Fri 1 Nov 15:54:18 GMT 2024 > Generating peptides on cn014 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 15:54:18 GMT 2024 > Running /camp/apps/eb/software/Anaconda3/2023.03/bin/python : Python 3.10.10 Fri 1 Nov 15:54:18 GMT 2024 > Using Conda from . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Fri 1 Nov 15:54:18 GMT 2024 > Seed = 1; length = 10; max. number = 100000000; slice = 4000000 to 5000000; output dir. = 20241101_peptides_6-12x100M Fri 1 Nov 15:54:18 GMT 2024 > There are 10240000000000 peptides of length 10; generating 100000000 (0.000976563 %) Fri 1 Nov 15:54:18 GMT 2024 > Saving a slice to 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-4000000-5000000.csv.gz... + schemist enumerate --seed 1 --max-length 10 --prefix GY --suffix CGSGSGS --number 9.76563e-06 --slice 4000000 5000000 + schemist convert --column cysteine_to_N_cyclization --to id inchikey scaffold mwt clogp tpsa --prefix cyclic_ --options prefix=SCB- + tr ' ' , + schemist react --column SMILES --reaction cysteine_to_N_cyclization + schemist split --type random --train 0.7 --test 0.15 --column cysteine_to_N_cyclization --seed 1 + gzip --best + schemist convert --column SMILES --to id inchikey scaffold mwt clogp tpsa --prefix linear_ --options prefix=SCB- 🚀 Reacting peptides with the following parameters: subcommand: react output: <_io.TextIOWrapper name='' mode='w' encoding='utf-8'> format: None input: <_io.TextIOWrapper name='' mode='r' encoding='utf-8'> representation: SMILES column: SMILES name: None reaction: ['cysteine_to_N_cyclization'] func: 🚀 Converting between string representations with the following parameters: subcommand: convert output: <_io.TextIOWrapper name='' mode='w' encoding='utf-8'> format: None input: <_io.TextIOWrapper name='' mode='r' encoding='utf-8'> representation: SMILES column: 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: ['4000000', '5000000'] seed: 1 prefix: GY suffix: CGSGSGS type: aa d_aa_only: False include_d_aa: False func: Sampling 100000051 (0.000976562998046875 %) peptides from length 10 to 10 (10240000000000 combinations). Probability of collision if drawing randomly is 1.0, with 976.9924758407456 (0.000976991977574837 %) collisions on average. > Executing naive sampling. 🚀 Splitting table with the following parameters: subcommand: split output: <_io.TextIOWrapper name='' mode='w' encoding='utf-8'> format: None input: <_io.TextIOWrapper name='' mode='r' encoding='utf-8'> representation: SMILES column: cysteine_to_N_cyclization prefix: None type: random train: 0.7 test: 0.15 seed: 1 func: 🚀 Converting between string representations with the following parameters: subcommand: convert output: <_io.TextIOWrapper name='' mode='w' encoding='utf-8'> format: None input: <_io.TextIOWrapper name='' mode='r' encoding='utf-8'> representation: SMILES column: cysteine_to_N_cyclization prefix: cyclic_ to: ['id', 'inchikey', 'scaffold', 'mwt', 'clogp', 'tpsa'] options: ['prefix=SCB-'] func: 0it [00:00, ?it/s] 1it [00:07, 7.98s/it] 2it [00:08, 3.88s/it] 3it [00:09, 2.56s/it] 4it [00:10, 1.94s/it] 5it [00:11, 1.60s/it] 6it 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1.04it/s] 841it [13:47, 1.04it/s] 842it [13:48, 1.04it/s] 843it [13:49, 1.04it/s] 844it [13:50, 1.04it/s] 845it [13:51, 1.03it/s] 846it [13:52, 1.04it/s] 847it [13:53, 1.03it/s] 848it [13:54, 1.04it/s] 849it [13:55, 1.04it/s] 850it [13:56, 1.04it/s] 851it [13:57, 1.04it/s] 852it [13:58, 1.04it/s] 853it [13:58, 1.04it/s] 854it [13:59, 1.04it/s] 855it [14:00, 1.04it/s] 856it [14:01, 1.04it/s] 857it [14:02, 1.04it/s] 858it [14:03, 1.04it/s] 859it [14:04, 1.04it/s] 860it [14:05, 1.04it/s] 861it [14:06, 1.04it/s] 862it [14:07, 1.05it/s] 863it [14:08, 1.05it/s] 864it [14:09, 1.04it/s] 865it [14:10, 1.03it/s] 866it [14:11, 1.03it/s] 867it [14:12, 1.04it/s] 868it [14:13, 1.04it/s] 869it [14:14, 1.04it/s] 870it [14:15, 1.04it/s] 871it [14:16, 1.04it/s] 872it [14:17, 1.04it/s] 873it [14:18, 1.04it/s] 874it [14:19, 1.05it/s] 875it [14:20, 1.04it/s] 876it [14:21, 1.04it/s] 877it [14:22, 1.04it/s] 878it [14:22, 1.04it/s] 879it [14:23, 1.04it/s] 880it [14:24, 1.04it/s] 881it [14:25, 1.04it/s] 882it 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1.04it/s] 924it [15:07, 1.03it/s] 925it [15:08, 1.04it/s] 926it [15:09, 1.04it/s] 927it [15:10, 1.04it/s] 928it [15:11, 1.04it/s] 929it [15:12, 1.04it/s] 930it [15:12, 1.04it/s] 931it [15:13, 1.04it/s] 932it [15:14, 1.05it/s] 933it [15:15, 1.05it/s] 934it [15:16, 1.04it/s] 935it [15:17, 1.04it/s] 936it [15:18, 1.04it/s] 937it [15:19, 1.04it/s] 938it [15:20, 1.04it/s] 939it [15:21, 1.04it/s] 940it [15:22, 1.04it/s] 941it [15:23, 1.04it/s] 942it [15:24, 1.04it/s] 943it [15:25, 1.05it/s] 944it [15:26, 1.04it/s] 945it [15:27, 1.04it/s] 946it [15:28, 1.03it/s] 947it [15:29, 1.03it/s] 948it [15:30, 1.03it/s] 949it [15:31, 1.03it/s] 950it [15:32, 1.03it/s] 951it [15:33, 1.03it/s] 952it [15:34, 1.03it/s] 953it [15:35, 1.04it/s] 954it [15:36, 1.04it/s] 955it [15:37, 1.04it/s] 956it [15:38, 1.04it/s] 957it [15:38, 1.04it/s] 958it [15:39, 1.04it/s] 959it [15:40, 1.04it/s] 960it [15:41, 1.03it/s] 961it [15:42, 1.03it/s] 962it [15:43, 1.03it/s] 963it [15:44, 1.03it/s] 964it [15:45, 1.03it/s] 965it [15:46, 1.04it/s] 966it [15:47, 1.04it/s] 967it [15:48, 1.04it/s] 968it [15:49, 1.03it/s] 969it [15:50, 1.04it/s] 970it [15:51, 1.04it/s] 971it [15:52, 1.05it/s] 972it [15:53, 1.04it/s] 973it [15:54, 1.04it/s] 974it [15:55, 1.05it/s] 975it [15:56, 1.05it/s] 976it [15:57, 1.04it/s] 977it [15:58, 1.04it/s] 978it [15:59, 1.04it/s] 979it [16:00, 1.04it/s] 980it [16:01, 1.04it/s] 981it [16:02, 1.03it/s] 982it [16:03, 1.04it/s] 983it [16:04, 1.04it/s] 984it [16:04, 1.03it/s] 985it [16:05, 1.04it/s] 986it [16:06, 1.03it/s] 987it [16:07, 1.03it/s] 988it [16:08, 1.03it/s] 989it [16:09, 1.03it/s] 990it [16:10, 1.04it/s] 991it [16:11, 1.04it/s] 992it [16:12, 1.03it/s] 993it [16:13, 1.04it/s] 994it [16:14, 1.04it/s] 995it [16:15, 1.03it/s] 996it [16:16, 1.03it/s] 997it [16:17, 1.03it/s] 998it [16:18, 1.03it/s] 999it [16:19, 1.03it/s] 1000it [16:20, 1.03it/s] 1000it [16:20, 1.02it/s] Enumerated peptides: Number of peptides: 1000000 Conversion errors: SMILES: 0 ⏰ Completed process in 0:16:20.505412 0it [00:00, ?it/s] 1it [00:10, 10.79s/it] 2it [00:21, 10.62s/it] 3it [00:31, 10.56s/it] 4it [00:42, 10.55s/it] 5it [00:52, 10.53s/it] 6it [01:03, 10.52s/it] 7it [01:13, 10.49s/it] 8it [01:24, 10.47s/it] 9it [01:34, 10.47s/it] 10it [01:45, 10.48s/it] 11it [01:55, 10.47s/it] 12it [02:06, 10.46s/it] 13it [02:16, 10.46s/it] 14it [02:26, 10.45s/it] 15it [02:37, 10.44s/it] 16it [02:47, 10.45s/it] 17it [02:58, 10.45s/it] 18it [03:08, 10.46s/it] 19it [03:19, 10.44s/it] 20it [03:29, 10.44s/it] 21it [03:39, 10.44s/it] 22it [03:50, 10.41s/it] 23it [04:00, 10.42s/it] 24it [04:11, 10.43s/it] 25it [04:21, 10.45s/it] 26it [04:32, 10.44s/it] 27it [04:42, 10.44s/it] 28it [04:53, 10.44s/it] 29it [05:03, 10.43s/it] 30it [05:13, 10.43s/it] 31it [05:24, 10.44s/it] 32it [05:34, 10.45s/it] 33it [05:45, 10.48s/it] 34it [05:55, 10.47s/it] 35it [06:06, 10.49s/it] 36it [06:16, 10.48s/it] 37it [06:27, 10.45s/it] 38it [06:37, 10.46s/it] 39it [06:48, 10.45s/it] 40it [06:58, 10.44s/it] 41it [07:08, 10.43s/it] 42it [07:19, 10.43s/it] 43it [07:29, 10.44s/it] 44it [07:40, 10.43s/it] 45it [07:50, 10.43s/it] 46it [08:01, 10.41s/it] 47it [08:11, 10.42s/it] 48it [08:21, 10.45s/it] 49it [08:32, 10.46s/it] 50it [08:42, 10.44s/it] 51it [08:53, 10.44s/it] 52it [09:03, 10.45s/it] 53it [09:14, 10.45s/it] 54it [09:24, 10.42s/it] 55it [09:35, 10.44s/it] 56it [09:45, 10.46s/it] 57it [09:55, 10.45s/it] 58it [10:06, 10.47s/it] 59it [10:16, 10.47s/it] 60it [10:27, 10.46s/it] 61it [10:37, 10.46s/it] 62it [10:48, 10.46s/it] 63it [10:58, 10.46s/it] 64it [11:09, 10.46s/it] 65it [11:19, 10.44s/it] 66it [11:30, 10.44s/it] 67it [11:40, 10.44s/it] 68it [11:50, 10.44s/it] 69it [12:01, 10.43s/it] 70it [12:11, 10.45s/it] 71it [12:22, 10.45s/it] 72it [12:32, 10.50s/it] 73it [12:43, 10.51s/it] 74it [12:54, 10.54s/it] 75it [13:04, 10.54s/it] 76it [13:15, 10.55s/it] 77it [13:25, 10.52s/it] 78it [13:36, 10.54s/it] 79it [13:46, 10.52s/it] 80it [13:57, 10.52s/it] 81it [14:07, 10.49s/it] 82it [14:18, 10.52s/it] 83it [14:28, 10.52s/it] 84it [14:39, 10.49s/it] 85it [14:49, 10.48s/it] 86it [15:00, 10.51s/it] 87it [15:10, 10.50s/it] 88it [15:21, 10.51s/it] 89it [15:31, 10.47s/it] 90it [15:42, 10.48s/it] 91it [15:52, 10.46s/it] 92it [16:02, 10.46s/it] 93it [16:13, 10.46s/it] 94it [16:23, 10.47s/it] 95it [16:34, 10.51s/it] 96it [16:45, 10.52s/it] 97it [16:55, 10.53s/it] 98it [17:06, 10.53s/it] 99it [17:16, 10.49s/it] 100it [17:27, 10.49s/it] 101it [17:37, 10.49s/it] 102it [17:48, 10.52s/it] 103it [17:58, 10.50s/it] 104it [18:09, 10.51s/it] 105it [18:19, 10.52s/it] 106it [18:30, 10.51s/it] 107it [18:40, 10.50s/it] 108it [18:51, 10.48s/it] 109it [19:01, 10.46s/it] 110it [19:11, 10.47s/it] 111it [19:22, 10.46s/it] 112it [19:32, 10.44s/it] 113it [19:43, 10.47s/it] 114it [19:53, 10.48s/it] 115it [20:04, 10.48s/it] 116it [20:14, 10.50s/it] 117it [20:25, 10.51s/it] 118it [20:35, 10.49s/it] 119it [20:46, 10.50s/it] 120it [20:56, 10.50s/it] 121it [21:07, 10.51s/it] 122it [21:17, 10.50s/it] 123it [21:28, 10.49s/it] 124it [21:38, 10.49s/it] 125it [21:49, 10.47s/it] 126it [21:59, 10.46s/it] 127it [22:10, 10.48s/it] 128it [22:20, 10.48s/it] 129it [22:31, 10.49s/it] 130it [22:41, 10.50s/it] 131it [22:52, 10.50s/it] 132it [23:02, 10.51s/it] 133it [23:13, 10.53s/it] 134it [23:23, 10.50s/it] 135it [23:34, 10.51s/it] 136it [23:44, 10.49s/it] 137it [23:55, 10.49s/it] 138it [24:05, 10.52s/it] 139it [24:16, 10.50s/it] 140it [24:26, 10.52s/it] 141it [24:37, 10.51s/it] 142it [24:47, 10.49s/it] 143it [24:58, 10.51s/it] 144it [25:08, 10.51s/it] 145it [25:19, 10.48s/it] 146it [25:29, 10.46s/it] 147it [25:40, 10.43s/it] 148it [25:50, 10.41s/it] 149it [26:00, 10.43s/it] 150it [26:11, 10.45s/it] 151it [26:21, 10.47s/it] 152it [26:32, 10.51s/it] 153it [26:43, 10.58s/it] 154it [26:53, 10.57s/it] 155it [27:04, 10.60s/it] 156it [27:15, 10.62s/it] 157it [27:25, 10.62s/it] 158it [27:36, 10.59s/it] 159it [27:46, 10.55s/it] 160it [27:57, 10.55s/it] 161it [28:07, 10.52s/it] 162it [28:18, 10.50s/it] 163it [28:28, 10.58s/it] 164it [28:39, 10.62s/it] 165it [28:50, 10.59s/it] 166it [29:00, 10.58s/it] 167it [29:11, 10.57s/it] 168it [29:21, 10.58s/it] 169it [29:32, 10.60s/it] 170it [29:43, 10.57s/it] 171it [29:53, 10.54s/it] 172it [30:03, 10.50s/it] 173it [30:14, 10.49s/it] 174it [30:24, 10.49s/it] 175it [30:35, 10.51s/it] 176it [30:45, 10.48s/it] 177it [30:56, 10.46s/it] 178it [31:06, 10.43s/it] 179it [31:16, 10.41s/it] 180it [31:27, 10.44s/it] 181it [31:37, 10.45s/it] 182it [31:48, 10.45s/it] 183it [31:58, 10.44s/it] 184it [32:09, 10.39s/it] 185it [32:19, 10.41s/it] 186it [32:30, 10.44s/it] 187it [32:40, 10.42s/it] 188it [32:50, 10.43s/it] 189it [33:01, 10.44s/it] 190it [33:11, 10.45s/it] 191it [33:22, 10.46s/it] 192it [33:32, 10.46s/it] 193it [33:43, 10.45s/it] 194it [33:53, 10.47s/it] 195it [34:04, 10.46s/it] 196it [34:14, 10.46s/it] 197it [34:24, 10.43s/it] 198it [34:35, 10.46s/it] 199it [34:45, 10.47s/it] 200it [34:56, 10.50s/it] 201it [35:07, 10.50s/it] 202it [35:17, 10.52s/it] 203it [35:28, 10.53s/it] 204it [35:38, 10.52s/it] 205it [35:49, 10.54s/it] 206it [35:59, 10.54s/it] 207it [36:10, 10.57s/it] 208it [36:21, 10.58s/it] 209it [36:31, 10.57s/it] 210it [36:42, 10.59s/it] 211it [36:52, 10.58s/it] 212it [37:03, 10.58s/it] 213it [37:14, 10.62s/it] 214it [37:24, 10.63s/it] 215it [37:35, 10.65s/it] 216it [37:45, 10.62s/it] 217it [37:56, 10.63s/it] 218it [38:07, 10.62s/it] 219it [38:17, 10.59s/it] 220it [38:28, 10.60s/it] 221it [38:39, 10.63s/it] 222it [38:49, 10.64s/it] 223it [39:00, 10.64s/it] 224it [39:11, 10.64s/it] 225it [39:21, 10.66s/it] 226it [39:32, 10.68s/it] 227it [39:43, 10.69s/it] 228it [39:53, 10.71s/it] 229it [40:04, 10.71s/it] 230it [40:15, 10.74s/it] 231it [40:25, 10.68s/it] 232it [40:36, 10.68s/it] 233it [40:47, 10.68s/it] 234it [40:58, 10.70s/it] 235it [41:08, 10.70s/it] 236it [41:19, 10.72s/it] 237it [41:30, 10.71s/it] 238it [41:40, 10.69s/it] 239it [41:51, 10.73s/it] 240it [42:02, 10.73s/it] 241it [42:13, 10.72s/it] 242it [42:23, 10.73s/it] 243it [42:34, 10.70s/it] 244it [42:45, 10.70s/it] 245it [42:55, 10.72s/it] 246it [43:06, 10.73s/it] 247it [43:17, 10.74s/it] 248it [43:28, 10.75s/it] 249it [43:38, 10.73s/it] 250it [43:49, 10.71s/it] 251it [44:00, 10.72s/it] 252it [44:11, 10.74s/it] 253it [44:21, 10.73s/it] 254it [44:32, 10.71s/it] 255it [44:43, 10.69s/it] 256it [44:53, 10.68s/it] 257it [45:04, 10.69s/it] 258it [45:15, 10.68s/it] 259it [45:25, 10.69s/it] 260it [45:36, 10.68s/it] 261it [45:47, 10.66s/it] 262it [45:57, 10.66s/it] 263it [46:08, 10.66s/it] 264it [46:19, 10.67s/it] 265it [46:29, 10.69s/it] 266it [46:40, 10.68s/it] 267it [46:51, 10.66s/it] 268it [47:01, 10.67s/it] 269it [47:12, 10.67s/it] 270it [47:23, 10.65s/it] 271it [47:33, 10.65s/it] 272it [47:44, 10.66s/it] 273it [47:55, 10.67s/it] 274it [48:05, 10.68s/it] 275it [48:16, 10.71s/it] 276it [48:27, 10.74s/it] 277it [48:38, 10.72s/it] 278it [48:48, 10.70s/it] 279it [48:59, 10.71s/it] 280it [49:10, 10.72s/it] 281it [49:20, 10.70s/it] 282it [49:31, 10.73s/it] 283it [49:42, 10.73s/it] 284it [49:53, 10.74s/it] 285it [50:03, 10.74s/it] 286it [50:14, 10.75s/it] 287it [50:25, 10.71s/it] 288it [50:36, 10.72s/it] 289it [50:46, 10.74s/it] 290it [50:57, 10.75s/it] 291it [51:08, 10.71s/it] 292it [51:18, 10.66s/it] 293it [51:29, 10.69s/it] 294it [51:40, 10.73s/it] 295it [51:51, 10.77s/it] 296it [52:02, 10.80s/it] 297it [52:12, 10.78s/it] 298it [52:23, 10.77s/it] 299it [52:34, 10.80s/it] 300it [52:45, 10.79s/it] 301it [52:55, 10.77s/it] 302it [53:06, 10.75s/it] 303it [53:17, 10.76s/it] 304it [53:28, 10.75s/it] 305it [53:38, 10.76s/it] 306it [53:49, 10.80s/it] 307it [54:00, 10.77s/it] 308it [54:11, 10.78s/it] 309it [54:22, 10.77s/it] 310it [54:32, 10.78s/it] 311it [54:43, 10.78s/it] 312it [54:54, 10.76s/it] 313it [55:05, 10.80s/it] 314it [55:15, 10.77s/it] 315it [55:26, 10.78s/it] 316it [55:37, 10.74s/it] 317it [55:48, 10.72s/it] 318it [55:58, 10.72s/it] 319it [56:09, 10.68s/it] 320it [56:20, 10.71s/it] 321it [56:30, 10.73s/it] 322it [56:41, 10.72s/it] 323it [56:52, 10.72s/it] 324it 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[2:23:30, 10.55s/it] 807it [2:23:40, 10.59s/it] 808it [2:23:51, 10.58s/it] 809it [2:24:01, 10.59s/it] 810it [2:24:12, 10.59s/it] 811it [2:24:23, 10.59s/it] 812it [2:24:33, 10.60s/it] 813it [2:24:44, 10.58s/it] 814it [2:24:54, 10.57s/it] 815it [2:25:05, 10.55s/it] 816it [2:25:15, 10.55s/it] 817it [2:25:26, 10.56s/it] 818it [2:25:37, 10.56s/it] 819it [2:25:47, 10.57s/it] 820it [2:25:58, 10.60s/it] 821it [2:26:08, 10.60s/it] 822it [2:26:19, 10.61s/it] 823it [2:26:30, 10.60s/it] 824it [2:26:40, 10.61s/it] 825it [2:26:51, 10.59s/it] 826it [2:27:01, 10.56s/it] 827it [2:27:12, 10.58s/it] 828it [2:27:22, 10.58s/it] 829it [2:27:33, 10.58s/it] 830it [2:27:44, 10.58s/it] 831it [2:27:54, 10.56s/it] 832it [2:28:05, 10.58s/it] 833it [2:28:15, 10.60s/it] 834it [2:28:26, 10.60s/it] 835it [2:28:37, 10.58s/it] 836it [2:28:47, 10.55s/it] 837it [2:28:58, 10.55s/it] 838it [2:29:08, 10.53s/it] 839it [2:29:19, 10.55s/it] 840it [2:29:29, 10.56s/it] 841it [2:29:40, 10.53s/it] 842it [2:29:50, 10.54s/it] 843it [2:30:01, 10.55s/it] 844it [2:30:11, 10.57s/it] 845it [2:30:22, 10.57s/it] 846it [2:30:33, 10.56s/it] 847it [2:30:43, 10.58s/it] 848it [2:30:54, 10.57s/it] 849it [2:31:04, 10.59s/it] 850it [2:31:15, 10.60s/it] 851it [2:31:26, 10.59s/it] 852it [2:31:36, 10.61s/it] 853it [2:31:47, 10.57s/it] 854it [2:31:57, 10.57s/it] 855it [2:32:08, 10.55s/it] 856it [2:32:18, 10.56s/it] 857it [2:32:29, 10.55s/it] 858it [2:32:39, 10.54s/it] 859it [2:32:50, 10.54s/it] 860it [2:33:00, 10.54s/it] 861it [2:33:11, 10.54s/it] 862it [2:33:22, 10.54s/it] 863it [2:33:32, 10.54s/it] 864it [2:33:43, 10.58s/it] 865it [2:33:53, 10.56s/it] 866it [2:34:04, 10.59s/it] 867it [2:34:14, 10.57s/it] 868it [2:34:25, 10.53s/it] 869it [2:34:35, 10.52s/it] 870it [2:34:46, 10.54s/it] 871it [2:34:56, 10.54s/it] 872it [2:35:07, 10.54s/it] 873it [2:35:18, 10.54s/it] 874it [2:35:28, 10.52s/it] 875it [2:35:39, 10.53s/it] 876it [2:35:49, 10.54s/it] 877it [2:36:00, 10.54s/it] 878it [2:36:10, 10.55s/it] 879it [2:36:21, 10.58s/it] 880it [2:36:31, 10.57s/it] 881it [2:36:42, 10.55s/it] 882it [2:36:52, 10.52s/it] 883it [2:37:03, 10.53s/it] 884it [2:37:14, 10.57s/it] 885it [2:37:24, 10.55s/it] 886it [2:37:35, 10.54s/it] 887it [2:37:45, 10.55s/it] 888it [2:37:56, 10.54s/it] 889it [2:38:06, 10.53s/it] 890it [2:38:17, 10.53s/it] 891it [2:38:27, 10.56s/it] 892it [2:38:38, 10.53s/it] 893it [2:38:48, 10.52s/it] 894it [2:38:59, 10.49s/it] 895it [2:39:09, 10.48s/it] 896it [2:39:20, 10.48s/it] 897it [2:39:30, 10.48s/it] 898it [2:39:41, 10.49s/it] 899it [2:39:51, 10.47s/it] 900it [2:40:01, 10.44s/it] 901it [2:40:12, 10.44s/it] 902it [2:40:22, 10.43s/it] 903it [2:40:33, 10.41s/it] 904it [2:40:43, 10.41s/it] 905it [2:40:54, 10.43s/it] 906it [2:41:04, 10.46s/it] 907it [2:41:15, 10.45s/it] 908it [2:41:25, 10.42s/it] 909it [2:41:35, 10.42s/it] 910it [2:41:46, 10.42s/it] 911it [2:41:56, 10.41s/it] 912it [2:42:07, 10.42s/it] 913it [2:42:17, 10.43s/it] 914it [2:42:27, 10.44s/it] 915it [2:42:38, 10.45s/it] 916it [2:42:48, 10.47s/it] 917it [2:42:59, 10.44s/it] 918it [2:43:09, 10.46s/it] 919it [2:43:20, 10.45s/it] 920it [2:43:30, 10.45s/it] 921it [2:43:41, 10.48s/it] 922it [2:43:51, 10.48s/it] 923it [2:44:02, 10.49s/it] 924it [2:44:12, 10.50s/it] 925it [2:44:23, 10.49s/it] 926it [2:44:33, 10.49s/it] 927it [2:44:44, 10.48s/it] 928it [2:44:54, 10.52s/it] 929it [2:45:05, 10.54s/it] 930it [2:45:15, 10.54s/it] 931it [2:45:26, 10.55s/it] 932it [2:45:37, 10.55s/it] 933it [2:45:47, 10.56s/it] 934it [2:45:58, 10.56s/it] 935it [2:46:08, 10.56s/it] 936it [2:46:19, 10.53s/it] 937it [2:46:29, 10.52s/it] 938it [2:46:40, 10.54s/it] 939it [2:46:50, 10.52s/it] 940it [2:47:01, 10.53s/it] 941it [2:47:11, 10.54s/it] 942it [2:47:22, 10.53s/it] 943it [2:47:32, 10.54s/it] 944it [2:47:43, 10.52s/it] 945it [2:47:53, 10.51s/it] 946it [2:48:04, 10.53s/it] 947it [2:48:15, 10.54s/it] 948it [2:48:25, 10.52s/it] 949it [2:48:36, 10.53s/it] 950it [2:48:46, 10.54s/it] 951it [2:48:57, 10.52s/it] 952it [2:49:07, 10.51s/it] 953it [2:49:18, 10.51s/it] 954it [2:49:28, 10.53s/it] 955it [2:49:39, 10.54s/it] 956it [2:49:49, 10.55s/it] 957it [2:50:00, 10.55s/it] 958it [2:50:10, 10.57s/it] 959it [2:50:21, 10.55s/it] 960it [2:50:31, 10.54s/it] 961it [2:50:42, 10.53s/it] 962it [2:50:52, 10.52s/it] 963it [2:51:03, 10.52s/it] 964it [2:51:14, 10.53s/it] 965it [2:51:24, 10.52s/it] 966it [2:51:35, 10.53s/it] 967it [2:51:45, 10.52s/it] 968it [2:51:56, 10.54s/it] 969it [2:52:06, 10.51s/it] 970it [2:52:17, 10.52s/it] 971it [2:52:27, 10.53s/it] 972it [2:52:38, 10.54s/it] 973it [2:52:48, 10.55s/it] 974it [2:52:59, 10.54s/it] 975it [2:53:10, 10.57s/it] 976it [2:53:20, 10.60s/it] 977it [2:53:31, 10.60s/it] 978it [2:53:42, 10.63s/it] 979it [2:53:52, 10.61s/it] 980it [2:54:03, 10.57s/it] 981it [2:54:13, 10.58s/it] 982it [2:54:24, 10.59s/it] 983it [2:54:34, 10.60s/it] 984it [2:54:45, 10.64s/it] 985it [2:54:56, 10.61s/it] 986it [2:55:06, 10.57s/it] 987it [2:55:17, 10.59s/it] 988it [2:55:27, 10.60s/it] 989it [2:55:38, 10.57s/it] 990it [2:55:48, 10.57s/it] 991it [2:55:59, 10.59s/it] 992it [2:56:10, 10.58s/it] 993it [2:56:20, 10.61s/it] 994it [2:56:31, 10.60s/it] 995it [2:56:41, 10.58s/it] 996it [2:56:52, 10.56s/it] 997it [2:57:03, 10.56s/it] 998it [2:57:13, 10.57s/it] 999it [2:57:24, 10.57s/it] 1000it [2:57:34, 10.58s/it] 1000it [2:57:34, 10.65s/it] Error counts: linear_id: 0 linear_inchikey: 0 linear_scaffold: 0 linear_mwt: 0 linear_clogp: 0 linear_tpsa: 0 ⏰ Completed process in 3:13:56.153300 0it [00:00, ?it/s] 1it [00:09, 9.00s/it] 2it [00:17, 8.89s/it] 3it [00:26, 8.88s/it] 4it [00:35, 8.87s/it] 5it [00:44, 8.85s/it] 6it [00:53, 8.86s/it] 7it [01:01, 8.83s/it] 8it [01:10, 8.81s/it] 9it [01:19, 8.83s/it] 10it [01:28, 8.86s/it] 11it [01:37, 8.86s/it] 12it [01:46, 8.88s/it] 13it [01:55, 8.87s/it] 14it [02:04, 8.89s/it] 15it [02:12, 8.88s/it] 16it [02:21, 8.89s/it] 17it [02:30, 8.87s/it] 18it [02:39, 8.87s/it] 19it [02:48, 8.83s/it] 20it [02:57, 8.80s/it] 21it [03:05, 8.78s/it] 22it [03:14, 8.74s/it] 23it [03:23, 8.73s/it] 24it [03:31, 8.72s/it] 25it [03:40, 8.74s/it] 26it [03:49, 8.73s/it] 27it [03:58, 8.72s/it] 28it [04:06, 8.70s/it] 29it [04:15, 8.68s/it] 30it [04:24, 8.68s/it] 31it [04:32, 8.70s/it] 32it [04:41, 8.70s/it] 33it [04:50, 8.73s/it] 34it [04:59, 8.74s/it] 35it [05:07, 8.74s/it] 36it [05:16, 8.75s/it] 37it [05:25, 8.76s/it] 38it [05:34, 8.79s/it] 39it [05:42, 8.76s/it] 40it [05:51, 8.76s/it] 41it [06:00, 8.78s/it] 42it [06:09, 8.85s/it] 43it [06:18, 8.83s/it] 44it [06:27, 8.82s/it] 45it [06:35, 8.82s/it] 46it [06:44, 8.83s/it] 47it [06:53, 8.83s/it] 48it [07:02, 8.81s/it] 49it [07:11, 8.78s/it] 50it [07:19, 8.77s/it] 51it [07:28, 8.74s/it] 52it [07:37, 8.73s/it] 53it [07:45, 8.72s/it] 54it [07:54, 8.71s/it] 55it [08:03, 8.72s/it] 56it [08:12, 8.72s/it] 57it [08:20, 8.67s/it] 58it [08:29, 8.67s/it] 59it [08:37, 8.68s/it] 60it [08:46, 8.68s/it] 61it [08:55, 8.70s/it] 62it [09:04, 8.70s/it] 63it [09:12, 8.68s/it] 64it [09:21, 8.71s/it] 65it [09:30, 8.71s/it] 66it [09:38, 8.69s/it] 67it [09:47, 8.67s/it] 68it [09:56, 8.65s/it] 69it [10:04, 8.66s/it] 70it [10:13, 8.64s/it] 71it [10:22, 8.65s/it] 72it [10:30, 8.68s/it] 73it [10:39, 8.69s/it] 74it [10:48, 8.68s/it] 75it [10:56, 8.66s/it] 76it [11:05, 8.65s/it] 77it [11:13, 8.63s/it] 78it [11:22, 8.64s/it] 79it [11:31, 8.65s/it] 80it [11:40, 8.67s/it] 81it [11:48, 8.68s/it] 82it [11:57, 8.67s/it] 83it [12:06, 8.67s/it] 84it [12:14, 8.66s/it] 85it [12:23, 8.66s/it] 86it [12:31, 8.66s/it] 87it [12:40, 8.67s/it] 88it [12:49, 8.67s/it] 89it [12:58, 8.68s/it] 90it [13:06, 8.71s/it] 91it [13:15, 8.71s/it] 92it [13:24, 8.70s/it] 93it [13:33, 8.78s/it] 94it [13:42, 8.80s/it] 95it [13:50, 8.80s/it] 96it [13:59, 8.82s/it] 97it [14:08, 8.78s/it] 98it [14:17, 8.83s/it] 99it [14:26, 8.81s/it] 100it [14:34, 8.80s/it] 101it [14:43, 8.79s/it] 102it [14:52, 8.79s/it] 103it [15:01, 8.77s/it] 104it [15:09, 8.77s/it] 105it [15:18, 8.81s/it] 106it [15:27, 8.83s/it] 107it [15:36, 8.86s/it] 108it [15:45, 8.82s/it] 109it [15:54, 8.77s/it] 110it [16:02, 8.73s/it] 111it [16:11, 8.72s/it] 112it [16:20, 8.70s/it] 113it [16:28, 8.72s/it] 114it [16:37, 8.68s/it] 115it [16:46, 8.68s/it] 116it [16:54, 8.66s/it] 117it [17:03, 8.66s/it] 118it [17:11, 8.65s/it] 119it [17:20, 8.68s/it] 120it [17:29, 8.65s/it] 121it [17:37, 8.66s/it] 122it [17:46, 8.66s/it] 123it [17:55, 8.65s/it] 124it [18:03, 8.63s/it] 125it [18:12, 8.65s/it] 126it [18:21, 8.68s/it] 127it [18:29, 8.68s/it] 128it [18:38, 8.70s/it] 129it [18:47, 8.72s/it] 130it [18:56, 8.71s/it] 131it [19:04, 8.68s/it] 132it [19:13, 8.68s/it] 133it [19:22, 8.66s/it] 134it [19:30, 8.65s/it] 135it [19:39, 8.67s/it] 136it [19:48, 8.65s/it] 137it [19:56, 8.65s/it] 138it [20:05, 8.64s/it] 139it [20:13, 8.65s/it] 140it [20:22, 8.64s/it] 141it [20:31, 8.67s/it] 142it [20:40, 8.68s/it] 143it [20:48, 8.65s/it] 144it [20:57, 8.65s/it] 145it [21:05, 8.66s/it] 146it [21:14, 8.65s/it] 147it [21:23, 8.65s/it] 148it [21:31, 8.66s/it] 149it [21:40, 8.65s/it] 150it [21:49, 8.64s/it] 151it [21:57, 8.65s/it] 152it [22:06, 8.68s/it] 153it [22:15, 8.69s/it] 154it [22:23, 8.68s/it] 155it [22:32, 8.70s/it] 156it [22:41, 8.73s/it] 157it [22:50, 8.74s/it] 158it [22:59, 8.76s/it] 159it [23:07, 8.75s/it] 160it [23:16, 8.74s/it] 161it [23:25, 8.72s/it] 162it [23:33, 8.71s/it] 163it [23:42, 8.73s/it] 164it [23:51, 8.77s/it] 165it [24:00, 8.78s/it] 166it [24:08, 8.76s/it] 167it [24:17, 8.74s/it] 168it [24:26, 8.72s/it] 169it [24:34, 8.68s/it] 170it [24:43, 8.72s/it] 171it [24:52, 8.73s/it] 172it [25:01, 8.71s/it] 173it [25:09, 8.71s/it] 174it [25:18, 8.72s/it] 175it [25:27, 8.71s/it] 176it [25:35, 8.69s/it] 177it [25:44, 8.69s/it] 178it [25:53, 8.68s/it] 179it [26:01, 8.67s/it] 180it [26:10, 8.69s/it] 181it [26:19, 8.71s/it] 182it [26:28, 8.68s/it] 183it [26:36, 8.64s/it] 184it [26:45, 8.63s/it] 185it [26:53, 8.63s/it] 186it [27:02, 8.64s/it] 187it [27:11, 8.60s/it] 188it [27:19, 8.62s/it] 189it [27:28, 8.64s/it] 190it [27:37, 8.67s/it] 191it [27:45, 8.69s/it] 192it [27:54, 8.68s/it] 193it [28:03, 8.69s/it] 194it [28:11, 8.70s/it] 195it [28:20, 8.68s/it] 196it [28:29, 8.69s/it] 197it [28:37, 8.67s/it] 198it [28:46, 8.67s/it] 199it [28:55, 8.66s/it] 200it [29:03, 8.66s/it] 201it [29:12, 8.65s/it] 202it [29:21, 8.66s/it] 203it [29:29, 8.65s/it] 204it [29:38, 8.64s/it] 205it [29:47, 8.64s/it] 206it [29:55, 8.62s/it] 207it [30:04, 8.65s/it] 208it [30:13, 8.68s/it] 209it [30:21, 8.65s/it] 210it [30:30, 8.65s/it] 211it [30:38, 8.66s/it] 212it [30:47, 8.67s/it] 213it [30:56, 8.65s/it] 214it [31:04, 8.65s/it] 215it [31:13, 8.63s/it] 216it [31:22, 8.62s/it] 217it [31:30, 8.62s/it] 218it [31:39, 8.62s/it] 219it [31:47, 8.58s/it] 220it [31:56, 8.59s/it] 221it [32:05, 8.59s/it] 222it [32:13, 8.60s/it] 223it [32:22, 8.59s/it] 224it [32:30, 8.63s/it] 225it [32:39, 8.60s/it] 226it [32:48, 8.61s/it] 227it [32:56, 8.60s/it] 228it [33:05, 8.62s/it] 229it [33:13, 8.60s/it] 230it [33:22, 8.65s/it] 231it [33:31, 8.66s/it] 232it [33:39, 8.65s/it] 233it [33:48, 8.65s/it] 234it [33:57, 8.64s/it] 235it [34:05, 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[1:35:28, 8.43s/it] 672it [1:35:36, 8.43s/it] 673it [1:35:45, 8.43s/it] 674it [1:35:53, 8.44s/it] 675it [1:36:01, 8.44s/it] 676it [1:36:10, 8.41s/it] 677it [1:36:18, 8.42s/it] 678it [1:36:27, 8.40s/it] 679it [1:36:35, 8.38s/it] 680it [1:36:43, 8.38s/it] 681it [1:36:52, 8.38s/it] 682it [1:37:00, 8.37s/it] 683it [1:37:08, 8.36s/it] 684it [1:37:17, 8.38s/it] 685it [1:37:25, 8.39s/it] 686it [1:37:34, 8.39s/it] 687it [1:37:42, 8.38s/it] 688it [1:37:50, 8.39s/it] 689it [1:37:59, 8.38s/it] 690it [1:38:07, 8.38s/it] 691it [1:38:16, 8.38s/it] 692it [1:38:24, 8.35s/it] 693it [1:38:32, 8.37s/it] 694it [1:38:41, 8.36s/it] 695it [1:38:49, 8.36s/it] 696it [1:38:57, 8.37s/it] 697it [1:39:06, 8.37s/it] 698it [1:39:14, 8.36s/it] 699it [1:39:22, 8.37s/it] 700it [1:39:31, 8.38s/it] 701it [1:39:39, 8.40s/it] 702it [1:39:48, 8.40s/it] 703it [1:39:56, 8.39s/it] 704it [1:40:04, 8.39s/it] 705it [1:40:13, 8.39s/it] 706it [1:40:21, 8.41s/it] 707it [1:40:30, 8.41s/it] 708it [1:40:38, 8.41s/it] 709it [1:40:47, 8.42s/it] 710it [1:40:55, 8.40s/it] 711it [1:41:03, 8.39s/it] 712it [1:41:12, 8.39s/it] 713it [1:41:20, 8.39s/it] 714it [1:41:28, 8.40s/it] 715it [1:41:37, 8.40s/it] 716it [1:41:45, 8.39s/it] 717it [1:41:54, 8.40s/it] 718it [1:42:02, 8.40s/it] 719it [1:42:11, 8.42s/it] 720it [1:42:19, 8.39s/it] 721it [1:42:27, 8.40s/it] 722it [1:42:36, 8.38s/it] 723it [1:42:44, 8.37s/it] 724it [1:42:52, 8.37s/it] 725it [1:43:01, 8.37s/it] 726it [1:43:09, 8.40s/it] 727it [1:43:17, 8.39s/it] 728it [1:43:26, 8.39s/it] 729it [1:43:34, 8.40s/it] 730it [1:43:43, 8.41s/it] 731it [1:43:51, 8.40s/it] 732it [1:43:59, 8.37s/it] 733it [1:44:08, 8.39s/it] 734it [1:44:16, 8.37s/it] 735it [1:44:25, 8.39s/it] 736it [1:44:33, 8.38s/it] 737it [1:44:41, 8.39s/it] 738it [1:44:50, 8.39s/it] 739it [1:44:58, 8.38s/it] 740it [1:45:06, 8.37s/it] 741it [1:45:15, 8.36s/it] 742it [1:45:23, 8.37s/it] 743it [1:45:32, 8.36s/it] 744it [1:45:40, 8.37s/it] 745it [1:45:48, 8.38s/it] 746it [1:45:57, 8.36s/it] 747it [1:46:05, 8.34s/it] 748it [1:46:13, 8.36s/it] 749it [1:46:22, 8.35s/it] 750it [1:46:30, 8.37s/it] 751it [1:46:39, 8.39s/it] 752it [1:46:47, 8.42s/it] 753it [1:46:55, 8.41s/it] 754it [1:47:04, 8.42s/it] 755it [1:47:12, 8.41s/it] 756it [1:47:21, 8.41s/it] 757it [1:47:29, 8.39s/it] 758it [1:47:37, 8.40s/it] 759it [1:47:46, 8.39s/it] 760it [1:47:54, 8.38s/it] 761it [1:48:03, 8.40s/it] 762it [1:48:11, 8.40s/it] 763it [1:48:19, 8.38s/it] 764it [1:48:28, 8.38s/it] 765it [1:48:36, 8.38s/it] 766it [1:48:44, 8.39s/it] 767it [1:48:53, 8.40s/it] 768it [1:49:01, 8.41s/it] 769it [1:49:10, 8.43s/it] 770it [1:49:18, 8.45s/it] 771it [1:49:27, 8.48s/it] 772it [1:49:35, 8.49s/it] 773it [1:49:44, 8.50s/it] 774it [1:49:52, 8.48s/it] 775it [1:50:01, 8.47s/it] 776it [1:50:09, 8.48s/it] 777it [1:50:18, 8.48s/it] 778it [1:50:26, 8.47s/it] 779it [1:50:35, 8.47s/it] 780it [1:50:43, 8.50s/it] 781it [1:50:52, 8.48s/it] 782it [1:51:00, 8.45s/it] 783it [1:51:08, 8.43s/it] 784it [1:51:17, 8.42s/it] 785it [1:51:25, 8.42s/it] 786it [1:51:34, 8.43s/it] 787it [1:51:42, 8.43s/it] 788it [1:51:51, 8.43s/it] 789it [1:51:59, 8.41s/it] 790it [1:52:07, 8.40s/it] 791it [1:52:16, 8.39s/it] 792it [1:52:24, 8.37s/it] 793it [1:52:32, 8.38s/it] 794it [1:52:41, 8.40s/it] 795it [1:52:49, 8.40s/it] 796it [1:52:58, 8.40s/it] 797it [1:53:06, 8.38s/it] 798it [1:53:14, 8.39s/it] 799it [1:53:23, 8.40s/it] 800it [1:53:31, 8.40s/it] 801it [1:53:40, 8.43s/it] 802it [1:53:48, 8.42s/it] 803it [1:53:57, 8.42s/it] 804it [1:54:05, 8.39s/it] 805it [1:54:13, 8.40s/it] 806it [1:54:22, 8.37s/it] 807it [1:54:30, 8.38s/it] 808it [1:54:38, 8.41s/it] 809it [1:54:47, 8.43s/it] 810it [1:54:55, 8.42s/it] 811it [1:55:04, 8.44s/it] 812it [1:55:12, 8.45s/it] 813it [1:55:21, 8.45s/it] 814it [1:55:29, 8.44s/it] 815it [1:55:38, 8.44s/it] 816it [1:55:46, 8.44s/it] 817it [1:55:54, 8.43s/it] 818it [1:56:03, 8.44s/it] 819it [1:56:11, 8.45s/it] 820it [1:56:20, 8.43s/it] 821it [1:56:28, 8.44s/it] 822it [1:56:37, 8.45s/it] 823it [1:56:45, 8.43s/it] 824it [1:56:54, 8.43s/it] 825it [1:57:02, 8.42s/it] 826it [1:57:10, 8.42s/it] 827it [1:57:19, 8.42s/it] 828it [1:57:27, 8.45s/it] 829it [1:57:36, 8.45s/it] 830it [1:57:44, 8.46s/it] 831it [1:57:53, 8.45s/it] 832it [1:58:01, 8.44s/it] 833it [1:58:09, 8.43s/it] 834it [1:58:18, 8.42s/it] 835it [1:58:26, 8.42s/it] 836it [1:58:35, 8.42s/it] 837it [1:58:43, 8.42s/it] 838it [1:58:52, 8.41s/it] 839it [1:59:00, 8.43s/it] 840it [1:59:08, 8.45s/it] 841it [1:59:17, 8.42s/it] 842it [1:59:25, 8.41s/it] 843it [1:59:34, 8.42s/it] 844it [1:59:42, 8.44s/it] 845it [1:59:51, 8.42s/it] 846it [1:59:59, 8.41s/it] 847it [2:00:07, 8.41s/it] 848it [2:00:16, 8.40s/it] 849it [2:00:24, 8.43s/it] 850it [2:00:33, 8.42s/it] 851it [2:00:41, 8.42s/it] 852it [2:00:50, 8.48s/it] 853it [2:00:58, 8.49s/it] 854it [2:01:07, 8.45s/it] 855it [2:01:15, 8.43s/it] 856it [2:01:23, 8.43s/it] 857it [2:01:32, 8.43s/it] 858it [2:01:40, 8.41s/it] 859it [2:01:49, 8.41s/it] 860it [2:01:57, 8.40s/it] 861it [2:02:05, 8.38s/it] 862it [2:02:14, 8.38s/it] 863it [2:02:22, 8.37s/it] 864it [2:02:31, 8.43s/it] 865it [2:02:39, 8.43s/it] 866it [2:02:47, 8.43s/it] 867it [2:02:56, 8.43s/it] 868it [2:03:04, 8.41s/it] 869it [2:03:13, 8.40s/it] 870it [2:03:21, 8.43s/it] 871it [2:03:29, 8.41s/it] 872it [2:03:38, 8.41s/it] 873it [2:03:46, 8.42s/it] 874it [2:03:55, 8.40s/it] 875it [2:04:03, 8.42s/it] 876it [2:04:12, 8.42s/it] 877it [2:04:20, 8.42s/it] 878it [2:04:28, 8.42s/it] 879it [2:04:37, 8.42s/it] 880it [2:04:45, 8.43s/it] 881it [2:04:54, 8.43s/it] 882it [2:05:02, 8.44s/it] 883it [2:05:11, 8.45s/it] 884it [2:05:19, 8.47s/it] 885it [2:05:28, 8.44s/it] 886it [2:05:36, 8.40s/it] 887it [2:05:44, 8.42s/it] 888it [2:05:53, 8.39s/it] 889it [2:06:01, 8.38s/it] 890it [2:06:09, 8.38s/it] 891it [2:06:18, 8.38s/it] 892it [2:06:26, 8.36s/it] 893it [2:06:34, 8.37s/it] 894it [2:06:43, 8.36s/it] 895it [2:06:51, 8.37s/it] 896it [2:07:00, 8.37s/it] 897it [2:07:08, 8.37s/it] 898it [2:07:16, 8.40s/it] 899it [2:07:25, 8.40s/it] 900it [2:07:33, 8.38s/it] 901it [2:07:42, 8.39s/it] 902it [2:07:50, 8.38s/it] 903it [2:07:58, 8.34s/it] 904it [2:08:07, 8.36s/it] 905it [2:08:15, 8.37s/it] 906it [2:08:23, 8.40s/it] 907it [2:08:32, 8.39s/it] 908it [2:08:40, 8.37s/it] 909it [2:08:49, 8.39s/it] 910it [2:08:57, 8.39s/it] 911it [2:09:05, 8.39s/it] 912it [2:09:14, 8.40s/it] 913it [2:09:22, 8.40s/it] 914it [2:09:31, 8.42s/it] 915it [2:09:39, 8.44s/it] 916it [2:09:48, 8.44s/it] 917it [2:09:56, 8.43s/it] 918it [2:10:04, 8.44s/it] 919it [2:10:13, 8.43s/it] 920it [2:10:21, 8.43s/it] 921it [2:10:30, 8.44s/it] 922it [2:10:38, 8.47s/it] 923it [2:10:47, 8.44s/it] 924it [2:10:55, 8.45s/it] 925it [2:11:04, 8.45s/it] 926it [2:11:12, 8.47s/it] 927it [2:11:20, 8.45s/it] 928it [2:11:29, 8.47s/it] 929it [2:11:38, 8.50s/it] 930it [2:11:46, 8.51s/it] 931it [2:11:55, 8.51s/it] 932it [2:12:03, 8.49s/it] 933it [2:12:11, 8.49s/it] 934it [2:12:20, 8.52s/it] 935it [2:12:29, 8.52s/it] 936it [2:12:37, 8.52s/it] 937it [2:12:46, 8.50s/it] 938it [2:12:54, 8.49s/it] 939it [2:13:03, 8.49s/it] 940it [2:13:11, 8.49s/it] 941it [2:13:20, 8.49s/it] 942it [2:13:28, 8.51s/it] 943it [2:13:37, 8.50s/it] 944it [2:13:45, 8.47s/it] 945it [2:13:53, 8.47s/it] 946it [2:14:02, 8.45s/it] 947it [2:14:10, 8.47s/it] 948it [2:14:19, 8.46s/it] 949it [2:14:27, 8.47s/it] 950it [2:14:36, 8.46s/it] 951it [2:14:44, 8.45s/it] 952it [2:14:53, 8.46s/it] 953it [2:15:01, 8.45s/it] 954it [2:15:10, 8.47s/it] 955it [2:15:18, 8.48s/it] 956it [2:15:27, 8.50s/it] 957it [2:15:35, 8.49s/it] 958it [2:15:44, 8.52s/it] 959it [2:15:52, 8.50s/it] 960it [2:16:01, 8.49s/it] 961it [2:16:09, 8.48s/it] 962it [2:16:18, 8.48s/it] 963it [2:16:26, 8.48s/it] 964it [2:16:34, 8.48s/it] 965it [2:16:43, 8.48s/it] 966it [2:16:51, 8.45s/it] 967it [2:17:00, 8.46s/it] 968it [2:17:08, 8.47s/it] 969it [2:17:17, 8.48s/it] 970it [2:17:25, 8.49s/it] 971it [2:17:34, 8.51s/it] 972it [2:17:42, 8.53s/it] 973it [2:17:51, 8.51s/it] 974it [2:17:59, 8.52s/it] 975it [2:18:08, 8.54s/it] 976it [2:18:17, 8.55s/it] 977it [2:18:25, 8.55s/it] 978it [2:18:34, 8.58s/it] 979it [2:18:42, 8.58s/it] 980it [2:18:51, 8.56s/it] 981it [2:19:00, 8.59s/it] 982it [2:19:08, 8.58s/it] 983it [2:19:17, 8.60s/it] 984it [2:19:25, 8.60s/it] 985it [2:19:34, 8.60s/it] 986it [2:19:43, 8.58s/it] 987it [2:19:51, 8.57s/it] 988it [2:20:00, 8.60s/it] 989it [2:20:08, 8.62s/it] 990it [2:20:17, 8.59s/it] 991it [2:20:26, 8.59s/it] 992it [2:20:34, 8.58s/it] 993it [2:20:43, 8.59s/it] 994it [2:20:51, 8.60s/it] 995it [2:21:00, 8.58s/it] 996it [2:21:08, 8.59s/it] 997it [2:21:17, 8.59s/it] 998it [2:21:26, 8.61s/it] 999it [2:21:34, 8.63s/it] 1000it [2:21:43, 8.61s/it] 1000it [2:21:43, 8.50s/it] Error counts: cysteine_to_N_cyclization: 0 ⏰ Completed process in 5:35:40.580757 0it [00:00, ?it/s] 1it [00:10, 10.90s/it] 2it [00:21, 10.83s/it] 3it [00:32, 10.77s/it] 4it [00:43, 10.77s/it] 5it [00:53, 10.75s/it] 6it [01:04, 10.77s/it] 7it [01:15, 10.75s/it] 8it [01:26, 10.72s/it] 9it [01:36, 10.75s/it] 10it [01:47, 10.75s/it] 11it [01:58, 10.74s/it] 12it [02:09, 10.75s/it] 13it [02:19, 10.75s/it] 14it [02:30, 10.73s/it] 15it [02:41, 10.73s/it] 16it [02:52, 10.74s/it] 17it [03:02, 10.74s/it] 18it [03:13, 10.74s/it] 19it [03:24, 10.73s/it] 20it [03:34, 10.72s/it] 21it [03:45, 10.72s/it] 22it [03:56, 10.70s/it] 23it [04:06, 10.69s/it] 24it [04:17, 10.71s/it] 25it [04:28, 10.73s/it] 26it [04:39, 10.73s/it] 27it [04:49, 10.73s/it] 28it [05:00, 10.72s/it] 29it [05:11, 10.71s/it] 30it [05:22, 10.73s/it] 31it [05:32, 10.73s/it] 32it [05:43, 10.73s/it] 33it [05:54, 10.75s/it] 34it [06:05, 10.73s/it] 35it [06:15, 10.73s/it] 36it [06:26, 10.71s/it] 37it [06:37, 10.70s/it] 38it [06:47, 10.69s/it] 39it [06:58, 10.67s/it] 40it [07:09, 10.67s/it] 41it [07:19, 10.68s/it] 42it [07:30, 10.67s/it] 43it [07:41, 10.68s/it] 44it [07:51, 10.68s/it] 45it [08:02, 10.69s/it] 46it [08:13, 10.67s/it] 47it [08:23, 10.68s/it] 48it [08:34, 10.70s/it] 49it [08:45, 10.69s/it] 50it [08:55, 10.68s/it] 51it [09:06, 10.68s/it] 52it [09:17, 10.69s/it] 53it [09:28, 10.70s/it] 54it [09:38, 10.67s/it] 55it [09:49, 10.72s/it] 56it [10:00, 10.74s/it] 57it [10:10, 10.73s/it] 58it [10:21, 10.75s/it] 59it [10:32, 10.74s/it] 60it [10:43, 10.71s/it] 61it [10:53, 10.74s/it] 62it [11:04, 10.73s/it] 63it [11:15, 10.73s/it] 64it [11:26, 10.73s/it] 65it [11:36, 10.72s/it] 66it [11:47, 10.73s/it] 67it [11:58, 10.74s/it] 68it [12:09, 10.76s/it] 69it [12:20, 10.84s/it] 70it [12:31, 10.86s/it] 71it [12:41, 10.83s/it] 72it [12:52, 10.82s/it] 73it [13:03, 10.80s/it] 74it [13:14, 10.78s/it] 75it [13:24, 10.76s/it] 76it [13:35, 10.75s/it] 77it [13:46, 10.73s/it] 78it [13:56, 10.74s/it] 79it [14:07, 10.73s/it] 80it [14:18, 10.76s/it] 81it [14:29, 10.80s/it] 82it [14:40, 10.82s/it] 83it [14:51, 10.80s/it] 84it [15:01, 10.77s/it] 85it [15:12, 10.76s/it] 86it [15:23, 10.74s/it] 87it [15:33, 10.72s/it] 88it [15:44, 10.72s/it] 89it [15:55, 10.72s/it] 90it [16:05, 10.71s/it] 91it [16:16, 10.68s/it] 92it [16:27, 10.64s/it] 93it [16:37, 10.61s/it] 94it [16:48, 10.59s/it] 95it [16:58, 10.57s/it] 96it [17:09, 10.58s/it] 97it [17:19, 10.56s/it] 98it [17:30, 10.55s/it] 99it [17:40, 10.53s/it] 100it [17:51, 10.52s/it] 101it [18:01, 10.53s/it] 102it [18:12, 10.55s/it] 103it [18:22, 10.53s/it] 104it [18:33, 10.52s/it] 105it [18:43, 10.51s/it] 106it [18:54, 10.52s/it] 107it [19:04, 10.51s/it] 108it [19:15, 10.49s/it] 109it [19:25, 10.46s/it] 110it [19:36, 10.48s/it] 111it [19:46, 10.49s/it] 112it [19:57, 10.50s/it] 113it [20:07, 10.52s/it] 114it [20:18, 10.52s/it] 115it [20:28, 10.50s/it] 116it [20:39, 10.50s/it] 117it [20:49, 10.50s/it] 118it [21:00, 10.50s/it] 119it [21:10, 10.51s/it] 120it [21:21, 10.49s/it] 121it [21:31, 10.48s/it] 122it [21:42, 10.48s/it] 123it [21:52, 10.45s/it] 124it [22:03, 10.44s/it] 125it [22:13, 10.40s/it] 126it [22:23, 10.39s/it] 127it [22:34, 10.38s/it] 128it [22:44, 10.38s/it] 129it [22:54, 10.38s/it] 130it [23:05, 10.37s/it] 131it [23:15, 10.36s/it] 132it [23:25, 10.38s/it] 133it [23:36, 10.35s/it] 134it [23:46, 10.34s/it] 135it [23:56, 10.35s/it] 136it [24:07, 10.36s/it] 137it [24:17, 10.37s/it] 138it [24:28, 10.37s/it] 139it [24:38, 10.38s/it] 140it [24:49, 10.41s/it] 141it [24:59, 10.42s/it] 142it [25:09, 10.45s/it] 143it [25:20, 10.45s/it] 144it [25:30, 10.45s/it] 145it [25:41, 10.45s/it] 146it [25:51, 10.43s/it] 147it [26:02, 10.41s/it] 148it [26:12, 10.39s/it] 149it [26:22, 10.40s/it] 150it [26:33, 10.40s/it] 151it [26:43, 10.40s/it] 152it [26:54, 10.41s/it] 153it [27:04, 10.41s/it] 154it [27:14, 10.40s/it] 155it [27:25, 10.42s/it] 156it [27:35, 10.42s/it] 157it [27:46, 10.41s/it] 158it [27:56, 10.40s/it] 159it [28:07, 10.43s/it] 160it [28:17, 10.46s/it] 161it [28:27, 10.45s/it] 162it [28:38, 10.41s/it] 163it [28:48, 10.42s/it] 164it [28:59, 10.43s/it] 165it [29:09, 10.42s/it] 166it [29:20, 10.43s/it] 167it [29:30, 10.43s/it] 168it [29:40, 10.44s/it] 169it [29:51, 10.45s/it] 170it [30:01, 10.44s/it] 171it [30:12, 10.45s/it] 172it [30:22, 10.45s/it] 173it [30:33, 10.48s/it] 174it [30:43, 10.50s/it] 175it [30:54, 10.50s/it] 176it [31:04, 10.48s/it] 177it [31:15, 10.47s/it] 178it [31:25, 10.46s/it] 179it [31:36, 10.46s/it] 180it [31:46, 10.48s/it] 181it [31:57, 10.52s/it] 182it [32:07, 10.55s/it] 183it [32:18, 10.55s/it] 184it [32:28, 10.55s/it] 185it [32:39, 10.57s/it] 186it [32:50, 10.58s/it] 187it [33:00, 10.58s/it] 188it [33:11, 10.59s/it] 189it [33:21, 10.59s/it] 190it [33:32, 10.57s/it] 191it [33:43, 10.58s/it] 192it [33:53, 10.58s/it] 193it [34:04, 10.58s/it] 194it [34:14, 10.60s/it] 195it [34:25, 10.60s/it] 196it [34:36, 10.60s/it] 197it [34:46, 10.59s/it] 198it [34:57, 10.61s/it] 199it [35:08, 10.65s/it] 200it [35:18, 10.63s/it] 201it [35:29, 10.63s/it] 202it [35:39, 10.62s/it] 203it [35:50, 10.62s/it] 204it [36:01, 10.60s/it] 205it [36:11, 10.62s/it] 206it [36:22, 10.61s/it] 207it [36:32, 10.63s/it] 208it [36:43, 10.62s/it] 209it [36:54, 10.61s/it] 210it [37:04, 10.62s/it] 211it [37:15, 10.63s/it] 212it [37:26, 10.64s/it] 213it [37:36, 10.63s/it] 214it [37:47, 10.61s/it] 215it [37:57, 10.60s/it] 216it [38:08, 10.61s/it] 217it [38:19, 10.60s/it] 218it [38:29, 10.60s/it] 219it [38:40, 10.57s/it] 220it [38:50, 10.57s/it] 221it [39:01, 10.57s/it] 222it [39:11, 10.57s/it] 223it [39:22, 10.59s/it] 224it [39:33, 10.59s/it] 225it [39:43, 10.56s/it] 226it [39:54, 10.56s/it] 227it [40:04, 10.55s/it] 228it [40:15, 10.55s/it] 229it [40:25, 10.51s/it] 230it [40:36, 10.50s/it] 231it [40:46, 10.49s/it] 232it [40:57, 10.48s/it] 233it [41:07, 10.49s/it] 234it [41:17, 10.48s/it] 235it [41:28, 10.48s/it] 236it [41:38, 10.50s/it] 237it [41:49, 10.49s/it] 238it [41:59, 10.48s/it] 239it [42:10, 10.49s/it] 240it [42:20, 10.50s/it] 241it [42:31, 10.50s/it] 242it [42:41, 10.49s/it] 243it [42:52, 10.50s/it] 244it [43:02, 10.51s/it] 245it [43:13, 10.51s/it] 246it [43:23, 10.50s/it] 247it [43:34, 10.49s/it] 248it [43:44, 10.49s/it] 249it [43:55, 10.49s/it] 250it [44:05, 10.49s/it] 251it [44:16, 10.50s/it] 252it [44:26, 10.51s/it] 253it [44:37, 10.51s/it] 254it [44:47, 10.51s/it] 255it [44:58, 10.49s/it] 256it [45:08, 10.48s/it] 257it [45:19, 10.48s/it] 258it [45:29, 10.48s/it] 259it [45:40, 10.48s/it] 260it [45:50, 10.47s/it] 261it [46:01, 10.48s/it] 262it [46:11, 10.48s/it] 263it [46:22, 10.49s/it] 264it [46:32, 10.50s/it] 265it [46:43, 10.48s/it] 266it [46:53, 10.48s/it] 267it [47:04, 10.47s/it] 268it [47:14, 10.49s/it] 269it [47:25, 10.48s/it] 270it [47:35, 10.49s/it] 271it [47:46, 10.50s/it] 272it [47:56, 10.50s/it] 273it [48:07, 10.52s/it] 274it [48:17, 10.51s/it] 275it [48:28, 10.51s/it] 276it [48:38, 10.52s/it] 277it [48:49, 10.49s/it] 278it [48:59, 10.50s/it] 279it [49:10, 10.50s/it] 280it [49:20, 10.54s/it] 281it [49:31, 10.55s/it] 282it [49:42, 10.58s/it] 283it [49:52, 10.57s/it] 284it [50:03, 10.64s/it] 285it [50:14, 10.64s/it] 286it [50:24, 10.62s/it] 287it [50:35, 10.58s/it] 288it [50:45, 10.59s/it] 289it [50:56, 10.59s/it] 290it [51:06, 10.57s/it] 291it [51:17, 10.55s/it] 292it [51:27, 10.54s/it] 293it [51:38, 10.54s/it] 294it [51:49, 10.56s/it] 295it [51:59, 10.58s/it] 296it [52:10, 10.59s/it] 297it [52:20, 10.60s/it] 298it [52:31, 10.63s/it] 299it [52:42, 10.64s/it] 300it [52:52, 10.63s/it] 301it [53:03, 10.61s/it] 302it [53:13, 10.59s/it] 303it [53:24, 10.59s/it] 304it [53:35, 10.57s/it] 305it [53:45, 10.57s/it] 306it [53:56, 10.58s/it] 307it [54:06, 10.61s/it] 308it [54:17, 10.59s/it] 309it [54:28, 10.59s/it] 310it [54:38, 10.57s/it] 311it [54:49, 10.57s/it] 312it [54:59, 10.55s/it] 313it [55:10, 10.58s/it] 314it [55:20, 10.56s/it] 315it [55:31, 10.57s/it] 316it [55:41, 10.54s/it] 317it [55:52, 10.52s/it] 318it [56:02, 10.53s/it] 319it [56:13, 10.51s/it] 320it [56:23, 10.53s/it] 321it [56:34, 10.53s/it] 322it [56:45, 10.55s/it] 323it [56:55, 10.55s/it] 324it [57:06, 10.55s/it] 325it [57:16, 10.54s/it] 326it [57:27, 10.52s/it] 327it [57:37, 10.51s/it] 328it [57:48, 10.51s/it] 329it [57:58, 10.50s/it] 330it [58:09, 10.55s/it] 331it [58:19, 10.55s/it] 332it [58:30, 10.61s/it] 333it [58:41, 10.59s/it] 334it [58:51, 10.58s/it] 335it [59:02, 10.58s/it] 336it [59:12, 10.58s/it] 337it [59:23, 10.59s/it] 338it [59:34, 10.58s/it] 339it [59:44, 10.59s/it] 340it [59:55, 10.58s/it] 341it [1:00:05, 10.57s/it] 342it [1:00:16, 10.55s/it] 343it [1:00:26, 10.56s/it] 344it [1:00:37, 10.55s/it] 345it [1:00:47, 10.55s/it] 346it [1:00:58, 10.53s/it] 347it [1:01:08, 10.53s/it] 348it [1:01:19, 10.54s/it] 349it [1:01:30, 10.54s/it] 350it [1:01:40, 10.52s/it] 351it [1:01:51, 10.53s/it] 352it [1:02:01, 10.55s/it] 353it [1:02:12, 10.57s/it] 354it [1:02:22, 10.57s/it] 355it [1:02:33, 10.56s/it] 356it [1:02:43, 10.56s/it] 357it [1:02:54, 10.57s/it] 358it [1:03:05, 10.56s/it] 359it [1:03:15, 10.59s/it] 360it [1:03:26, 10.57s/it] 361it [1:03:36, 10.58s/it] 362it [1:03:47, 10.57s/it] 363it [1:03:57, 10.55s/it] 364it [1:04:08, 10.56s/it] 365it [1:04:18, 10.54s/it] 366it [1:04:29, 10.55s/it] 367it [1:04:39, 10.52s/it] 368it [1:04:50, 10.51s/it] 369it [1:05:00, 10.51s/it] 370it [1:05:11, 10.49s/it] 371it [1:05:21, 10.48s/it] 372it [1:05:32, 10.47s/it] 373it [1:05:42, 10.47s/it] 374it [1:05:53, 10.47s/it] 375it [1:06:03, 10.48s/it] 376it [1:06:14, 10.45s/it] 377it [1:06:24, 10.46s/it] 378it [1:06:35, 10.48s/it] 379it [1:06:45, 10.49s/it] 380it [1:06:56, 10.50s/it] 381it [1:07:06, 10.50s/it] 382it [1:07:17, 10.49s/it] 383it [1:07:27, 10.51s/it] 384it [1:07:38, 10.49s/it] 385it [1:07:48, 10.48s/it] 386it [1:07:59, 10.49s/it] 387it [1:08:09, 10.50s/it] 388it [1:08:20, 10.48s/it] 389it [1:08:30, 10.49s/it] 390it [1:08:41, 10.48s/it] 391it [1:08:51, 10.46s/it] 392it [1:09:01, 10.47s/it] 393it [1:09:12, 10.47s/it] 394it [1:09:22, 10.48s/it] 395it [1:09:33, 10.49s/it] 396it [1:09:44, 10.51s/it] 397it [1:09:54, 10.51s/it] 398it [1:10:05, 10.50s/it] 399it [1:10:15, 10.51s/it] 400it [1:10:26, 10.50s/it] 401it [1:10:36, 10.52s/it] 402it [1:10:47, 10.52s/it] 403it [1:10:57, 10.51s/it] 404it [1:11:08, 10.49s/it] 405it [1:11:18, 10.49s/it] 406it [1:11:29, 10.50s/it] 407it [1:11:39, 10.48s/it] 408it [1:11:49, 10.49s/it] 409it [1:12:00, 10.47s/it] 410it [1:12:10, 10.45s/it] 411it [1:12:21, 10.45s/it] 412it [1:12:31, 10.46s/it] 413it [1:12:42, 10.46s/it] 414it [1:12:52, 10.45s/it] 415it [1:13:03, 10.46s/it] 416it [1:13:13, 10.45s/it] 417it [1:13:23, 10.43s/it] 418it [1:13:34, 10.43s/it] 419it [1:13:44, 10.44s/it] 420it [1:13:55, 10.45s/it] 421it [1:14:05, 10.43s/it] 422it [1:14:16, 10.42s/it] 423it [1:14:26, 10.44s/it] 424it [1:14:36, 10.43s/it] 425it [1:14:47, 10.44s/it] 426it [1:14:57, 10.45s/it] 427it [1:15:08, 10.42s/it] 428it [1:15:18, 10.41s/it] 429it [1:15:29, 10.43s/it] 430it [1:15:39, 10.47s/it] 431it [1:15:50, 10.48s/it] 432it [1:16:00, 10.51s/it] 433it [1:16:11, 10.51s/it] 434it [1:16:21, 10.54s/it] 435it [1:16:32, 10.54s/it] 436it [1:16:42, 10.53s/it] 437it [1:16:53, 10.54s/it] 438it [1:17:03, 10.53s/it] 439it [1:17:14, 10.50s/it] 440it [1:17:24, 10.49s/it] 441it [1:17:35, 10.49s/it] 442it [1:17:45, 10.49s/it] 443it [1:17:56, 10.48s/it] 444it [1:18:06, 10.47s/it] 445it [1:18:17, 10.45s/it] 446it [1:18:27, 10.44s/it] 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854it [2:28:43, 10.29s/it] 855it [2:28:54, 10.27s/it] 856it [2:29:04, 10.28s/it] 857it [2:29:14, 10.28s/it] 858it [2:29:24, 10.28s/it] 859it [2:29:35, 10.27s/it] 860it [2:29:45, 10.28s/it] 861it [2:29:55, 10.28s/it] 862it [2:30:06, 10.29s/it] 863it [2:30:16, 10.29s/it] 864it [2:30:26, 10.31s/it] 865it [2:30:36, 10.30s/it] 866it [2:30:47, 10.31s/it] 867it [2:30:57, 10.32s/it] 868it [2:31:07, 10.31s/it] 869it [2:31:18, 10.31s/it] 870it [2:31:28, 10.31s/it] 871it [2:31:38, 10.29s/it] 872it [2:31:49, 10.29s/it] 873it [2:31:59, 10.30s/it] 874it [2:32:09, 10.28s/it] 875it [2:32:19, 10.30s/it] 876it [2:32:30, 10.30s/it] 877it [2:32:40, 10.29s/it] 878it [2:32:50, 10.30s/it] 879it [2:33:01, 10.31s/it] 880it [2:33:11, 10.29s/it] 881it [2:33:21, 10.29s/it] 882it [2:33:31, 10.28s/it] 883it [2:33:42, 10.28s/it] 884it [2:33:52, 10.30s/it] 885it [2:34:02, 10.30s/it] 886it [2:34:13, 10.30s/it] 887it [2:34:23, 10.31s/it] 888it [2:34:33, 10.29s/it] 889it [2:34:44, 10.29s/it] 890it [2:34:54, 10.30s/it] 891it [2:35:04, 10.29s/it] 892it [2:35:14, 10.28s/it] 893it [2:35:25, 10.27s/it] 894it [2:35:35, 10.27s/it] 895it [2:35:45, 10.28s/it] 896it [2:35:55, 10.28s/it] 897it [2:36:06, 10.28s/it] 898it [2:36:16, 10.29s/it] 899it [2:36:26, 10.29s/it] 900it [2:36:37, 10.29s/it] 901it [2:36:47, 10.30s/it] 902it [2:36:57, 10.30s/it] 903it [2:37:08, 10.28s/it] 904it [2:37:18, 10.28s/it] 905it [2:37:28, 10.31s/it] 906it [2:37:39, 10.34s/it] 907it [2:37:49, 10.32s/it] 908it [2:37:59, 10.28s/it] 909it [2:38:09, 10.28s/it] 910it [2:38:20, 10.28s/it] 911it [2:38:30, 10.30s/it] 912it [2:38:40, 10.28s/it] 913it [2:38:50, 10.28s/it] 914it [2:39:01, 10.30s/it] 915it [2:39:11, 10.31s/it] 916it [2:39:22, 10.32s/it] 917it [2:39:32, 10.30s/it] 918it [2:39:42, 10.31s/it] 919it [2:39:52, 10.30s/it] 920it [2:40:03, 10.31s/it] 921it [2:40:13, 10.31s/it] 922it [2:40:23, 10.30s/it] 923it [2:40:34, 10.30s/it] 924it [2:40:44, 10.30s/it] 925it [2:40:54, 10.29s/it] 926it [2:41:04, 10.29s/it] 927it [2:41:15, 10.29s/it] 928it [2:41:25, 10.31s/it] 929it [2:41:35, 10.32s/it] 930it [2:41:46, 10.32s/it] 931it [2:41:56, 10.32s/it] 932it [2:42:06, 10.31s/it] 933it [2:42:17, 10.32s/it] 934it [2:42:27, 10.32s/it] 935it [2:42:37, 10.33s/it] 936it [2:42:48, 10.33s/it] 937it [2:42:58, 10.31s/it] 938it [2:43:08, 10.32s/it] 939it [2:43:19, 10.30s/it] 940it [2:43:29, 10.31s/it] 941it [2:43:39, 10.32s/it] 942it [2:43:50, 10.31s/it] 943it [2:44:00, 10.31s/it] 944it [2:44:10, 10.29s/it] 945it [2:44:20, 10.28s/it] 946it [2:44:31, 10.30s/it] 947it [2:44:41, 10.33s/it] 948it [2:44:51, 10.32s/it] 949it [2:45:02, 10.32s/it] 950it [2:45:12, 10.31s/it] 951it [2:45:22, 10.30s/it] 952it [2:45:33, 10.29s/it] 953it [2:45:43, 10.29s/it] 954it [2:45:53, 10.30s/it] 955it [2:46:03, 10.31s/it] 956it [2:46:14, 10.31s/it] 957it [2:46:24, 10.30s/it] 958it [2:46:34, 10.32s/it] 959it [2:46:45, 10.32s/it] 960it [2:46:55, 10.31s/it] 961it [2:47:05, 10.29s/it] 962it [2:47:16, 10.28s/it] 963it [2:47:26, 10.29s/it] 964it [2:47:36, 10.30s/it] 965it [2:47:46, 10.29s/it] 966it [2:47:57, 10.30s/it] 967it [2:48:07, 10.28s/it] 968it [2:48:17, 10.28s/it] 969it [2:48:28, 10.27s/it] 970it [2:48:38, 10.27s/it] 971it [2:48:48, 10.28s/it] 972it [2:48:58, 10.29s/it] 973it [2:49:09, 10.29s/it] 974it [2:49:19, 10.27s/it] 975it [2:49:29, 10.28s/it] 976it [2:49:40, 10.28s/it] 977it [2:49:50, 10.28s/it] 978it [2:50:00, 10.31s/it] 979it [2:50:10, 10.31s/it] 980it [2:50:21, 10.29s/it] 981it [2:50:31, 10.30s/it] 982it [2:50:41, 10.28s/it] 983it [2:50:52, 10.28s/it] 984it [2:51:02, 10.30s/it] 985it [2:51:12, 10.29s/it] 986it [2:51:22, 10.27s/it] 987it [2:51:33, 10.29s/it] 988it [2:51:43, 10.29s/it] 989it [2:51:53, 10.30s/it] 990it [2:52:04, 10.30s/it] 991it [2:52:14, 10.31s/it] 992it [2:52:24, 10.30s/it] 993it [2:52:35, 10.29s/it] 994it [2:52:45, 10.30s/it] 995it [2:52:55, 10.28s/it] 996it [2:53:05, 10.28s/it] 997it [2:53:16, 10.30s/it] 998it [2:53:26, 10.32s/it] 999it [2:53:36, 10.32s/it] 1000it [2:53:47, 10.31s/it] 1000it [2:53:47, 10.43s/it] Error counts: cyclic_id: 0 cyclic_inchikey: 0 cyclic_scaffold: 0 cyclic_mwt: 0 cyclic_clogp: 0 cyclic_tpsa: 0 ⏰ Completed process in 8:29:29.037217 0it [00:00, ?it/s] 1it [00:00, 8.57it/s] 2it [00:00, 8.86it/s] 3it [00:00, 9.13it/s] 4it [00:00, 9.29it/s] 5it [00:00, 9.43it/s] 6it [00:00, 9.51it/s] 7it [00:00, 9.50it/s] 8it [00:00, 9.55it/s] 9it [00:00, 9.58it/s] 10it [00:01, 9.54it/s] 11it [00:01, 9.57it/s] 12it [00:01, 9.59it/s] 13it [00:01, 9.63it/s] 14it [00:01, 9.59it/s] 15it [00:01, 9.61it/s] 16it [00:01, 9.55it/s] 17it [00:01, 9.56it/s] 18it [00:01, 9.59it/s] 19it [00:01, 9.62it/s] 20it [00:02, 9.66it/s] 21it [00:02, 9.62it/s] 22it [00:02, 9.62it/s] 23it [00:02, 9.65it/s] 24it [00:02, 9.65it/s] 25it [00:02, 9.59it/s] 26it [00:02, 9.60it/s] 27it [00:02, 9.61it/s] 28it [00:02, 9.57it/s] 29it [00:03, 9.60it/s] 30it [00:03, 9.62it/s] 31it [00:03, 9.59it/s] 32it [00:03, 9.59it/s] 33it [00:03, 9.61it/s] 34it [00:03, 9.57it/s] 35it [00:03, 9.59it/s] 36it [00:03, 9.63it/s] 37it [00:03, 9.61it/s] 38it [00:03, 9.59it/s] 39it [00:04, 9.57it/s] 40it [00:04, 9.60it/s] 41it [00:04, 8.89it/s] 42it [00:04, 9.09it/s] 43it [00:04, 9.24it/s] 44it [00:04, 9.20it/s] 45it [00:04, 9.29it/s] 46it [00:04, 9.39it/s] 47it [00:04, 9.46it/s] 48it [00:05, 9.52it/s] 49it [00:05, 9.54it/s] 50it [00:05, 9.54it/s] 51it [00:05, 9.58it/s] 52it [00:05, 9.62it/s] 53it [00:05, 9.66it/s] 54it [00:05, 9.68it/s] 55it [00:05, 9.63it/s] 56it [00:05, 9.49it/s] 57it [00:05, 9.54it/s] 58it [00:06, 9.51it/s] 59it [00:06, 9.51it/s] 60it [00:06, 9.54it/s] 61it [00:06, 9.56it/s] 62it [00:06, 9.53it/s] 63it [00:06, 9.53it/s] 64it [00:06, 9.55it/s] 65it [00:06, 9.58it/s] 66it [00:06, 9.53it/s] 67it [00:07, 9.56it/s] 68it [00:07, 9.56it/s] 69it [00:07, 9.57it/s] 70it [00:07, 9.62it/s] 71it [00:07, 9.56it/s] 72it [00:07, 9.56it/s] 73it [00:07, 9.59it/s] 74it [00:07, 9.59it/s] 75it [00:07, 9.59it/s] 76it [00:07, 9.57it/s] 77it [00:08, 9.59it/s] 78it [00:08, 9.61it/s] 79it [00:08, 9.57it/s] 80it [00:08, 9.55it/s] 81it [00:08, 9.58it/s] 82it [00:08, 9.59it/s] 83it [00:08, 9.59it/s] 84it [00:08, 9.56it/s] 85it [00:08, 9.55it/s] 86it [00:09, 9.56it/s] 87it [00:09, 9.58it/s] 88it [00:09, 9.56it/s] 89it [00:09, 9.23it/s] 90it [00:09, 9.33it/s] 91it [00:09, 9.37it/s] 92it [00:09, 9.42it/s] 93it [00:09, 9.45it/s] 94it [00:09, 9.49it/s] 95it [00:09, 9.49it/s] 96it [00:10, 9.51it/s] 97it [00:10, 9.53it/s] 98it [00:10, 9.51it/s] 99it [00:10, 9.55it/s] 100it [00:10, 9.59it/s] 101it [00:10, 9.54it/s] 102it [00:10, 9.51it/s] 103it [00:10, 9.55it/s] 104it [00:10, 9.57it/s] 105it [00:11, 9.55it/s] 106it [00:11, 9.55it/s] 107it [00:11, 9.57it/s] 108it [00:11, 9.59it/s] 109it [00:11, 9.48it/s] 110it [00:11, 9.50it/s] 111it [00:11, 9.53it/s] 112it [00:11, 9.55it/s] 113it [00:11, 9.54it/s] 114it [00:11, 9.53it/s] 115it [00:12, 9.55it/s] 116it [00:12, 9.59it/s] 117it [00:12, 9.57it/s] 118it [00:12, 9.56it/s] 119it [00:12, 9.52it/s] 120it [00:12, 9.53it/s] 121it [00:12, 9.53it/s] 122it [00:12, 9.54it/s] 123it [00:12, 9.58it/s] 124it [00:13, 9.57it/s] 125it [00:13, 9.61it/s] 126it [00:13, 9.61it/s] 127it [00:13, 9.55it/s] 128it [00:13, 9.54it/s] 129it [00:13, 9.55it/s] 130it [00:13, 9.57it/s] 131it [00:13, 9.56it/s] 132it [00:13, 9.56it/s] 133it [00:13, 9.57it/s] 134it [00:14, 9.58it/s] 135it [00:14, 9.55it/s] 136it [00:14, 9.53it/s] 137it [00:14, 9.56it/s] 138it [00:14, 9.57it/s] 139it [00:14, 9.56it/s] 140it [00:14, 9.56it/s] 141it [00:14, 9.56it/s] 142it [00:14, 9.58it/s] 143it [00:15, 9.55it/s] 144it [00:15, 9.57it/s] 145it [00:15, 9.57it/s] 146it [00:15, 9.58it/s] 147it [00:15, 9.56it/s] 148it [00:15, 9.56it/s] 149it [00:15, 9.57it/s] 150it [00:15, 9.58it/s] 151it [00:15, 9.60it/s] 152it [00:15, 9.59it/s] 153it [00:16, 9.55it/s] 154it [00:16, 9.55it/s] 155it [00:16, 9.60it/s] 156it [00:16, 9.56it/s] 157it [00:16, 9.57it/s] 158it [00:16, 9.60it/s] 159it [00:16, 9.59it/s] 160it [00:16, 9.54it/s] 161it [00:16, 9.54it/s] 162it [00:16, 9.54it/s] 163it [00:17, 9.52it/s] 164it [00:17, 9.55it/s] 165it [00:17, 9.55it/s] 166it [00:17, 9.55it/s] 167it [00:17, 9.55it/s] 168it [00:17, 9.61it/s] 169it [00:17, 9.56it/s] 170it [00:17, 9.54it/s] 171it [00:17, 9.55it/s] 172it [00:18, 9.54it/s] 173it [00:18, 9.54it/s] 174it [00:18, 9.50it/s] 175it [00:18, 9.52it/s] 176it [00:18, 9.54it/s] 177it [00:18, 9.54it/s] 178it [00:18, 9.55it/s] 179it [00:18, 9.58it/s] 180it [00:18, 9.53it/s] 181it [00:18, 9.54it/s] 182it [00:19, 9.56it/s] 183it [00:19, 9.57it/s] 184it [00:19, 9.54it/s] 185it [00:19, 9.54it/s] 186it [00:19, 9.55it/s] 187it [00:19, 9.54it/s] 188it [00:19, 9.54it/s] 189it [00:19, 9.56it/s] 190it [00:19, 9.57it/s] 191it [00:20, 9.53it/s] 192it [00:20, 9.52it/s] 193it [00:20, 9.53it/s] 194it [00:20, 9.53it/s] 195it [00:20, 9.52it/s] 196it [00:20, 9.50it/s] 197it [00:20, 9.52it/s] 198it [00:20, 9.54it/s] 199it [00:20, 9.51it/s] 200it [00:20, 9.52it/s] 201it [00:21, 9.42it/s] 202it [00:21, 9.49it/s] 203it [00:21, 9.47it/s] 204it [00:21, 9.51it/s] 205it [00:21, 9.55it/s] 206it [00:21, 9.60it/s] 207it [00:21, 9.57it/s] 208it [00:21, 9.59it/s] 209it [00:21, 9.51it/s] 210it [00:22, 9.52it/s] 211it [00:22, 9.54it/s] 212it [00:22, 9.51it/s] 213it [00:22, 9.57it/s] 214it [00:22, 9.55it/s] 215it [00:22, 9.56it/s] 216it [00:22, 9.55it/s] 217it [00:22, 9.60it/s] 218it [00:22, 9.60it/s] 219it [00:22, 9.59it/s] 220it [00:23, 9.58it/s] 221it [00:23, 9.60it/s] 222it [00:23, 9.60it/s] 223it [00:23, 9.56it/s] 224it [00:23, 9.57it/s] 225it [00:23, 9.62it/s] 226it [00:23, 9.58it/s] 227it [00:23, 9.62it/s] 228it [00:23, 9.61it/s] 229it [00:24, 9.53it/s] 230it [00:24, 9.54it/s] 231it [00:24, 9.55it/s] 232it [00:24, 9.51it/s] 233it [00:24, 9.52it/s] 234it [00:24, 9.53it/s] 235it [00:24, 9.58it/s] 236it [00:24, 9.54it/s] 237it [00:24, 9.55it/s] 238it [00:24, 9.56it/s] 239it [00:25, 9.51it/s] 240it [00:25, 9.54it/s] 241it [00:25, 9.57it/s] 242it [00:25, 9.61it/s] 243it [00:25, 9.57it/s] 244it [00:25, 9.56it/s] 245it [00:25, 9.60it/s] 246it [00:25, 9.61it/s] 247it [00:25, 9.58it/s] 248it [00:25, 9.59it/s] 249it [00:26, 9.61it/s] 250it [00:26, 9.63it/s] 251it [00:26, 9.61it/s] 252it [00:26, 9.62it/s] 253it [00:26, 9.67it/s] 254it [00:26, 9.61it/s] 255it [00:26, 9.63it/s] 256it [00:26, 9.66it/s] 257it [00:26, 9.64it/s] 258it [00:27, 9.63it/s] 259it [00:27, 9.61it/s] 260it [00:27, 9.64it/s] 261it [00:27, 9.64it/s] 262it [00:27, 9.59it/s] 263it [00:27, 9.57it/s] 264it [00:27, 9.57it/s] 265it [00:27, 9.52it/s] 266it [00:27, 9.52it/s] 267it [00:27, 9.55it/s] 268it [00:28, 9.54it/s] 269it [00:28, 9.46it/s] 270it [00:28, 9.52it/s] 271it [00:28, 9.56it/s] 272it [00:28, 9.53it/s] 273it [00:28, 9.48it/s] 274it [00:28, 9.50it/s] 275it [00:28, 9.56it/s] 276it [00:28, 9.53it/s] 277it [00:29, 9.57it/s] 278it [00:29, 9.58it/s] 279it [00:29, 9.55it/s] 280it [00:29, 9.57it/s] 281it [00:29, 9.60it/s] 282it [00:29, 9.60it/s] 283it [00:29, 9.55it/s] 284it [00:29, 9.55it/s] 285it [00:29, 9.56it/s] 286it [00:29, 9.52it/s] 287it [00:30, 9.54it/s] 288it [00:30, 9.55it/s] 289it [00:30, 9.56it/s] 290it [00:30, 9.57it/s] 291it [00:30, 9.61it/s] 292it [00:30, 9.58it/s] 293it [00:30, 9.58it/s] 294it [00:30, 9.57it/s] 295it [00:30, 9.54it/s] 296it [00:31, 9.57it/s] 297it [00:31, 9.60it/s] 298it [00:31, 9.61it/s] 299it [00:31, 9.58it/s] 300it [00:31, 9.58it/s] 301it [00:31, 9.61it/s] 302it [00:31, 9.64it/s] 303it [00:31, 9.59it/s] 304it [00:31, 9.57it/s] 305it [00:31, 9.59it/s] 306it [00:32, 9.58it/s] 307it [00:32, 9.59it/s] 308it [00:32, 9.54it/s] 309it [00:32, 9.53it/s] 310it [00:32, 8.95it/s] 311it [00:32, 9.09it/s] 312it [00:32, 9.23it/s] 313it [00:32, 9.32it/s] 314it [00:32, 9.42it/s] 315it [00:33, 9.44it/s] 316it [00:33, 9.51it/s] 317it [00:33, 9.51it/s] 318it [00:33, 9.52it/s] 319it [00:33, 9.56it/s] 320it [00:33, 9.52it/s] 321it [00:33, 9.55it/s] 322it [00:33, 9.57it/s] 323it [00:33, 9.51it/s] 324it [00:33, 9.50it/s] 325it [00:34, 9.55it/s] 326it [00:34, 9.57it/s] 327it [00:34, 9.54it/s] 328it [00:34, 9.57it/s] 329it [00:34, 9.57it/s] 330it [00:34, 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[01:39, 9.47it/s] 954it [01:40, 9.48it/s] 955it [01:40, 9.50it/s] 956it [01:40, 9.55it/s] 957it [01:40, 9.53it/s] 958it [01:40, 9.48it/s] 959it [01:40, 9.50it/s] 960it [01:40, 9.54it/s] 961it [01:40, 9.53it/s] 962it [01:40, 9.53it/s] 963it [01:40, 9.54it/s] 964it [01:41, 9.49it/s] 965it [01:41, 9.46it/s] 966it [01:41, 9.51it/s] 967it [01:41, 9.55it/s] 968it [01:41, 9.52it/s] 969it [01:41, 9.51it/s] 970it [01:41, 9.54it/s] 971it [01:41, 9.56it/s] 972it [01:41, 9.60it/s] 973it [01:42, 9.58it/s] 974it [01:42, 9.61it/s] 975it [01:42, 9.61it/s] 976it [01:42, 9.62it/s] 977it [01:42, 9.60it/s] 978it [01:42, 9.60it/s] 979it [01:42, 9.60it/s] 980it [01:42, 9.65it/s] 981it [01:42, 9.63it/s] 982it [01:42, 9.63it/s] 983it [01:43, 9.62it/s] 984it [01:43, 9.65it/s] 985it [01:43, 9.62it/s] 986it [01:43, 9.61it/s] 987it [01:43, 9.62it/s] 988it [01:43, 9.66it/s] 989it [01:43, 9.61it/s] 990it [01:43, 9.60it/s] 991it [01:43, 9.56it/s] 992it [01:44, 9.58it/s] 993it [01:44, 9.59it/s] 994it [01:44, 9.62it/s] 995it [01:44, 9.64it/s] 996it [01:44, 9.62it/s] 997it [01:44, 9.63it/s] 998it [01:44, 9.64it/s] 999it [01:44, 9.62it/s] 1000it [01:44, 9.62it/s] 1000it [01:44, 9.54it/s] Split counts: train: 674000 test: 164000 validation: 162000 ⏰ Completed process in 8:31:15.269624 ++ date + echo 'Sat 2 Nov 00:25:46 GMT 2024 :: 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-4000000-5000000.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-4000000-5000000.csv.gz + split_dir=20241101_peptides_6-12x100M/train ++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-4000000-5000000.csv.gz .csv.gz + split_file=20241101_peptides_6-12x100M/train/peptides_length-10_n-100000000_slice-4000000-5000000.csv.gz + mkdir -p 20241101_peptides_6-12x100M/train ++ date + echo 'Sat 2 Nov 00:25:46 GMT 2024 :: Saving train...' Sat 2 Nov 00:25:46 GMT 2024 :: Saving train... + zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-4000000-5000000.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 00:26:45 GMT 2024 :: 20241101_peptides_6-12x100M/train/peptides_length-10_n-100000000_slice-4000000-5000000.csv.gz' + for split in train test validation ++ dirname 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-4000000-5000000.csv.gz + split_dir=20241101_peptides_6-12x100M/test ++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-4000000-5000000.csv.gz .csv.gz + split_file=20241101_peptides_6-12x100M/test/peptides_length-10_n-100000000_slice-4000000-5000000.csv.gz + mkdir -p 20241101_peptides_6-12x100M/test ++ date + echo 'Sat 2 Nov 00:26:45 GMT 2024 :: Saving test...' Sat 2 Nov 00:26:45 GMT 2024 :: Saving test... + zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-4000000-5000000.csv.gz + gzip --best + awk -F, -v OFS=, -v c1=is_test 'NR == 1 { n=split($0,h); for(i=1;i<=n;i++) col[h[i]]=i; print $0 }; ( NR > 1 && $col[c1] == "True" ) { print $0 }' ++ date + echo 'Sat 2 Nov 00:27:10 GMT 2024 :: 20241101_peptides_6-12x100M/test/peptides_length-10_n-100000000_slice-4000000-5000000.csv.gz' + for split in train test validation ++ dirname 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-4000000-5000000.csv.gz + split_dir=20241101_peptides_6-12x100M/validation ++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-4000000-5000000.csv.gz .csv.gz + split_file=20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-4000000-5000000.csv.gz + mkdir -p 20241101_peptides_6-12x100M/validation ++ date + echo 'Sat 2 Nov 00:27:10 GMT 2024 :: Saving validation...' Sat 2 Nov 00:27:10 GMT 2024 :: Saving validation... + zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-4000000-5000000.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 00:27:36 GMT 2024 :: 20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-4000000-5000000.csv.gz' + '[' -e 20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-4000000-5000000.csv.gz.success ']' + rm 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-4000000-5000000.csv.gz 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-4000000-5000000.csv.gz.success + set +x Sat 2 Nov 00:27:36 GMT 2024 > Peptide generation complete