20241101_peptides_6-12x100M_l-10_n-100000000_slice-21000000-22000000.log

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 <http://gnu.org/licenses/gpl.html>

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 .
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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='<stdout>' mode='w' encoding='utf-8'>
	format: None
	input: <_io.TextIOWrapper name='<stdin>' 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: <function _convert at 0x7f11fa2ff240>
🚀 Splitting table with the following parameters:
	subcommand: split
	output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'>
	format: None
	input: <_io.TextIOWrapper name='<stdin>' 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: <function _split at 0x7fa8934174c0>
🚀 Converting between string representations with the following parameters:
	subcommand: convert
	output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'>
	format: None
	input: <_io.TextIOWrapper name='<stdin>' mode='r' encoding='utf-8'>
	representation: SMILES
	column: SMILES
	prefix: linear_
	to: ['id', 'inchikey', 'scaffold', 'mwt', 'clogp', 'tpsa']
	options: ['prefix=SCB-']
	func: <function _convert at 0x7f9eed7cf240>
🚀 Reacting peptides with the following parameters:
	subcommand: react
	output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'>
	format: None
	input: <_io.TextIOWrapper name='<stdin>' mode='r' encoding='utf-8'>
	representation: SMILES
	column: SMILES
	name: None
	reaction: ['cysteine_to_N_cyclization']
	func: <function _react at 0x7fec2eae39c0>
🚀 Enumerating peptides with the following parameters:
	subcommand: enumerate
	output: <_io.TextIOWrapper name='<stdout>' 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: <function _enum at 0x7efc5588f880>
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. 

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865it [16:02,  1.03s/it]
866it [16:03,  1.03s/it]
867it [16:04,  1.03s/it]
868it [16:05,  1.02s/it]
869it [16:06,  1.01s/it]
870it [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]
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963it [2:58:39, 10.49s/it]
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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

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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]
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619it [1:52:03, 10.75s/it]
620it [1:52:14, 10.72s/it]
621it [1:52:25, 10.69s/it]
622it [1:52:35, 10.66s/it]
623it [1:52:46, 10.65s/it]
624it [1:52:57, 10.66s/it]
625it [1:53:07, 10.63s/it]
626it [1:53:18, 10.63s/it]
627it [1:53:28, 10.63s/it]
628it [1:53:39, 10.66s/it]
629it [1:53:50, 10.67s/it]
630it [1:54:01, 10.66s/it]
631it [1:54:11, 10.65s/it]
632it [1:54:22, 10.67s/it]
633it [1:54:33, 10.67s/it]
634it [1:54:43, 10.64s/it]
635it [1:54:54, 10.65s/it]
636it [1:55:04, 10.65s/it]
637it [1:55:15, 10.63s/it]
638it [1:55:26, 10.64s/it]
639it [1:55:36, 10.65s/it]
640it [1:55:47, 10.65s/it]
641it [1:55:58, 10.65s/it]
642it [1:56:08, 10.62s/it]
643it [1:56:19, 10.62s/it]
644it [1:56:29, 10.63s/it]
645it [1:56:40, 10.62s/it]
646it [1:56:51, 10.62s/it]
647it [1:57:01, 10.63s/it]
648it [1:57:12, 10.63s/it]
649it [1:57:23, 10.63s/it]
650it [1:57:33, 10.62s/it]
651it [1:57:44, 10.62s/it]
652it [1:57:54, 10.62s/it]
653it [1:58:05, 10.64s/it]
654it [1:58:16, 10.63s/it]
655it [1:58:26, 10.63s/it]
656it [1:58:37, 10.62s/it]
657it [1:58:48, 10.62s/it]
658it [1:58:58, 10.69s/it]
659it [1:59:09, 10.65s/it]
660it [1:59:20, 10.62s/it]
661it [1:59:30, 10.61s/it]
662it [1:59:41, 10.61s/it]
663it [1:59:51, 10.60s/it]
664it [2:00:02, 10.60s/it]
665it [2:00:13, 10.62s/it]
666it [2:00:23, 10.61s/it]
667it [2:00:34, 10.62s/it]
668it [2:00:44, 10.62s/it]
669it [2:00:55, 10.62s/it]
670it [2:01:06, 10.60s/it]
671it [2:01:16, 10.59s/it]
672it [2:01:27, 10.59s/it]
673it [2:01:37, 10.58s/it]
674it [2:01:48, 10.59s/it]
675it [2:01:59, 10.58s/it]
676it [2:02:09, 10.59s/it]
677it [2:02:20, 10.58s/it]
678it [2:02:30, 10.54s/it]
679it [2:02:41, 10.54s/it]
680it [2:02:51, 10.54s/it]
681it [2:03:02, 10.55s/it]
682it [2:03:12, 10.54s/it]
683it [2:03:23, 10.53s/it]
684it [2:03:33, 10.58s/it]
685it [2:03:44, 10.57s/it]
686it [2:03:55, 10.57s/it]
687it [2:04:05, 10.55s/it]
688it [2:04:16, 10.57s/it]
689it [2:04:26, 10.61s/it]
690it [2:04:37, 10.61s/it]
691it [2:04:48, 10.60s/it]
692it [2:04:58, 10.62s/it]
693it [2:05:09, 10.63s/it]
694it [2:05:20, 10.61s/it]
695it [2:05:30, 10.59s/it]
696it [2:05:41, 10.58s/it]
697it [2:05:51, 10.60s/it]
698it [2:06:02, 10.62s/it]
699it [2:06:13, 10.62s/it]
700it [2:06:23, 10.62s/it]
701it [2:06:34, 10.63s/it]
702it [2:06:44, 10.62s/it]
703it [2:06:55, 10.60s/it]
704it [2:07:06, 10.62s/it]
705it [2:07:16, 10.62s/it]
706it [2:07:27, 10.61s/it]
707it [2:07:37, 10.62s/it]
708it [2:07:48, 10.61s/it]
709it [2:07:59, 10.62s/it]
710it [2:08:09, 10.59s/it]
711it [2:08:20, 10.58s/it]
712it [2:08:30, 10.58s/it]
713it [2:08:41, 10.58s/it]
714it [2:08:52, 10.60s/it]
715it [2:09:02, 10.60s/it]
716it [2:09:13, 10.60s/it]
717it [2:09:23, 10.59s/it]
718it [2:09:34, 10.59s/it]
719it [2:09:45, 10.59s/it]
720it [2:09:55, 10.61s/it]
721it [2:10:06, 10.59s/it]
722it [2:10:16, 10.57s/it]
723it [2:10:27, 10.56s/it]
724it [2:10:37, 10.57s/it]
725it [2:10:48, 10.58s/it]
726it [2:10:59, 10.59s/it]
727it [2:11:09, 10.57s/it]
728it [2:11:20, 10.57s/it]
729it [2:11:31, 10.65s/it]
730it [2:11:41, 10.66s/it]
731it [2:11:52, 10.64s/it]
732it [2:12:02, 10.64s/it]
733it [2:12:13, 10.63s/it]
734it [2:12:24, 10.62s/it]
735it [2:12:34, 10.62s/it]
736it [2:12:45, 10.59s/it]
737it [2:12:55, 10.61s/it]
738it [2:13:06, 10.60s/it]
739it [2:13:17, 10.61s/it]
740it [2:13:27, 10.63s/it]
741it [2:13:38, 10.63s/it]
742it [2:13:49, 10.61s/it]
743it [2:13:59, 10.60s/it]
744it [2:14:10, 10.62s/it]
745it [2:14:20, 10.64s/it]
746it [2:14:31, 10.66s/it]
747it [2:14:42, 10.62s/it]
748it [2:14:52, 10.59s/it]
749it [2:15:03, 10.62s/it]
750it [2:15:14, 10.62s/it]
751it [2:15:24, 10.63s/it]
752it [2:15:35, 10.63s/it]
753it [2:15:45, 10.60s/it]
754it [2:15:56, 10.59s/it]
755it [2:16:07, 10.60s/it]
756it [2:16:17, 10.62s/it]
757it [2:16:28, 10.61s/it]
758it [2:16:38, 10.60s/it]
759it [2:16:49, 10.58s/it]
760it [2:17:00, 10.60s/it]
761it [2:17:10, 10.62s/it]
762it [2:17:21, 10.62s/it]
763it [2:17:32, 10.64s/it]
764it [2:17:42, 10.65s/it]
765it [2:17:53, 10.65s/it]
766it [2:18:03, 10.65s/it]
767it [2:18:14, 10.66s/it]
768it [2:18:25, 10.63s/it]
769it [2:18:35, 10.63s/it]
770it [2:18:46, 10.62s/it]
771it [2:18:57, 10.62s/it]
772it [2:19:07, 10.59s/it]
773it [2:19:18, 10.59s/it]
774it [2:19:28, 10.59s/it]
775it [2:19:39, 10.57s/it]
776it [2:19:49, 10.57s/it]
777it [2:20:00, 10.56s/it]
778it [2:20:10, 10.57s/it]
779it [2:20:21, 10.57s/it]
780it [2:20:32, 10.59s/it]
781it [2:20:42, 10.56s/it]
782it [2:20:53, 10.59s/it]
783it [2:21:03, 10.58s/it]
784it [2:21:14, 10.55s/it]
785it [2:21:24, 10.54s/it]
786it [2:21:35, 10.55s/it]
787it [2:21:45, 10.54s/it]
788it [2:21:56, 10.53s/it]
789it [2:22:07, 10.55s/it]
790it [2:22:17, 10.61s/it]
791it [2:22:28, 10.59s/it]
792it [2:22:38, 10.58s/it]
793it [2:22:49, 10.57s/it]
794it [2:22:59, 10.55s/it]
795it [2:23:10, 10.55s/it]
796it [2:23:21, 10.54s/it]
797it [2:23:31, 10.54s/it]
798it [2:23:42, 10.53s/it]
799it [2:23:52, 10.55s/it]
800it [2:24:03, 10.56s/it]
801it [2:24:13, 10.56s/it]
802it [2:24:24, 10.59s/it]
803it [2:24:35, 10.62s/it]
804it [2:24:45, 10.62s/it]
805it [2:24:56, 10.60s/it]
806it [2:25:06, 10.57s/it]
807it [2:25:17, 10.56s/it]
808it [2:25:27, 10.54s/it]
809it [2:25:38, 10.56s/it]
810it [2:25:49, 10.55s/it]
811it [2:25:59, 10.58s/it]
812it [2:26:10, 10.55s/it]
813it [2:26:20, 10.55s/it]
814it [2:26:31, 10.56s/it]
815it [2:26:41, 10.53s/it]
816it [2:26:52, 10.53s/it]
817it [2:27:02, 10.55s/it]
818it [2:27:13, 10.55s/it]
819it [2:27:23, 10.52s/it]
820it [2:27:34, 10.53s/it]
821it [2:27:44, 10.52s/it]
822it [2:27:55, 10.53s/it]
823it [2:28:06, 10.53s/it]
824it [2:28:16, 10.53s/it]
825it [2:28:27, 10.55s/it]
826it [2:28:37, 10.53s/it]
827it [2:28:48, 10.52s/it]
828it [2:28:58, 10.53s/it]
829it [2:29:09, 10.53s/it]
830it [2:29:19, 10.54s/it]
831it [2:29:30, 10.53s/it]
832it [2:29:40, 10.53s/it]
833it [2:29:51, 10.54s/it]
834it [2:30:01, 10.53s/it]
835it [2:30:12, 10.51s/it]
836it [2:30:22, 10.54s/it]
837it [2:30:33, 10.54s/it]
838it [2:30:44, 10.54s/it]
839it [2:30:54, 10.54s/it]
840it [2:31:05, 10.55s/it]
841it [2:31:15, 10.54s/it]
842it [2:31:26, 10.54s/it]
843it [2:31:36, 10.54s/it]
844it [2:31:47, 10.55s/it]
845it [2:31:57, 10.55s/it]
846it [2:32:08, 10.55s/it]
847it [2:32:18, 10.55s/it]
848it [2:32:29, 10.55s/it]
849it [2:32:39, 10.52s/it]
850it [2:32:50, 10.52s/it]
851it [2:33:00, 10.52s/it]
852it [2:33:11, 10.51s/it]
853it [2:33:22, 10.53s/it]
854it [2:33:32, 10.52s/it]
855it [2:33:43, 10.52s/it]
856it [2:33:53, 10.53s/it]
857it [2:34:04, 10.53s/it]
858it [2:34:14, 10.53s/it]
859it [2:34:25, 10.52s/it]
860it [2:34:35, 10.51s/it]
861it [2:34:46, 10.53s/it]
862it [2:34:56, 10.53s/it]
863it [2:35:07, 10.52s/it]
864it [2:35:17, 10.52s/it]
865it [2:35:28, 10.53s/it]
866it [2:35:38, 10.52s/it]
867it [2:35:49, 10.55s/it]
868it [2:35:59, 10.54s/it]
869it [2:36:10, 10.54s/it]
870it [2:36:21, 10.53s/it]
871it [2:36:31, 10.54s/it]
872it [2:36:42, 10.52s/it]
873it [2:36:52, 10.52s/it]
874it [2:37:03, 10.51s/it]
875it [2:37:13, 10.52s/it]
876it [2:37:24, 10.53s/it]
877it [2:37:34, 10.53s/it]
878it [2:37:45, 10.53s/it]
879it [2:37:55, 10.52s/it]
880it [2:38:06, 10.52s/it]
881it [2:38:16, 10.51s/it]
882it [2:38:27, 10.53s/it]
883it [2:38:37, 10.51s/it]
884it [2:38:48, 10.54s/it]
885it [2:38:58, 10.53s/it]
886it [2:39:09, 10.54s/it]
887it [2:39:19, 10.52s/it]
888it [2:39:30, 10.54s/it]
889it [2:39:41, 10.53s/it]
890it [2:39:51, 10.54s/it]
891it [2:40:02, 10.54s/it]
892it [2:40:12, 10.54s/it]
893it [2:40:23, 10.54s/it]
894it [2:40:33, 10.55s/it]
895it [2:40:44, 10.57s/it]
896it [2:40:54, 10.58s/it]
897it [2:41:05, 10.57s/it]
898it [2:41:16, 10.56s/it]
899it [2:41:26, 10.55s/it]
900it [2:41:37, 10.54s/it]
901it [2:41:47, 10.55s/it]
902it [2:41:58, 10.53s/it]
903it [2:42:08, 10.53s/it]
904it [2:42:19, 10.52s/it]
905it [2:42:29, 10.51s/it]
906it [2:42:40, 10.53s/it]
907it [2:42:50, 10.53s/it]
908it [2:43:01, 10.54s/it]
909it [2:43:11, 10.52s/it]
910it [2:43:22, 10.51s/it]
911it [2:43:32, 10.52s/it]
912it [2:43:43, 10.52s/it]
913it [2:43:53, 10.52s/it]
914it [2:44:04, 10.50s/it]
915it [2:44:14, 10.51s/it]
916it [2:44:25, 10.50s/it]
917it [2:44:35, 10.49s/it]
918it [2:44:46, 10.50s/it]
919it [2:44:56, 10.50s/it]
920it [2:45:07, 10.53s/it]
921it [2:45:17, 10.53s/it]
922it [2:45:28, 10.52s/it]
923it [2:45:39, 10.52s/it]
924it [2:45:49, 10.52s/it]
925it [2:46:00, 10.53s/it]
926it [2:46:10, 10.50s/it]
927it [2:46:21, 10.53s/it]
928it [2:46:31, 10.51s/it]
929it [2:46:42, 10.51s/it]
930it [2:46:52, 10.46s/it]
931it [2:47:02, 10.48s/it]
932it [2:47:13, 10.48s/it]
933it [2:47:23, 10.49s/it]
934it [2:47:34, 10.51s/it]
935it [2:47:45, 10.51s/it]
936it [2:47:55, 10.52s/it]
937it [2:48:06, 10.51s/it]
938it [2:48:16, 10.51s/it]
939it [2:48:27, 10.52s/it]
940it [2:48:37, 10.52s/it]
941it [2:48:48, 10.54s/it]
942it [2:48:58, 10.58s/it]
943it [2:49:09, 10.58s/it]
944it [2:49:19, 10.57s/it]
945it [2:49:30, 10.61s/it]
946it [2:49:41, 10.59s/it]
947it [2:49:51, 10.59s/it]
948it [2:50:02, 10.56s/it]
949it [2:50:12, 10.57s/it]
950it [2:50:23, 10.52s/it]
951it [2:50:33, 10.53s/it]
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]
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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