.60s/it] 23it [03:17, 8.61s/it] 24it [03:26, 8.63s/it] 25it [03:35, 8.66s/it] 26it [03:44, 8.68s/it] 27it [03:52, 8.66s/it] 28it [04:01, 8.64s/it] 29it [04:09, 8.62s/it] 30it [04:18, 8.64s/it] 31it [04:27, 8.63s/it] 32it [04:35, 8.63s/it] 33it [04:44, 8.64s/it] 34it [04:53, 8.64s/it] 35it [05:01, 8.68s/it] 36it [05:10, 8.71s/it] 37it [05:19, 8.75s/it] 38it [05:28, 8.79s/it] 39it [05:37, 8.78s/it] 40it [05:45, 8.79s/it] 41it [05:54, 8.73s/it] 42it [06:03, 8.68s/it] 43it [06:11, 8.65s/it] 44it [06:20, 8.63s/it] 45it [06:28, 8.60s/it] 46it [06:37, 8.58s/it] 47it [06:45, 8.57s/it] 48it [06:54, 8.56s/it] 49it [07:02, 8.53s/it] 50it [07:11, 8.50s/it] 51it [07:19, 8.48s/it] 52it [07:28, 8.49s/it] 53it [07:36, 8.47s/it] 54it [07:45, 8.49s/it] 55it [07:53, 8.49s/it] 56it [08:02, 8.49s/it] 57it [08:10, 8.50s/it] 58it [08:19, 8.48s/it] 59it [08:27, 8.47s/it] 60it [08:35, 8.46s/it] 61it [08:44, 8.48s/it] 62it [08:52, 8.48s/it] 63it [09:01, 8.48s/it] 64it [09:10, 8.50s/it] 65it [09:18, 8.49s/it] 66it [09:26, 8.48s/it] 67it [09:35, 8.47s/it] 68it [09:43, 8.49s/it] 69it [09:52, 8.49s/it] 70it [10:00, 8.47s/it] 71it [10:09, 8.45s/it] 72it [10:17, 8.47s/it] 73it [10:26, 8.45s/it] 74it [10:34, 8.46s/it] 75it [10:43, 8.46s/it] 76it [10:51, 8.45s/it] 77it [10:59, 8.46s/it] 78it [11:08, 8.46s/it] 79it [11:16, 8.43s/it] 80it [11:25, 8.44s/it] 81it [11:33, 8.45s/it] 82it [11:42, 8.46s/it] 83it [11:50, 8.45s/it] 84it [11:59, 8.44s/it] 85it [12:07, 8.44s/it] 86it [12:16, 8.47s/it] 87it [12:24, 8.49s/it] 88it [12:33, 8.50s/it] 89it [12:41, 8.50s/it] 90it [12:50, 8.48s/it] 91it [12:58, 8.48s/it] 92it [13:06, 8.46s/it] 93it [13:15, 8.45s/it] 94it [13:23, 8.47s/it] 95it [13:32, 8.49s/it] 96it [13:40, 8.50s/it] 97it [13:49, 8.50s/it] 98it [13:57, 8.50s/it] 99it [14:06, 8.51s/it] 100it [14:15, 8.53s/it] 101it [14:23, 8.56s/it] 102it [14:32, 8.54s/it] 103it [14:40, 8.53s/it] 104it [14:49, 8.53s/it] 105it [14:57, 8.53s/it] 106it [15:06, 8.52s/it] 107it [15:14, 8.50s/it] 108it [15:23, 8.49s/it] 109it [15:31, 8.50s/it] 110it [15:40, 8.50s/it] 111it [15:48, 8.49s/it] 112it [15:57, 8.48s/it] 113it [16:05, 8.47s/it] 114it [16:14, 8.47s/it] 115it [16:22, 8.47s/it] 116it [16:31, 8.48s/it] 117it [16:39, 8.46s/it] 118it [16:47, 8.45s/it] 119it [16:56, 8.45s/it] 120it [17:04, 8.44s/it] 121it [17:13, 8.42s/it] 122it [17:21, 8.43s/it] 123it [17:29, 8.42s/it] 124it [17:38, 8.42s/it] 125it [17:46, 8.43s/it] 126it [17:55, 8.41s/it] 127it [18:03, 8.39s/it] 128it [18:11, 8.39s/it] 129it [18:20, 8.39s/it] 130it [18:28, 8.38s/it] 131it [18:37, 8.38s/it] 132it [18:45, 8.39s/it] 133it [18:53, 8.38s/it] 134it [19:02, 8.39s/it] 135it [19:10, 8.41s/it] 136it [19:19, 8.40s/it] 137it [19:27, 8.39s/it] 138it [19:35, 8.40s/it] 139it [19:44, 8.42s/it] 140it [19:52, 8.41s/it] 141it [20:01, 8.40s/it] 142it [20:09, 8.41s/it] 143it [20:17, 8.40s/it] 144it [20:26, 8.41s/it] 145it [20:34, 8.39s/it] 146it [20:43, 8.39s/it] 147it [20:51, 8.38s/it] 148it [20:59, 8.36s/it] 149it [21:08, 8.35s/it] 150it [21:16, 8.35s/it] 151it [21:24, 8.35s/it] 152it [21:33, 8.36s/it] 153it [21:41, 8.34s/it] 154it [21:49, 8.37s/it] 155it [21:58, 8.37s/it] 156it [22:06, 8.36s/it] 157it [22:14, 8.37s/it] 158it [22:23, 8.38s/it] 159it [22:31, 8.39s/it] 160it [22:40, 8.39s/it] 161it [22:48, 8.37s/it] 162it [22:56, 8.37s/it] 163it [23:05, 8.36s/it] 164it [23:13, 8.37s/it] 165it [23:21, 8.38s/it] 166it [23:30, 8.36s/it] 167it [23:38, 8.37s/it] 168it [23:47, 8.36s/it] 169it [23:55, 8.36s/it] 170it [24:03, 8.35s/it] 171it [24:12, 8.35s/it] 172it [24:20, 8.35s/it] 173it [24:28, 8.35s/it] 174it [24:37, 8.34s/it] 175it [24:45, 8.34s/it] 176it [24:53, 8.35s/it] 177it [25:02, 8.35s/it] 178it [25:10, 8.36s/it] 179it [25:18, 8.37s/it] 180it [25:27, 8.35s/it] 181it [25:35, 8.35s/it] 182it [25:43, 8.35s/it] 183it [25:52, 8.39s/it] 184it [26:00, 8.40s/it] 185it [26:09, 8.40s/it] 186it [26:17, 8.39s/it] 187it [26:25, 8.37s/it] 188it [26:34, 8.36s/it] 189it [26:42, 8.34s/it] 190it [26:50, 8.33s/it] 191it [26:59, 8.33s/it] 192it [27:07, 8.33s/it] 193it [27:15, 8.34s/it] 194it [27:24, 8.34s/it] 195it [27:32, 8.33s/it] 196it [27:40, 8.33s/it] 197it [27:49, 8.33s/it] 198it [27:57, 8.34s/it] 199it [28:05, 8.35s/it] 200it [28:14, 8.34s/it] 201it [28:22, 8.34s/it] 202it [28:30, 8.34s/it] 203it [28:39, 8.35s/it] 204it [28:47, 8.35s/it] 205it [28:55, 8.34s/it] 206it [29:04, 8.36s/it] 207it [29:12, 8.35s/it] 208it [29:21, 8.36s/it] 209it [29:29, 8.37s/it] 210it [29:37, 8.37s/it] 211it [29:46, 8.38s/it] 212it [29:54, 8.40s/it] 213it [30:03, 8.40s/it] 214it [30:11, 8.38s/it] 215it [30:19, 8.38s/it] 216it [30:28, 8.37s/it] 217it [30:36, 8.36s/it] 218it [30:44, 8.36s/it] 219it [30:53, 8.36s/it] 220it [31:01, 8.36s/it] 221it 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697it [1:37:37, 8.40s/it] 698it [1:37:45, 8.41s/it] 699it [1:37:53, 8.39s/it] 700it [1:38:02, 8.39s/it] 701it [1:38:10, 8.39s/it] 702it [1:38:19, 8.40s/it] 703it [1:38:27, 8.43s/it] 704it [1:38:36, 8.46s/it] 705it [1:38:44, 8.49s/it] 706it [1:38:53, 8.48s/it] 707it [1:39:01, 8.48s/it] 708it [1:39:10, 8.50s/it] 709it [1:39:18, 8.51s/it] 710it [1:39:27, 8.50s/it] 711it [1:39:35, 8.50s/it] 712it [1:39:44, 8.51s/it] 713it [1:39:52, 8.50s/it] 714it [1:40:01, 8.52s/it] 715it [1:40:09, 8.51s/it] 716it [1:40:18, 8.51s/it] 717it [1:40:26, 8.54s/it] 718it [1:40:35, 8.56s/it] 719it [1:40:44, 8.57s/it] 720it [1:40:52, 8.59s/it] 721it [1:41:01, 8.58s/it] 722it [1:41:09, 8.57s/it] 723it [1:41:18, 8.56s/it] 724it [1:41:26, 8.54s/it] 725it [1:41:35, 8.55s/it] 726it [1:41:44, 8.54s/it] 727it [1:41:52, 8.54s/it] 728it [1:42:01, 8.53s/it] 729it [1:42:09, 8.55s/it] 730it [1:42:18, 8.55s/it] 731it [1:42:26, 8.53s/it] 732it [1:42:35, 8.54s/it] 733it [1:42:43, 8.53s/it] 734it [1:42:52, 8.53s/it] 735it [1:43:00, 8.54s/it] 736it [1:43:09, 8.54s/it] 737it [1:43:18, 8.58s/it] 738it [1:43:26, 8.57s/it] 739it [1:43:35, 8.59s/it] 740it [1:43:43, 8.61s/it] 741it [1:43:52, 8.61s/it] 742it [1:44:01, 8.61s/it] 743it [1:44:09, 8.64s/it] 744it [1:44:18, 8.66s/it] 745it [1:44:27, 8.68s/it] 746it [1:44:35, 8.68s/it] 747it [1:44:44, 8.70s/it] 748it [1:44:53, 8.70s/it] 749it [1:45:02, 8.73s/it] 750it [1:45:10, 8.72s/it] 751it [1:45:19, 8.73s/it] 752it [1:45:28, 8.72s/it] 753it [1:45:37, 8.72s/it] 754it [1:45:45, 8.72s/it] 755it [1:45:54, 8.73s/it] 756it [1:46:03, 8.73s/it] 757it [1:46:11, 8.71s/it] 758it [1:46:20, 8.70s/it] 759it [1:46:29, 8.69s/it] 760it [1:46:37, 8.70s/it] 761it [1:46:46, 8.70s/it] 762it [1:46:55, 8.70s/it] 763it [1:47:04, 8.71s/it] 764it [1:47:12, 8.71s/it] 765it [1:47:21, 8.70s/it] 766it [1:47:30, 8.68s/it] 767it [1:47:38, 8.68s/it] 768it [1:47:47, 8.69s/it] 769it [1:47:56, 8.68s/it] 770it [1:48:04, 8.68s/it] 771it [1:48:13, 8.69s/it] 772it [1:48:22, 8.69s/it] 773it [1:48:30, 8.68s/it] 774it [1:48:39, 8.67s/it] 775it [1:48:48, 8.66s/it] 776it [1:48:56, 8.64s/it] 777it [1:49:05, 8.64s/it] 778it [1:49:14, 8.67s/it] 779it [1:49:22, 8.67s/it] 780it [1:49:31, 8.67s/it] 781it [1:49:40, 8.64s/it] 782it [1:49:48, 8.64s/it] 783it [1:49:57, 8.62s/it] 784it [1:50:06, 8.64s/it] 785it [1:50:14, 8.62s/it] 786it [1:50:23, 8.66s/it] 787it [1:50:31, 8.61s/it] 788it [1:50:40, 8.59s/it] 789it [1:50:49, 8.61s/it] 790it [1:50:57, 8.60s/it] 791it [1:51:06, 8.59s/it] 792it [1:51:14, 8.60s/it] 793it [1:51:23, 8.59s/it] 794it [1:51:31, 8.56s/it] 795it [1:51:40, 8.58s/it] 796it [1:51:48, 8.56s/it] 797it [1:51:57, 8.55s/it] 798it [1:52:06, 8.55s/it] 799it [1:52:14, 8.55s/it] 800it [1:52:23, 8.54s/it] 801it [1:52:31, 8.54s/it] 802it [1:52:40, 8.54s/it] 803it [1:52:48, 8.53s/it] 804it [1:52:57, 8.54s/it] 805it [1:53:05, 8.53s/it] 806it [1:53:14, 8.53s/it] 807it [1:53:22, 8.53s/it] 808it [1:53:31, 8.51s/it] 809it [1:53:39, 8.50s/it] 810it [1:53:48, 8.47s/it] 811it [1:53:56, 8.47s/it] 812it [1:54:05, 8.45s/it] 813it [1:54:13, 8.45s/it] 814it [1:54:21, 8.44s/it] 815it [1:54:30, 8.43s/it] 816it [1:54:38, 8.41s/it] 817it [1:54:47, 8.41s/it] 818it [1:54:55, 8.40s/it] 819it [1:55:03, 8.40s/it] 820it [1:55:12, 8.40s/it] 821it [1:55:20, 8.39s/it] 822it [1:55:29, 8.39s/it] 823it [1:55:37, 8.38s/it] 824it [1:55:45, 8.39s/it] 825it [1:55:54, 8.39s/it] 826it [1:56:02, 8.38s/it] 827it [1:56:10, 8.37s/it] 828it [1:56:19, 8.38s/it] 829it [1:56:27, 8.38s/it] 830it [1:56:36, 8.39s/it] 831it [1:56:44, 8.38s/it] 832it [1:56:52, 8.36s/it] 833it [1:57:01, 8.38s/it] 834it [1:57:09, 8.38s/it] 835it [1:57:17, 8.40s/it] 836it [1:57:26, 8.42s/it] 837it [1:57:34, 8.44s/it] 838it [1:57:43, 8.46s/it] 839it [1:57:51, 8.46s/it] 840it [1:58:00, 8.45s/it] 841it [1:58:08, 8.44s/it] 842it [1:58:17, 8.43s/it] 843it [1:58:25, 8.42s/it] 844it [1:58:34, 8.44s/it] 845it [1:58:42, 8.42s/it] 846it [1:58:50, 8.41s/it] 847it [1:58:59, 8.41s/it] 848it [1:59:07, 8.41s/it] 849it [1:59:15, 8.39s/it] 850it [1:59:24, 8.42s/it] 851it [1:59:32, 8.39s/it] 852it [1:59:41, 8.38s/it] 853it [1:59:49, 8.37s/it] 854it [1:59:57, 8.38s/it] 855it [2:00:06, 8.37s/it] 856it [2:00:14, 8.36s/it] 857it [2:00:22, 8.37s/it] 858it [2:00:31, 8.36s/it] 859it [2:00:39, 8.33s/it] 860it [2:00:47, 8.33s/it] 861it [2:00:56, 8.32s/it] 862it [2:01:04, 8.32s/it] 863it [2:01:12, 8.33s/it] 864it [2:01:21, 8.33s/it] 865it [2:01:29, 8.32s/it] 866it [2:01:37, 8.33s/it] 867it [2:01:46, 8.34s/it] 868it [2:01:54, 8.32s/it] 869it [2:02:02, 8.33s/it] 870it [2:02:11, 8.33s/it] 871it [2:02:19, 8.33s/it] 872it [2:02:27, 8.31s/it] 873it [2:02:36, 8.30s/it] 874it [2:02:44, 8.30s/it] 875it [2:02:52, 8.31s/it] 876it [2:03:01, 8.32s/it] 877it [2:03:09, 8.33s/it] 878it [2:03:17, 8.33s/it] 879it [2:03:26, 8.35s/it] 880it [2:03:34, 8.37s/it] 881it [2:03:42, 8.36s/it] 882it [2:03:51, 8.36s/it] 883it [2:03:59, 8.34s/it] 884it [2:04:07, 8.34s/it] 885it [2:04:16, 8.34s/it] 886it [2:04:24, 8.35s/it] 887it [2:04:32, 8.34s/it] 888it [2:04:41, 8.34s/it] 889it [2:04:49, 8.33s/it] 890it [2:04:57, 8.34s/it] 891it [2:05:06, 8.34s/it] 892it [2:05:14, 8.35s/it] 893it [2:05:22, 8.33s/it] 894it [2:05:31, 8.34s/it] 895it [2:05:39, 8.35s/it] 896it [2:05:48, 8.36s/it] 897it [2:05:56, 8.34s/it] 898it [2:06:04, 8.33s/it] 899it [2:06:12, 8.33s/it] 900it [2:06:21, 8.33s/it] 901it [2:06:29, 8.33s/it] 902it [2:06:37, 8.34s/it] 903it [2:06:46, 8.34s/it] 904it [2:06:54, 8.35s/it] 905it [2:07:03, 8.38s/it] 906it [2:07:11, 8.38s/it] 907it [2:07:20, 8.41s/it] 908it [2:07:28, 8.43s/it] 909it [2:07:36, 8.43s/it] 910it [2:07:45, 8.38s/it] 911it [2:07:53, 8.37s/it] 912it [2:08:01, 8.38s/it] 913it [2:08:10, 8.37s/it] 914it [2:08:18, 8.35s/it] 915it [2:08:26, 8.34s/it] 916it [2:08:35, 8.35s/it] 917it [2:08:43, 8.38s/it] 918it [2:08:52, 8.36s/it] 919it [2:09:00, 8.37s/it] 920it [2:09:08, 8.39s/it] 921it [2:09:17, 8.36s/it] 922it [2:09:25, 8.35s/it] 923it [2:09:33, 8.36s/it] 924it [2:09:42, 8.34s/it] 925it [2:09:50, 8.31s/it] 926it [2:09:58, 8.30s/it] 927it [2:10:07, 8.31s/it] 928it [2:10:15, 8.30s/it] 929it [2:10:23, 8.28s/it] 930it [2:10:31, 8.25s/it] 931it [2:10:40, 8.27s/it] 932it [2:10:48, 8.26s/it] 933it [2:10:56, 8.26s/it] 934it [2:11:04, 8.28s/it] 935it [2:11:13, 8.25s/it] 936it [2:11:21, 8.25s/it] 937it [2:11:29, 8.24s/it] 938it [2:11:37, 8.24s/it] 939it [2:11:46, 8.27s/it] 940it [2:11:54, 8.24s/it] 941it [2:12:02, 8.23s/it] 942it [2:12:10, 8.23s/it] 943it [2:12:18, 8.22s/it] 944it [2:12:27, 8.20s/it] 945it [2:12:35, 8.21s/it] 946it [2:12:43, 8.21s/it] 947it [2:12:51, 8.22s/it] 948it [2:12:59, 8.21s/it] 949it [2:13:08, 8.22s/it] 950it [2:13:16, 8.20s/it] 951it [2:13:24, 8.20s/it] 952it [2:13:32, 8.21s/it] 953it [2:13:40, 8.20s/it] 954it [2:13:49, 8.20s/it] 955it [2:13:57, 8.19s/it] 956it [2:14:05, 8.19s/it] 957it [2:14:13, 8.20s/it] 958it [2:14:21, 8.21s/it] 959it [2:14:30, 8.21s/it] 960it [2:14:38, 8.20s/it] 961it [2:14:46, 8.21s/it] 962it [2:14:54, 8.21s/it] 963it [2:15:02, 8.21s/it] 964it [2:15:11, 8.20s/it] 965it [2:15:19, 8.19s/it] 966it [2:15:27, 8.19s/it] 967it [2:15:35, 8.19s/it] 968it [2:15:43, 8.19s/it] 969it [2:15:52, 8.17s/it] 970it [2:16:00, 8.17s/it] 971it [2:16:08, 8.18s/it] 972it [2:16:16, 8.17s/it] 973it [2:16:24, 8.17s/it] 974it [2:16:32, 8.17s/it] 975it [2:16:41, 8.17s/it] 976it [2:16:49, 8.18s/it] 977it [2:16:57, 8.18s/it] 978it [2:17:05, 8.18s/it] 979it [2:17:13, 8.17s/it] 980it [2:17:21, 8.16s/it] 981it [2:17:30, 8.16s/it] 982it [2:17:38, 8.16s/it] 983it [2:17:46, 8.17s/it] 984it [2:17:54, 8.17s/it] 985it [2:18:02, 8.17s/it] 986it [2:18:10, 8.18s/it] 987it [2:18:19, 8.19s/it] 988it [2:18:27, 8.19s/it] 989it [2:18:35, 8.20s/it] 990it [2:18:43, 8.19s/it] 991it [2:18:51, 8.21s/it] 992it [2:19:00, 8.19s/it] 993it [2:19:08, 8.19s/it] 994it [2:19:16, 8.19s/it] 995it [2:19:24, 8.20s/it] 996it [2:19:33, 8.22s/it] 997it [2:19:41, 8.23s/it] 998it [2:19:49, 8.22s/it] 999it [2:19:57, 8.24s/it] 1000it [2:20:05, 8.23s/it] 1000it [2:20:05, 8.41s/it] Error counts: cysteine_to_N_cyclization: 0 ⏰ Completed process in 5:43:37.206561 0it [00:00, ?it/s] 1it [00:10, 10.69s/it] 2it [00:21, 10.60s/it] 3it [00:31, 10.59s/it] 4it [00:42, 10.59s/it] 5it [00:52, 10.59s/it] 6it [01:03, 10.59s/it] 7it [01:14, 10.60s/it] 8it [01:24, 10.63s/it] 9it [01:35, 10.63s/it] 10it [01:46, 10.63s/it] 11it [01:56, 10.65s/it] 12it [02:07, 10.68s/it] 13it [02:18, 10.68s/it] 14it [02:29, 10.70s/it] 15it [02:39, 10.77s/it] 16it [02:50, 10.84s/it] 17it [03:01, 10.87s/it] 18it [03:12, 10.88s/it] 19it [03:23, 10.89s/it] 20it [03:34, 10.89s/it] 21it [03:45, 10.89s/it] 22it [03:56, 10.87s/it] 23it [04:07, 10.89s/it] 24it [04:18, 10.93s/it] 25it [04:29, 10.93s/it] 26it [04:40, 10.93s/it] 27it [04:51, 10.96s/it] 28it [05:02, 10.93s/it] 29it [05:12, 10.93s/it] 30it [05:24, 10.96s/it] 31it [05:34, 10.96s/it] 32it [05:45, 10.96s/it] 33it [05:56, 10.98s/it] 34it [06:07, 10.99s/it] 35it [06:18, 10.95s/it] 36it [06:29, 10.93s/it] 37it [06:40, 10.93s/it] 38it [06:51, 10.96s/it] 39it [07:02, 10.95s/it] 40it [07:13, 10.97s/it] 41it [07:24, 10.96s/it] 42it [07:35, 10.96s/it] 43it [07:46, 10.95s/it] 44it [07:57, 10.95s/it] 45it [08:08, 10.94s/it] 46it [08:19, 10.93s/it] 47it [08:30, 10.95s/it] 48it [08:41, 10.96s/it] 49it [08:52, 10.94s/it] 50it [09:02, 10.91s/it] 51it [09:13, 10.89s/it] 52it [09:24, 10.89s/it] 53it [09:35, 10.86s/it] 54it [09:46, 10.88s/it] 55it [09:57, 10.87s/it] 56it [10:08, 10.87s/it] 57it [10:18, 10.85s/it] 58it [10:29, 10.79s/it] 59it [10:40, 10.78s/it] 60it [10:51, 10.78s/it] 61it [11:01, 10.76s/it] 62it [11:12, 10.71s/it] 63it [11:23, 10.72s/it] 64it [11:34, 10.78s/it] 65it [11:44, 10.76s/it] 66it [11:55, 10.72s/it] 67it [12:06, 10.69s/it] 68it [12:16, 10.70s/it] 69it [12:27, 10.69s/it] 70it [12:38, 10.74s/it] 71it [12:49, 10.79s/it] 72it [13:00, 10.82s/it] 73it [13:10, 10.82s/it] 74it [13:21, 10.84s/it] 75it [13:32, 10.84s/it] 76it [13:43, 10.83s/it] 77it [13:54, 10.86s/it] 78it [14:05, 10.90s/it] 79it [14:16, 10.87s/it] 80it [14:27, 10.90s/it] 81it [14:38, 10.92s/it] 82it [14:48, 10.89s/it] 83it [14:59, 10.86s/it] 84it [15:10, 10.88s/it] 85it [15:21, 10.87s/it] 86it [15:32, 10.90s/it] 87it [15:43, 10.91s/it] 88it [15:54, 10.90s/it] 89it [16:05, 10.90s/it] 90it [16:16, 10.90s/it] 91it [16:26, 10.90s/it] 92it [16:37, 10.92s/it] 93it [16:48, 10.90s/it] 94it [16:59, 10.89s/it] 95it [17:10, 10.90s/it] 96it [17:21, 10.89s/it] 97it [17:32, 10.88s/it] 98it [17:43, 10.88s/it] 99it [17:54, 10.90s/it] 100it [18:05, 10.92s/it] 101it [18:16, 10.93s/it] 102it [18:26, 10.92s/it] 103it [18:37, 10.90s/it] 104it [18:48, 10.91s/it] 105it [18:59, 10.91s/it] 106it [19:10, 10.97s/it] 107it [19:21, 10.99s/it] 108it [19:32, 10.94s/it] 109it [19:43, 10.95s/it] 110it [19:54, 10.94s/it] 111it [20:05, 10.91s/it] 112it [20:16, 10.87s/it] 113it [20:26, 10.82s/it] 114it [20:37, 10.81s/it] 115it [20:48, 10.80s/it] 116it [20:59, 10.81s/it] 117it [21:10, 10.82s/it] 118it [21:20, 10.82s/it] 119it [21:31, 10.85s/it] 120it [21:42, 10.85s/it] 121it [21:53, 10.86s/it] 122it [22:04, 10.89s/it] 123it [22:15, 10.89s/it] 124it [22:26, 10.89s/it] 125it [22:37, 10.91s/it] 126it [22:48, 10.90s/it] 127it [22:58, 10.90s/it] 128it [23:09, 10.90s/it] 129it [23:20, 10.89s/it] 130it [23:31, 10.89s/it] 131it [23:42, 10.91s/it] 132it [23:53, 10.90s/it] 133it [24:04, 10.90s/it] 134it [24:15, 10.91s/it] 135it [24:26, 10.94s/it] 136it [24:37, 10.94s/it] 137it [24:48, 10.97s/it] 138it [24:59, 10.98s/it] 139it [25:10, 11.01s/it] 140it [25:21, 11.03s/it] 141it [25:32, 11.03s/it] 142it [25:43, 11.10s/it] 143it [25:54, 11.13s/it] 144it [26:06, 11.17s/it] 145it [26:17, 11.14s/it] 146it [26:28, 11.11s/it] 147it [26:39, 11.09s/it] 148it [26:50, 11.04s/it] 149it [27:01, 11.04s/it] 150it [27:12, 11.05s/it] 151it [27:23, 11.04s/it] 152it [27:34, 11.04s/it] 153it [27:45, 11.03s/it] 154it [27:56, 11.05s/it] 155it [28:07, 11.05s/it] 156it [28:18, 11.04s/it] 157it [28:29, 11.02s/it] 158it [28:40, 11.05s/it] 159it [28:51, 11.06s/it] 160it [29:02, 11.06s/it] 161it [29:13, 11.08s/it] 162it [29:25, 11.07s/it] 163it [29:36, 11.08s/it] 164it [29:47, 11.07s/it] 165it [29:58, 11.07s/it] 166it [30:09, 11.04s/it] 167it [30:20, 11.07s/it] 168it [30:31, 11.05s/it] 169it [30:42, 11.04s/it] 170it [30:53, 11.04s/it] 171it [31:04, 11.05s/it] 172it [31:15, 11.05s/it] 173it [31:26, 11.06s/it] 174it [31:37, 11.06s/it] 175it [31:48, 11.04s/it] 176it [31:59, 11.05s/it] 177it [32:10, 11.04s/it] 178it [32:21, 11.02s/it] 179it [32:32, 11.04s/it] 180it [32:43, 11.04s/it] 181it [32:54, 11.03s/it] 182it [33:05, 11.03s/it] 183it [33:16, 11.03s/it] 184it [33:27, 11.02s/it] 185it [33:38, 11.03s/it] 186it [33:50, 11.04s/it] 187it [34:01, 11.05s/it] 188it [34:12, 11.03s/it] 189it [34:23, 11.02s/it] 190it [34:34, 11.02s/it] 191it [34:45, 11.01s/it] 192it [34:56, 11.01s/it] 193it [35:07, 11.03s/it] 194it [35:18, 11.04s/it] 195it [35:29, 11.05s/it] 196it [35:40, 11.03s/it] 197it [35:51, 11.03s/it] 198it [36:02, 11.05s/it] 199it [36:13, 11.03s/it] 200it [36:24, 11.07s/it] 201it [36:35, 11.08s/it] 202it [36:46, 11.04s/it] 203it [36:57, 11.02s/it] 204it [37:08, 11.04s/it] 205it [37:19, 11.01s/it] 206it [37:30, 11.02s/it] 207it [37:41, 11.02s/it] 208it [37:52, 11.02s/it] 209it [38:03, 11.05s/it] 210it [38:14, 11.04s/it] 211it [38:25, 11.04s/it] 212it [38:36, 11.05s/it] 213it [38:48, 11.07s/it] 214it [38:59, 11.05s/it] 215it [39:10, 11.03s/it] 216it [39:21, 11.00s/it] 217it [39:31, 10.99s/it] 218it [39:42, 10.98s/it] 219it [39:53, 10.97s/it] 220it [40:04, 10.98s/it] 221it [40:15, 10.97s/it] 222it [40:26, 10.97s/it] 223it [40:37, 10.94s/it] 224it [40:48, 10.96s/it] 225it [40:59, 10.94s/it] 226it [41:10, 10.95s/it] 227it [41:21, 10.93s/it] 228it [41:32, 10.94s/it] 229it [41:43, 10.91s/it] 230it [41:54, 10.91s/it] 231it [42:05, 10.91s/it] 232it [42:15, 10.89s/it] 233it [42:26, 10.91s/it] 234it [42:37, 10.91s/it] 235it [42:48, 10.91s/it] 236it [42:59, 10.99s/it] 237it [43:10, 10.98s/it] 238it [43:21, 10.99s/it] 239it [43:32, 10.99s/it] 240it [43:43, 10.98s/it] 241it [43:54, 10.98s/it] 242it [44:05, 10.98s/it] 243it [44:16, 10.97s/it] 244it [44:27, 10.97s/it] 245it [44:38, 10.98s/it] 246it [44:49, 11.00s/it] 247it [45:00, 10.97s/it] 248it [45:11, 10.96s/it] 249it [45:22, 10.96s/it] 250it [45:33, 10.95s/it] 251it [45:44, 10.94s/it] 252it [45:55, 10.96s/it] 253it [46:06, 10.97s/it] 254it [46:17, 10.98s/it] 255it [46:28, 10.97s/it] 256it [46:39, 10.97s/it] 257it [46:50, 10.98s/it] 258it [47:01, 10.96s/it] 259it [47:12, 10.96s/it] 260it [47:23, 10.99s/it] 261it [47:34, 11.01s/it] 262it [47:45, 10.98s/it] 263it [47:56, 10.99s/it] 264it [48:07, 11.00s/it] 265it [48:18, 11.04s/it] 266it [48:29, 11.06s/it] 267it [48:40, 11.11s/it] 268it [48:51, 11.16s/it] 269it [49:03, 11.17s/it] 270it [49:14, 11.14s/it] 271it [49:25, 11.11s/it] 272it [49:36, 11.11s/it] 273it [49:47, 11.11s/it] 274it [49:58, 11.13s/it] 275it [50:09, 11.19s/it] 276it [50:21, 11.18s/it] 277it [50:32, 11.15s/it] 278it [50:43, 11.17s/it] 279it [50:54, 11.18s/it] 280it [51:05, 11.17s/it] 281it [51:16, 11.17s/it] 282it [51:28, 11.17s/it] 283it [51:39, 11.17s/it] 284it [51:50, 11.15s/it] 285it [52:01, 11.13s/it] 286it [52:12, 11.11s/it] 287it [52:23, 11.16s/it] 288it [52:35, 11.18s/it] 289it [52:46, 11.15s/it] 290it [52:57, 11.16s/it] 291it [53:08, 11.16s/it] 292it [53:19, 11.17s/it] 293it [53:30, 11.14s/it] 294it [53:41, 11.15s/it] 295it [53:52, 11.13s/it] 296it [54:04, 11.12s/it] 297it [54:15, 11.10s/it] 298it [54:26, 11.09s/it] 299it [54:37, 11.08s/it] 300it [54:48, 11.06s/it] 301it [54:59, 11.08s/it] 302it [55:10, 11.06s/it] 303it [55:21, 11.08s/it] 304it [55:32, 11.07s/it] 305it [55:43, 11.06s/it] 306it [55:54, 11.05s/it] 307it [56:05, 11.02s/it] 308it [56:16, 11.03s/it] 309it [56:27, 11.01s/it] 310it [56:38, 11.01s/it] 311it [56:49, 11.07s/it] 312it [57:00, 11.04s/it] 313it [57:11, 11.04s/it] 314it [57:22, 11.06s/it] 315it [57:33, 11.06s/it] 316it [57:45, 11.06s/it] 317it [57:56, 11.08s/it] 318it [58:07, 11.08s/it] 319it [58:18, 11.11s/it] 320it [58:29, 11.11s/it] 321it [58:40, 11.11s/it] 322it [58:51, 11.11s/it] 323it [59:02, 11.10s/it] 324it [59:13, 11.11s/it] 325it [59:25, 11.10s/it] 326it [59:36, 11.08s/it] 327it [59:47, 11.09s/it] 328it [59:58, 11.07s/it] 329it [1:00:09, 11.07s/it] 330it [1:00:20, 11.11s/it] 331it [1:00:31, 11.09s/it] 332it [1:00:42, 11.08s/it] 333it [1:00:53, 11.07s/it] 334it [1:01:04, 11.08s/it] 335it [1:01:15, 11.10s/it] 336it [1:01:26, 11.09s/it] 337it [1:01:38, 11.10s/it] 338it [1:01:49, 11.06s/it] 339it [1:02:00, 11.08s/it] 340it [1:02:11, 11.06s/it] 341it [1:02:22, 11.07s/it] 342it [1:02:33, 11.06s/it] 343it [1:02:44, 11.05s/it] 344it [1:02:55, 11.11s/it] 345it [1:03:06, 11.12s/it] 346it [1:03:17, 11.11s/it] 347it [1:03:28, 11.08s/it] 348it [1:03:39, 11.09s/it] 349it [1:03:50, 11.06s/it] 350it [1:04:02, 11.07s/it] 351it [1:04:13, 11.08s/it] 352it [1:04:24, 11.05s/it] 353it [1:04:35, 11.07s/it] 354it [1:04:46, 11.07s/it] 355it [1:04:57, 11.07s/it] 356it [1:05:08, 11.07s/it] 357it [1:05:19, 11.07s/it] 358it [1:05:30, 11.07s/it] 359it [1:05:41, 11.06s/it] 360it [1:05:52, 11.05s/it] 361it [1:06:03, 11.06s/it] 362it [1:06:14, 11.04s/it] 363it [1:06:25, 11.07s/it] 364it [1:06:36, 11.07s/it] 365it [1:06:47, 11.07s/it] 366it [1:06:59, 11.06s/it] 367it [1:07:09, 10.98s/it] 368it [1:07:20, 10.98s/it] 369it [1:07:31, 10.99s/it] 370it [1:07:42, 10.97s/it] 371it [1:07:53, 10.97s/it] 372it [1:08:04, 10.97s/it] 373it [1:08:15, 10.96s/it] 374it [1:08:26, 10.98s/it] 375it [1:08:37, 10.96s/it] 376it [1:08:48, 10.95s/it] 377it [1:08:59, 11.01s/it] 378it [1:09:10, 11.00s/it] 379it [1:09:21, 10.98s/it] 380it [1:09:32, 10.98s/it] 381it [1:09:43, 10.95s/it] 382it [1:09:54, 10.94s/it] 383it [1:10:05, 10.93s/it] 384it [1:10:16, 10.94s/it] 385it [1:10:27, 10.95s/it] 386it [1:10:38, 10.95s/it] 387it [1:10:49, 10.95s/it] 388it [1:10:59, 10.95s/it] 389it [1:11:10, 10.92s/it] 390it [1:11:21, 10.93s/it] 391it [1:11:32, 10.93s/it] 392it [1:11:43, 10.93s/it] 393it [1:11:54, 10.94s/it] 394it [1:12:05, 10.93s/it] 395it [1:12:16, 10.92s/it] 396it [1:12:27, 10.92s/it] 397it [1:12:38, 10.89s/it] 398it [1:12:49, 10.89s/it] 399it [1:12:59, 10.87s/it] 400it [1:13:10, 10.91s/it] 401it [1:13:21, 10.94s/it] 402it [1:13:32, 10.93s/it] 403it [1:13:43, 10.92s/it] 404it [1:13:54, 10.89s/it] 405it [1:14:05, 10.88s/it] 406it [1:14:16, 10.91s/it] 407it [1:14:27, 10.90s/it] 408it [1:14:38, 10.89s/it] 409it [1:14:48, 10.87s/it] 410it [1:14:59, 10.87s/it] 411it [1:15:10, 10.86s/it] 412it [1:15:21, 10.89s/it] 413it [1:15:32, 10.89s/it] 414it [1:15:43, 10.88s/it] 415it [1:15:54, 10.88s/it] 416it [1:16:05, 10.88s/it] 417it [1:16:16, 10.91s/it] 418it [1:16:27, 10.92s/it] 419it [1:16:38, 10.94s/it] 420it [1:16:48, 10.92s/it] 421it [1:16:59, 10.91s/it] 422it [1:17:10, 10.90s/it] 423it [1:17:21, 10.88s/it] 424it [1:17:32, 10.89s/it] 425it [1:17:43, 10.90s/it] 426it [1:17:54, 10.89s/it] 427it [1:18:05, 10.91s/it] 428it [1:18:16, 11.01s/it] 429it [1:18:27, 10.98s/it] 430it [1:18:38, 10.95s/it] 431it [1:18:49, 10.92s/it] 432it [1:18:59, 10.89s/it] 433it [1:19:10, 10.92s/it] 434it [1:19:21, 10.89s/it] 435it [1:19:32, 10.87s/it] 436it [1:19:43, 10.86s/it] 437it [1:19:54, 10.83s/it] 438it [1:20:05, 10.88s/it] 439it [1:20:15, 10.85s/it] 440it [1:20:26, 10.85s/it] 441it [1:20:37, 10.86s/it] 442it [1:20:48, 10.85s/it] 443it [1:20:59, 10.81s/it] 444it [1:21:09, 10.78s/it] 445it [1:21:20, 10.75s/it] 446it [1:21:31, 10.71s/it] 447it [1:21:41, 10.68s/it] 448it [1:21:52, 10.67s/it] 449it [1:22:02, 10.64s/it] 450it [1:22:13, 10.63s/it] 451it [1:22:24, 10.63s/it] 452it [1:22:34, 10.62s/it] 453it [1:22:45, 10.60s/it] 454it [1:22:55, 10.61s/it] 455it [1:23:06, 10.58s/it] 456it [1:23:17, 10.60s/it] 457it [1:23:27, 10.60s/it] 458it [1:23:38, 10.59s/it] 459it [1:23:48, 10.60s/it] 460it [1:23:59, 10.60s/it] 461it [1:24:10, 10.62s/it] 462it [1:24:20, 10.59s/it] 463it [1:24:31, 10.57s/it] 464it [1:24:41, 10.56s/it] 465it [1:24:52, 10.55s/it] 466it [1:25:02, 10.56s/it] 467it [1:25:13, 10.56s/it] 468it [1:25:23, 10.54s/it] 469it [1:25:34, 10.56s/it] 470it [1:25:45, 10.57s/it] 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952it [2:50:44, 10.54s/it] 953it [2:50:54, 10.54s/it] 954it [2:51:05, 10.55s/it] 955it [2:51:16, 10.54s/it] 956it [2:51:26, 10.54s/it] 957it [2:51:37, 10.55s/it] 958it [2:51:47, 10.57s/it] 959it [2:51:58, 10.56s/it] 960it [2:52:08, 10.56s/it] 961it [2:52:19, 10.56s/it] 962it [2:52:29, 10.56s/it] 963it [2:52:40, 10.56s/it] 964it [2:52:51, 10.56s/it] 965it [2:53:01, 10.55s/it] 966it [2:53:12, 10.54s/it] 967it [2:53:22, 10.52s/it] 968it [2:53:33, 10.54s/it] 969it [2:53:43, 10.54s/it] 970it [2:53:54, 10.53s/it] 971it [2:54:04, 10.54s/it] 972it [2:54:15, 10.54s/it] 973it [2:54:25, 10.54s/it] 974it [2:54:36, 10.54s/it] 975it [2:54:47, 10.55s/it] 976it [2:54:57, 10.54s/it] 977it [2:55:08, 10.54s/it] 978it [2:55:18, 10.51s/it] 979it [2:55:29, 10.52s/it] 980it [2:55:39, 10.52s/it] 981it [2:55:50, 10.51s/it] 982it [2:56:00, 10.51s/it] 983it [2:56:11, 10.53s/it] 984it [2:56:21, 10.53s/it] 985it [2:56:32, 10.53s/it] 986it [2:56:42, 10.54s/it] 987it [2:56:53, 10.53s/it] 988it [2:57:03, 10.53s/it] 989it [2:57:14, 10.54s/it] 990it [2:57:24, 10.54s/it] 991it [2:57:35, 10.57s/it] 992it [2:57:46, 10.57s/it] 993it [2:57:56, 10.55s/it] 994it [2:58:07, 10.55s/it] 995it [2:58:17, 10.54s/it] 996it [2:58:28, 10.57s/it] 997it [2:58:38, 10.58s/it] 998it [2:58:49, 10.56s/it] 999it [2:59:00, 10.57s/it] 1000it [2:59:10, 10.55s/it] 1000it [2:59:10, 10.75s/it] Error counts: cyclic_id: 0 cyclic_inchikey: 0 cyclic_scaffold: 0 cyclic_mwt: 0 cyclic_clogp: 0 cyclic_tpsa: 0 ⏰ Completed process in 8:42:48.907480 0it [00:00, ?it/s] 1it [00:00, 7.48it/s] 2it [00:00, 8.35it/s] 3it [00:00, 8.82it/s] 4it [00:00, 9.05it/s] 5it [00:00, 9.20it/s] 6it [00:00, 9.32it/s] 7it [00:00, 9.41it/s] 8it [00:00, 9.47it/s] 9it [00:00, 9.45it/s] 10it [00:01, 9.49it/s] 11it [00:01, 9.47it/s] 12it [00:01, 9.50it/s] 13it [00:01, 9.51it/s] 14it [00:01, 9.52it/s] 15it [00:01, 9.53it/s] 16it [00:01, 9.51it/s] 17it [00:01, 9.48it/s] 18it [00:01, 9.46it/s] 19it [00:02, 9.46it/s] 20it [00:02, 9.49it/s] 21it [00:02, 9.44it/s] 22it [00:02, 9.44it/s] 23it [00:02, 9.47it/s] 24it [00:02, 9.49it/s] 25it [00:02, 9.46it/s] 26it [00:02, 9.47it/s] 27it [00:02, 9.49it/s] 28it [00:02, 9.51it/s] 29it [00:03, 9.48it/s] 30it [00:03, 9.51it/s] 31it [00:03, 9.50it/s] 32it [00:03, 9.49it/s] 33it [00:03, 9.48it/s] 34it [00:03, 9.49it/s] 35it [00:03, 9.51it/s] 36it [00:03, 9.56it/s] 37it [00:03, 9.55it/s] 38it [00:04, 9.51it/s] 39it [00:04, 9.46it/s] 40it [00:04, 9.47it/s] 41it [00:04, 9.49it/s] 42it [00:04, 9.53it/s] 43it [00:04, 9.48it/s] 44it [00:04, 9.48it/s] 45it [00:04, 9.48it/s] 46it [00:04, 9.51it/s] 47it [00:04, 9.49it/s] 48it [00:05, 9.50it/s] 49it [00:05, 9.53it/s] 50it [00:05, 9.56it/s] 51it [00:05, 9.53it/s] 52it [00:05, 9.52it/s] 53it [00:05, 9.51it/s] 54it [00:05, 9.54it/s] 55it [00:05, 9.57it/s] 56it [00:05, 9.49it/s] 57it [00:06, 9.50it/s] 58it [00:06, 9.51it/s] 59it [00:06, 9.53it/s] 60it [00:06, 9.57it/s] 61it [00:06, 9.52it/s] 62it [00:06, 9.51it/s] 63it [00:06, 9.51it/s] 64it [00:06, 9.44it/s] 65it [00:06, 9.49it/s] 66it [00:06, 9.51it/s] 67it [00:07, 9.52it/s] 68it [00:07, 9.50it/s] 69it [00:07, 9.51it/s] 70it [00:07, 9.53it/s] 71it [00:07, 9.49it/s] 72it [00:07, 9.47it/s] 73it [00:07, 9.49it/s] 74it [00:07, 9.51it/s] 75it [00:07, 9.52it/s] 76it [00:08, 9.49it/s] 77it [00:08, 9.52it/s] 78it [00:08, 9.51it/s] 79it [00:08, 9.53it/s] 80it [00:08, 9.52it/s] 81it [00:08, 9.52it/s] 82it [00:08, 9.53it/s] 83it [00:08, 9.54it/s] 84it [00:08, 9.54it/s] 85it [00:08, 9.49it/s] 86it [00:09, 9.48it/s] 87it [00:09, 9.52it/s] 88it [00:09, 9.52it/s] 89it [00:09, 9.51it/s] 90it [00:09, 9.54it/s] 91it [00:09, 9.47it/s] 92it [00:09, 9.49it/s] 93it [00:09, 9.49it/s] 94it [00:09, 9.51it/s] 95it [00:10, 9.50it/s] 96it [00:10, 9.48it/s] 97it [00:10, 9.46it/s] 98it [00:10, 9.48it/s] 99it [00:10, 9.48it/s] 100it [00:10, 9.50it/s] 101it [00:10, 9.43it/s] 102it [00:10, 9.44it/s] 103it [00:10, 9.46it/s] 104it [00:10, 9.42it/s] 105it [00:11, 9.43it/s] 106it [00:11, 9.42it/s] 107it [00:11, 9.48it/s] 108it [00:11, 9.46it/s] 109it [00:11, 9.46it/s] 110it [00:11, 9.48it/s] 111it [00:11, 9.46it/s] 112it [00:11, 9.43it/s] 113it [00:11, 9.48it/s] 114it [00:12, 9.48it/s] 115it [00:12, 9.54it/s] 116it [00:12, 9.54it/s] 117it [00:12, 9.51it/s] 118it [00:12, 9.50it/s] 119it [00:12, 9.50it/s] 120it [00:12, 9.49it/s] 121it [00:12, 9.45it/s] 122it [00:12, 9.43it/s] 123it [00:12, 9.42it/s] 124it [00:13, 9.39it/s] 125it [00:13, 9.41it/s] 126it [00:13, 9.44it/s] 127it [00:13, 9.44it/s] 128it [00:13, 9.44it/s] 129it [00:13, 9.45it/s] 130it [00:13, 9.48it/s] 131it [00:13, 9.51it/s] 132it [00:13, 9.48it/s] 133it [00:14, 9.47it/s] 134it [00:14, 9.48it/s] 135it [00:14, 9.50it/s] 136it [00:14, 9.47it/s] 137it [00:14, 9.45it/s] 138it [00:14, 9.46it/s] 139it [00:14, 9.48it/s] 140it [00:14, 9.52it/s] 141it [00:14, 9.49it/s] 142it [00:14, 9.48it/s] 143it [00:15, 9.49it/s] 144it [00:15, 9.51it/s] 145it [00:15, 9.48it/s] 146it [00:15, 9.46it/s] 147it [00:15, 9.49it/s] 148it [00:15, 9.54it/s] 149it [00:15, 9.55it/s] 150it [00:15, 9.52it/s] 151it [00:15, 9.51it/s] 152it [00:16, 9.49it/s] 153it [00:16, 9.46it/s] 154it [00:16, 9.47it/s] 155it [00:16, 9.50it/s] 156it [00:16, 9.52it/s] 157it [00:16, 9.50it/s] 158it [00:16, 9.47it/s] 159it [00:16, 9.47it/s] 160it [00:16, 9.48it/s] 161it [00:16, 9.45it/s] 162it [00:17, 9.47it/s] 163it [00:17, 9.48it/s] 164it [00:17, 9.52it/s] 165it [00:17, 9.50it/s] 166it [00:17, 9.56it/s] 167it [00:17, 9.53it/s] 168it [00:17, 9.53it/s] 169it [00:17, 9.51it/s] 170it [00:17, 9.51it/s] 171it [00:18, 9.49it/s] 172it [00:18, 9.50it/s] 173it [00:18, 9.51it/s] 174it [00:18, 9.51it/s] 175it [00:18, 9.53it/s] 176it [00:18, 9.53it/s] 177it [00:18, 9.50it/s] 178it [00:18, 9.51it/s] 179it [00:18, 9.46it/s] 180it [00:18, 9.48it/s] 181it [00:19, 9.52it/s] 182it [00:19, 9.51it/s] 183it [00:19, 9.50it/s] 184it [00:19, 9.49it/s] 185it [00:19, 9.50it/s] 186it [00:19, 9.47it/s] 187it [00:19, 9.48it/s] 188it [00:19, 9.50it/s] 189it [00:19, 9.52it/s] 190it [00:20, 9.52it/s] 191it [00:20, 9.48it/s] 192it [00:20, 9.51it/s] 193it [00:20, 9.51it/s] 194it [00:20, 9.50it/s] 195it [00:20, 9.46it/s] 196it [00:20, 9.45it/s] 197it [00:20, 9.47it/s] 198it [00:20, 9.49it/s] 199it [00:20, 9.44it/s] 200it [00:21, 9.48it/s] 201it [00:21, 9.48it/s] 202it [00:21, 9.51it/s] 203it [00:21, 9.48it/s] 204it [00:21, 9.49it/s] 205it [00:21, 9.52it/s] 206it [00:21, 9.46it/s] 207it [00:21, 9.45it/s] 208it [00:21, 9.46it/s] 209it [00:22, 9.47it/s] 210it [00:22, 9.49it/s] 211it [00:22, 9.47it/s] 212it [00:22, 9.48it/s] 213it [00:22, 9.50it/s] 214it [00:22, 9.51it/s] 215it [00:22, 9.48it/s] 216it [00:22, 9.46it/s] 217it [00:22, 9.48it/s] 218it [00:23, 9.46it/s] 219it [00:23, 9.53it/s] 220it [00:23, 9.46it/s] 221it [00:23, 9.45it/s] 222it [00:23, 9.48it/s] 223it [00:23, 9.46it/s] 224it [00:23, 9.45it/s] 225it [00:23, 9.50it/s] 226it [00:23, 9.45it/s] 227it [00:23, 9.46it/s] 228it [00:24, 9.45it/s] 229it [00:24, 9.47it/s] 230it [00:24, 9.48it/s] 231it [00:24, 9.46it/s] 232it [00:24, 9.46it/s] 233it [00:24, 9.42it/s] 234it [00:24, 9.40it/s] 235it [00:24, 9.42it/s] 236it [00:24, 9.42it/s] 237it [00:25, 9.47it/s] 238it [00:25, 9.44it/s] 239it [00:25, 9.44it/s] 240it [00:25, 9.43it/s] 241it [00:25, 9.40it/s] 242it [00:25, 9.44it/s] 243it [00:25, 9.46it/s] 244it [00:25, 9.49it/s] 245it [00:25, 9.47it/s] 246it [00:25, 9.48it/s] 247it [00:26, 9.52it/s] 248it [00:26, 9.46it/s] 249it [00:26, 9.42it/s] 250it [00:26, 9.44it/s] 251it [00:26, 9.44it/s] 252it [00:26, 9.47it/s] 253it [00:26, 9.45it/s] 254it [00:26, 9.46it/s] 255it [00:26, 9.48it/s] 256it [00:27, 9.49it/s] 257it [00:27, 9.43it/s] 258it [00:27, 9.43it/s] 259it [00:27, 9.44it/s] 260it [00:27, 9.48it/s] 261it [00:27, 9.47it/s] 262it [00:27, 9.47it/s] 263it [00:27, 9.51it/s] 264it [00:27, 9.44it/s] 265it [00:27, 9.46it/s] 266it [00:28, 9.45it/s] 267it [00:28, 9.48it/s] 268it [00:28, 9.53it/s] 269it [00:28, 9.49it/s] 270it [00:28, 9.48it/s] 271it [00:28, 9.50it/s] 272it [00:28, 9.48it/s] 273it [00:28, 9.48it/s] 274it [00:28, 9.50it/s] 275it [00:29, 9.47it/s] 276it [00:29, 9.47it/s] 277it [00:29, 9.47it/s] 278it [00:29, 9.50it/s] 279it [00:29, 9.44it/s] 280it [00:29, 9.46it/s] 281it [00:29, 9.47it/s] 282it [00:29, 9.49it/s] 283it [00:29, 9.52it/s] 284it [00:29, 9.48it/s] 285it [00:30, 9.45it/s] 286it [00:30, 9.47it/s] 287it [00:30, 9.46it/s] 288it [00:30, 9.43it/s] 289it [00:30, 9.47it/s] 290it [00:30, 9.49it/s] 291it [00:30, 9.45it/s] 292it [00:30, 9.47it/s] 293it [00:30, 9.49it/s] 294it [00:31, 9.50it/s] 295it [00:31, 9.49it/s] 296it [00:31, 9.47it/s] 297it [00:31, 9.49it/s] 298it [00:31, 9.44it/s] 299it [00:31, 9.44it/s] 300it [00:31, 9.46it/s] 301it [00:31, 9.50it/s] 302it [00:31, 9.51it/s] 303it [00:31, 9.47it/s] 304it [00:32, 9.48it/s] 305it [00:32, 9.48it/s] 306it [00:32, 9.44it/s] 307it [00:32, 9.41it/s] 308it [00:32, 9.41it/s] 309it [00:32, 9.47it/s] 310it [00:32, 9.45it/s] 311it [00:32, 9.44it/s] 312it [00:32, 9.44it/s] 313it [00:33, 9.49it/s] 314it [00:33, 9.53it/s] 315it [00:33, 9.49it/s] 316it 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[01:43, 9.53it/s] 981it [01:43, 9.50it/s] 982it [01:43, 9.52it/s] 983it [01:43, 9.51it/s] 984it [01:43, 9.51it/s] 985it [01:43, 9.46it/s] 986it [01:44, 9.48it/s] 987it [01:44, 9.51it/s] 988it [01:44, 9.49it/s] 989it [01:44, 9.46it/s] 990it [01:44, 9.47it/s] 991it [01:44, 9.39it/s] 992it [01:44, 9.42it/s] 993it [01:44, 9.42it/s] 994it [01:44, 9.42it/s] 995it [01:45, 9.44it/s] 996it [01:45, 9.32it/s] 997it [01:45, 9.22it/s] 998it [01:45, 9.21it/s] 999it [01:45, 9.21it/s] 1000it [01:45, 9.24it/s] 1000it [01:45, 9.47it/s] Split counts: train: 674000 test: 164000 validation: 162000 ⏰ Completed process in 8:44:35.710304 ++ date + echo 'Sat 2 Nov 00:42:39 GMT 2024 :: 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-21000000-22000000.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-21000000-22000000.csv.gz + split_dir=20241101_peptides_6-12x100M/train ++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-21000000-22000000.csv.gz .csv.gz + split_file=20241101_peptides_6-12x100M/train/peptides_length-10_n-100000000_slice-21000000-22000000.csv.gz + mkdir -p 20241101_peptides_6-12x100M/train ++ date + echo 'Sat 2 Nov 00:42:39 GMT 2024 :: Saving train...' Sat 2 Nov 00:42:39 GMT 2024 :: Saving train... + zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-21000000-22000000.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 00:43:37 GMT 2024 :: 20241101_peptides_6-12x100M/train/peptides_length-10_n-100000000_slice-21000000-22000000.csv.gz' + for split in train test validation ++ dirname 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-21000000-22000000.csv.gz + split_dir=20241101_peptides_6-12x100M/test ++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-21000000-22000000.csv.gz .csv.gz + split_file=20241101_peptides_6-12x100M/test/peptides_length-10_n-100000000_slice-21000000-22000000.csv.gz + mkdir -p 20241101_peptides_6-12x100M/test ++ date + echo 'Sat 2 Nov 00:43:37 GMT 2024 :: Saving test...' Sat 2 Nov 00:43:37 GMT 2024 :: Saving test... + zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-21000000-22000000.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 00:44:02 GMT 2024 :: 20241101_peptides_6-12x100M/test/peptides_length-10_n-100000000_slice-21000000-22000000.csv.gz' + for split in train test validation ++ dirname 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-21000000-22000000.csv.gz + split_dir=20241101_peptides_6-12x100M/validation ++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-21000000-22000000.csv.gz .csv.gz + split_file=20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-21000000-22000000.csv.gz + mkdir -p 20241101_peptides_6-12x100M/validation ++ date + echo 'Sat 2 Nov 00:44:02 GMT 2024 :: Saving validation...' Sat 2 Nov 00:44:02 GMT 2024 :: Saving validation... + zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-21000000-22000000.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 00:44:27 GMT 2024 :: 20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-21000000-22000000.csv.gz' + '[' -e 20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-21000000-22000000.csv.gz.success ']' + rm 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-21000000-22000000.csv.gz 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-21000000-22000000.csv.gz.success + set +x Sat 2 Nov 00:44:27 GMT 2024 > Peptide generation complete