20241101_peptides_6-12x100M_l-10_n-100000000_slice-13000000-14000000.log

Fri  1 Nov 15:55:12 GMT 2024 > Generating peptides on cn076
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 15:55:12 GMT 2024 > Running /camp/apps/eb/software/Anaconda3/2023.03/bin/python : Python 3.10.10
Fri  1 Nov 15:55:12 GMT 2024 > Using Conda from .
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Fri  1 Nov 15:55:12 GMT 2024 > Seed = 1; length = 10; max. number = 100000000; slice = 13000000 to 14000000; output dir. = 20241101_peptides_6-12x100M
Fri  1 Nov 15:55:12 GMT 2024 > There are 10240000000000 peptides of length 10; generating 100000000 (0.000976563 %)
Fri  1 Nov 15:55:12 GMT 2024 > Saving a slice to 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-13000000-14000000.csv.gz...
+ schemist enumerate --seed 1 --max-length 10 --prefix GY --suffix CGSGSGS --number 9.76563e-06 --slice 13000000 14000000
+ schemist convert --column cysteine_to_N_cyclization --to id inchikey scaffold mwt clogp tpsa --prefix cyclic_ --options prefix=SCB-
+ schemist react --column SMILES --reaction cysteine_to_N_cyclization
+ schemist split --type random --train 0.7 --test 0.15 --column cysteine_to_N_cyclization --seed 1
+ tr '	' ,
+ gzip --best
+ schemist convert --column SMILES --to id inchikey scaffold mwt clogp tpsa --prefix linear_ --options prefix=SCB-
🚀 Splitting table with the following parameters:
	subcommand: split
	output: <_io.TextIOWrapper name='<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 0x7f753c7b74c0>
🚀 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 0x7f5f655839c0>
🚀 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 0x7efbe9edb240>
🚀 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 0x7fdf87187240>
🚀 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: ['13000000', '14000000']
	seed: 1
	prefix: GY
	suffix: CGSGSGS
	type: aa
	d_aa_only: False
	include_d_aa: False
	func: <function _enum at 0x7fae848c3880>
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 [13:31,  1.10it/s]
866it [13:32,  1.10it/s]
867it [13:33,  1.11it/s]
868it [13:34,  1.10it/s]
869it [13:35,  1.11it/s]
870it [13:35,  1.11it/s]
871it [13:36,  1.11it/s]
872it [13:37,  1.11it/s]
873it [13:38,  1.11it/s]
874it [13:39,  1.10it/s]
875it [13:40,  1.11it/s]
876it [13:41,  1.11it/s]
877it [13:42,  1.11it/s]
878it [13:43,  1.09it/s]
879it [13:44,  1.09it/s]
880it [13:45,  1.10it/s]
881it [13:45,  1.10it/s]
882it [13:46,  1.10it/s]
883it [13:47,  1.10it/s]
884it [13:48,  1.10it/s]
885it [13:49,  1.10it/s]
886it [13:50,  1.10it/s]
887it [13:51,  1.10it/s]
888it [13:52,  1.10it/s]
889it [13:53,  1.10it/s]
890it [13:54,  1.10it/s]
891it [13:55,  1.10it/s]
892it [13:55,  1.10it/s]
893it [13:56,  1.11it/s]
894it [13:57,  1.11it/s]
895it [13:58,  1.11it/s]
896it [13:59,  1.11it/s]
897it [14:00,  1.11it/s]
898it [14:01,  1.10it/s]
899it [14:02,  1.10it/s]
900it [14:03,  1.11it/s]
901it [14:04,  1.09it/s]
902it [14:05,  1.10it/s]
903it [14:05,  1.11it/s]
904it [14:06,  1.10it/s]
905it [14:07,  1.11it/s]
906it [14:08,  1.10it/s]
907it [14:09,  1.10it/s]
908it [14:10,  1.10it/s]
909it [14:11,  1.10it/s]
910it [14:12,  1.09it/s]
911it [14:13,  1.10it/s]
912it [14:14,  1.10it/s]
913it [14:15,  1.10it/s]
914it [14:15,  1.10it/s]
915it [14:16,  1.09it/s]
916it [14:17,  1.09it/s]
917it [14:18,  1.09it/s]
918it [14:19,  1.10it/s]
919it [14:20,  1.09it/s]
920it [14:21,  1.08it/s]
921it [14:22,  1.09it/s]
922it [14:23,  1.09it/s]
923it [14:24,  1.09it/s]
924it [14:25,  1.10it/s]
925it [14:25,  1.10it/s]
926it [14:26,  1.10it/s]
927it [14:27,  1.11it/s]
928it [14:28,  1.10it/s]
929it [14:29,  1.10it/s]
930it [14:30,  1.10it/s]
931it [14:31,  1.10it/s]
932it [14:32,  1.10it/s]
933it [14:33,  1.10it/s]
934it [14:34,  1.10it/s]
935it [14:35,  1.10it/s]
936it [14:35,  1.10it/s]
937it [14:36,  1.10it/s]
938it [14:37,  1.11it/s]
939it [14:38,  1.11it/s]
940it [14:39,  1.10it/s]
941it [14:40,  1.10it/s]
942it [14:41,  1.10it/s]
943it [14:42,  1.10it/s]
944it [14:43,  1.09it/s]
945it [14:44,  1.09it/s]
946it [14:45,  1.10it/s]
947it [14:45,  1.10it/s]
948it [14:46,  1.09it/s]
949it [14:47,  1.10it/s]
950it [14:48,  1.10it/s]
951it [14:49,  1.10it/s]
952it [14:50,  1.10it/s]
953it [14:51,  1.10it/s]
954it [14:52,  1.10it/s]
955it [14:53,  1.09it/s]
956it [14:54,  1.09it/s]
957it [14:55,  1.10it/s]
958it [14:56,  1.10it/s]
959it [14:56,  1.10it/s]
960it [14:57,  1.10it/s]
961it [14:58,  1.10it/s]
962it [14:59,  1.10it/s]
963it [15:00,  1.09it/s]
964it [15:01,  1.10it/s]
965it [15:02,  1.10it/s]
966it [15:03,  1.10it/s]
967it [15:04,  1.10it/s]
968it [15:05,  1.10it/s]
969it [15:06,  1.10it/s]
970it [15:06,  1.10it/s]
971it [15:07,  1.10it/s]
972it [15:08,  1.10it/s]
973it [15:09,  1.10it/s]
974it [15:10,  1.10it/s]
975it [15:11,  1.11it/s]
976it [15:12,  1.10it/s]
977it [15:13,  1.10it/s]
978it [15:14,  1.10it/s]
979it [15:15,  1.10it/s]
980it [15:15,  1.10it/s]
981it [15:16,  1.10it/s]
982it [15:17,  1.10it/s]
983it [15:18,  1.10it/s]
984it [15:19,  1.09it/s]
985it [15:20,  1.09it/s]
986it [15:21,  1.09it/s]
987it [15:22,  1.10it/s]
988it [15:23,  1.10it/s]
989it [15:24,  1.10it/s]
990it [15:25,  1.09it/s]
991it [15:26,  1.09it/s]
992it [15:26,  1.10it/s]
993it [15:27,  1.10it/s]
994it [15:28,  1.10it/s]
995it [15:29,  1.10it/s]
996it [15:30,  1.10it/s]
997it [15:31,  1.10it/s]
998it [15:32,  1.10it/s]
999it [15:33,  1.11it/s]
1000it [15:34,  1.11it/s]
1000it [15:34,  1.07it/s]
Enumerated peptides:
	Number of peptides: 1000000
Conversion errors:
	SMILES: 0
⏰ Completed process in 0:15:34.192792

0it [00:00, ?it/s]
1it [00:10, 10.29s/it]
2it [00:20, 10.24s/it]
3it [00:30, 10.25s/it]
4it [00:41, 10.27s/it]
5it [00:51, 10.26s/it]
6it [01:01, 10.27s/it]
7it [01:11, 10.26s/it]
8it [01:22, 10.27s/it]
9it [01:32, 10.24s/it]
10it [01:42, 10.23s/it]
11it [01:52, 10.21s/it]
12it [02:02, 10.20s/it]
13it [02:13, 10.22s/it]
14it [02:23, 10.24s/it]
15it [02:33, 10.22s/it]
16it [02:43, 10.24s/it]
17it [02:54, 10.26s/it]
18it [03:04, 10.26s/it]
19it [03:14, 10.25s/it]
20it [03:24, 10.23s/it]
21it [03:35, 10.26s/it]
22it [03:45, 10.27s/it]
23it [03:55, 10.30s/it]
24it [04:06, 10.32s/it]
25it [04:16, 10.30s/it]
26it [04:26, 10.30s/it]
27it [04:37, 10.29s/it]
28it [04:47, 10.31s/it]
29it [04:57, 10.30s/it]
30it [05:07, 10.29s/it]
31it [05:18, 10.30s/it]
32it [05:28, 10.29s/it]
33it [05:38, 10.29s/it]
34it [05:49, 10.28s/it]
35it [05:59, 10.26s/it]
36it [06:09, 10.28s/it]
37it [06:19, 10.27s/it]
38it [06:30, 10.26s/it]
39it [06:40, 10.28s/it]
40it [06:50, 10.26s/it]
41it [07:00, 10.28s/it]
42it [07:11, 10.29s/it]
43it [07:21, 10.29s/it]
44it [07:31, 10.27s/it]
45it [07:41, 10.25s/it]
46it [07:52, 10.27s/it]
47it [08:02, 10.28s/it]
48it [08:12, 10.28s/it]
49it [08:23, 10.31s/it]
50it [08:33, 10.34s/it]
51it [08:44, 10.35s/it]
52it [08:54, 10.40s/it]
53it [09:04, 10.40s/it]
54it [09:15, 10.43s/it]
55it [09:25, 10.43s/it]
56it [09:36, 10.41s/it]
57it [09:46, 10.39s/it]
58it [09:56, 10.37s/it]
59it [10:07, 10.38s/it]
60it [10:17, 10.37s/it]
61it [10:28, 10.38s/it]
62it [10:38, 10.39s/it]
63it [10:48, 10.39s/it]
64it [10:59, 10.41s/it]
65it [11:09, 10.38s/it]
66it [11:20, 10.39s/it]
67it [11:30, 10.38s/it]
68it [11:40, 10.34s/it]
69it [11:51, 10.34s/it]
70it [12:01, 10.36s/it]
71it [12:11, 10.35s/it]
72it [12:22, 10.38s/it]
73it [12:32, 10.39s/it]
74it [12:43, 10.40s/it]
75it [12:53, 10.43s/it]
76it [13:04, 10.45s/it]
77it [13:14, 10.47s/it]
78it [13:25, 10.55s/it]
79it [13:35, 10.59s/it]
80it [13:46, 10.62s/it]
81it [13:57, 10.65s/it]
82it [14:07, 10.63s/it]
83it [14:18, 10.64s/it]
84it [14:29, 10.62s/it]
85it [14:39, 10.60s/it]
86it [14:50, 10.59s/it]
87it [15:00, 10.56s/it]
88it [15:11, 10.53s/it]
89it [15:21, 10.55s/it]
90it [15:32, 10.55s/it]
91it [15:43, 10.58s/it]
92it [15:53, 10.60s/it]
93it [16:04, 10.59s/it]
94it [16:14, 10.58s/it]
95it [16:25, 10.55s/it]
96it [16:35, 10.57s/it]
97it [16:46, 10.58s/it]
98it [16:57, 10.58s/it]
99it [17:07, 10.59s/it]
100it [17:18, 10.57s/it]
101it [17:28, 10.56s/it]
102it [17:39, 10.51s/it]
103it [17:49, 10.50s/it]
104it [18:00, 10.51s/it]
105it [18:10, 10.52s/it]
106it [18:21, 10.54s/it]
107it [18:31, 10.52s/it]
108it [18:42, 10.50s/it]
109it [18:52, 10.49s/it]
110it [19:03, 10.50s/it]
111it [19:13, 10.51s/it]
112it [19:24, 10.51s/it]
113it [19:34, 10.51s/it]
114it [19:45, 10.51s/it]
115it [19:55, 10.50s/it]
116it [20:06, 10.55s/it]
117it [20:17, 10.56s/it]
118it [20:27, 10.57s/it]
119it [20:38, 10.54s/it]
120it [20:48, 10.52s/it]
121it [20:59, 10.55s/it]
122it [21:09, 10.59s/it]
123it [21:20, 10.61s/it]
124it [21:31, 10.59s/it]
125it [21:41, 10.58s/it]
126it [21:52, 10.56s/it]
127it [22:02, 10.55s/it]
128it [22:13, 10.54s/it]
129it [22:23, 10.56s/it]
130it [22:34, 10.55s/it]
131it [22:44, 10.53s/it]
132it [22:55, 10.53s/it]
133it [23:05, 10.51s/it]
134it [23:16, 10.50s/it]
135it [23:26, 10.51s/it]
136it [23:37, 10.51s/it]
137it [23:47, 10.48s/it]
138it [23:58, 10.47s/it]
139it [24:08, 10.45s/it]
140it [24:19, 10.47s/it]
141it [24:29, 10.49s/it]
142it [24:40, 10.57s/it]
143it [24:50, 10.55s/it]
144it [25:01, 10.51s/it]
145it [25:11, 10.50s/it]
146it [25:22, 10.51s/it]
147it [25:32, 10.49s/it]
148it [25:43, 10.49s/it]
149it [25:53, 10.49s/it]
150it [26:04, 10.49s/it]
151it [26:14, 10.48s/it]
152it [26:25, 10.48s/it]
153it [26:35, 10.47s/it]
154it [26:46, 10.46s/it]
155it [26:56, 10.49s/it]
156it [27:07, 10.48s/it]
157it [27:17, 10.52s/it]
158it [27:28, 10.51s/it]
159it [27:38, 10.49s/it]
160it [27:49, 10.51s/it]
161it [27:59, 10.52s/it]
162it [28:10, 10.55s/it]
163it [28:21, 10.60s/it]
164it [28:31, 10.56s/it]
165it [28:41, 10.53s/it]
166it [28:52, 10.51s/it]
167it [29:02, 10.49s/it]
168it [29:13, 10.46s/it]
169it [29:23, 10.51s/it]
170it [29:34, 10.50s/it]
171it [29:44, 10.52s/it]
172it [29:55, 10.53s/it]
173it [30:06, 10.52s/it]
174it [30:16, 10.55s/it]
175it [30:27, 10.54s/it]
176it [30:37, 10.55s/it]
177it [30:48, 10.55s/it]
178it [30:58, 10.53s/it]
179it [31:09, 10.55s/it]
180it [31:19, 10.57s/it]
181it [31:30, 10.55s/it]
182it [31:40, 10.54s/it]
183it [31:51, 10.51s/it]
184it [32:01, 10.51s/it]
185it [32:12, 10.54s/it]
186it [32:22, 10.52s/it]
187it [32:33, 10.52s/it]
188it [32:43, 10.49s/it]
189it [32:54, 10.48s/it]
190it [33:04, 10.47s/it]
191it [33:15, 10.48s/it]
192it [33:25, 10.50s/it]
193it [33:36, 10.49s/it]
194it [33:46, 10.47s/it]
195it [33:57, 10.47s/it]
196it [34:07, 10.49s/it]
197it [34:18, 10.53s/it]
198it [34:28, 10.50s/it]
199it [34:39, 10.47s/it]
200it [34:49, 10.50s/it]
201it [35:00, 10.52s/it]
202it [35:10, 10.52s/it]
203it [35:21, 10.52s/it]
204it [35:31, 10.50s/it]
205it [35:42, 10.47s/it]
206it [35:52, 10.46s/it]
207it [36:03, 10.50s/it]
208it [36:13, 10.54s/it]
209it [36:24, 10.56s/it]
210it [36:35, 10.57s/it]
211it [36:45, 10.54s/it]
212it [36:56, 10.55s/it]
213it [37:06, 10.54s/it]
214it [37:17, 10.58s/it]
215it [37:28, 10.60s/it]
216it [37:38, 10.60s/it]
217it [37:49, 10.62s/it]
218it [37:59, 10.60s/it]
219it [38:10, 10.60s/it]
220it [38:21, 10.62s/it]
221it [38:31, 10.59s/it]
222it [38:42, 10.59s/it]
223it [38:52, 10.56s/it]
224it [39:03, 10.59s/it]
225it [39:14, 10.62s/it]
226it [39:24, 10.59s/it]
227it [39:35, 10.60s/it]
228it [39:45, 10.56s/it]
229it [39:56, 10.57s/it]
230it [40:06, 10.56s/it]
231it [40:17, 10.59s/it]
232it [40:27, 10.57s/it]
233it [40:38, 10.53s/it]
234it [40:48, 10.54s/it]
235it [40:59, 10.55s/it]
236it [41:10, 10.59s/it]
237it [41:20, 10.62s/it]
238it [41:31, 10.59s/it]
239it [41:42, 10.59s/it]
240it [41:52, 10.61s/it]
241it [42:03, 10.62s/it]
242it [42:14, 10.64s/it]
243it [42:24, 10.63s/it]
244it [42:35, 10.58s/it]
245it [42:45, 10.55s/it]
246it [42:56, 10.53s/it]
247it [43:06, 10.56s/it]
248it [43:17, 10.54s/it]
249it [43:27, 10.52s/it]
250it [43:38, 10.50s/it]
251it [43:48, 10.53s/it]
252it [43:59, 10.55s/it]
253it [44:09, 10.56s/it]
254it [44:20, 10.57s/it]
255it [44:31, 10.57s/it]
256it [44:41, 10.57s/it]
257it [44:52, 10.55s/it]
258it [45:02, 10.52s/it]
259it [45:13, 10.50s/it]
260it [45:23, 10.50s/it]
261it [45:33, 10.49s/it]
262it [45:44, 10.53s/it]
263it [45:55, 10.54s/it]
264it [46:05, 10.52s/it]
265it [46:16, 10.52s/it]
266it [46:26, 10.50s/it]
267it [46:37, 10.54s/it]
268it [46:47, 10.53s/it]
269it [46:58, 10.52s/it]
270it [47:08, 10.52s/it]
271it [47:19, 10.50s/it]
272it [47:29, 10.50s/it]
273it [47:40, 10.52s/it]
274it [47:50, 10.52s/it]
275it [48:01, 10.50s/it]
276it [48:11, 10.50s/it]
277it [48:22, 10.51s/it]
278it [48:32, 10.50s/it]
279it [48:43, 10.52s/it]
280it [48:53, 10.51s/it]
281it [49:04, 10.48s/it]
282it [49:14, 10.47s/it]
283it [49:25, 10.46s/it]
284it [49:35, 10.49s/it]
285it [49:46, 10.52s/it]
286it [49:56, 10.48s/it]
287it [50:07, 10.50s/it]
288it [50:17, 10.46s/it]
289it [50:28, 10.45s/it]
290it [50:38, 10.47s/it]
291it [50:49, 10.47s/it]
292it [50:59, 10.49s/it]
293it [51:09, 10.48s/it]
294it [51:20, 10.48s/it]
295it [51:30, 10.48s/it]
296it [51:41, 10.48s/it]
297it [51:51, 10.48s/it]
298it [52:02, 10.46s/it]
299it [52:12, 10.44s/it]
300it [52:23, 10.44s/it]
301it [52:33, 10.49s/it]
302it [52:44, 10.55s/it]
303it [52:55, 10.61s/it]
304it [53:05, 10.55s/it]
305it [53:16, 10.53s/it]
306it [53:26, 10.52s/it]
307it [53:37, 10.50s/it]
308it [53:47, 10.47s/it]
309it [53:57, 10.47s/it]
310it [54:08, 10.44s/it]
311it [54:18, 10.45s/it]
312it [54:29, 10.48s/it]
313it [54:39, 10.48s/it]
314it [54:50, 10.46s/it]
315it [55:00, 10.46s/it]
316it [55:11, 10.45s/it]
317it [55:21, 10.49s/it]
318it [55:32, 10.50s/it]
319it [55:42, 10.50s/it]
320it [55:53, 10.50s/it]
321it [56:03, 10.48s/it]
322it [56:14, 10.47s/it]
323it [56:24, 10.47s/it]
324it [56:34, 10.47s/it]
325it [56:45, 10.46s/it]
326it [56:55, 10.46s/it]
327it [57:06, 10.47s/it]
328it [57:16, 10.49s/it]
329it [57:27, 10.50s/it]
330it [57:37, 10.49s/it]
331it [57:48, 10.47s/it]
332it [57:58, 10.50s/it]
333it [58:09, 10.52s/it]
334it [58:20, 10.53s/it]
335it [58:30, 10.48s/it]
336it [58:40, 10.46s/it]
337it [58:51, 10.46s/it]
338it [59:01, 10.49s/it]
339it [59:12, 10.51s/it]
340it [59:22, 10.51s/it]
341it [59:33, 10.53s/it]
342it [59:44, 10.53s/it]
343it [59:54, 10.53s/it]
344it [1:00:05, 10.54s/it]
345it [1:00:15, 10.54s/it]
346it [1:00:26, 10.52s/it]
347it [1:00:36, 10.50s/it]
348it [1:00:46, 10.48s/it]
349it [1:00:57, 10.47s/it]
350it [1:01:07, 10.48s/it]
351it [1:01:18, 10.48s/it]
352it [1:01:28, 10.51s/it]
353it [1:01:39, 10.53s/it]
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978it [2:51:04, 10.54s/it]
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980it [2:51:25, 10.48s/it]
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984it [2:52:07, 10.43s/it]
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986it [2:52:28, 10.41s/it]
987it [2:52:38, 10.39s/it]
988it [2:52:48, 10.42s/it]
989it [2:52:59, 10.40s/it]
990it [2:53:09, 10.42s/it]
991it [2:53:20, 10.43s/it]
992it [2:53:30, 10.42s/it]
993it [2:53:41, 10.42s/it]
994it [2:53:51, 10.39s/it]
995it [2:54:01, 10.37s/it]
996it [2:54:12, 10.38s/it]
997it [2:54:22, 10.39s/it]
998it [2:54:32, 10.40s/it]
999it [2:54:43, 10.40s/it]
1000it [2:54:53, 10.37s/it]
1000it [2:54:53, 10.49s/it]
Error counts:
	linear_id: 0
	linear_inchikey: 0
	linear_scaffold: 0
	linear_mwt: 0
	linear_clogp: 0
	linear_tpsa: 0
⏰ Completed process in 3:10:28.960414

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707it [1:40:17,  8.48s/it]
708it [1:40:25,  8.48s/it]
709it [1:40:34,  8.49s/it]
710it [1:40:42,  8.48s/it]
711it [1:40:51,  8.49s/it]
712it [1:40:59,  8.47s/it]
713it [1:41:07,  8.47s/it]
714it [1:41:16,  8.47s/it]
715it [1:41:24,  8.46s/it]
716it [1:41:33,  8.47s/it]
717it [1:41:41,  8.47s/it]
718it [1:41:50,  8.46s/it]
719it [1:41:58,  8.46s/it]
720it [1:42:07,  8.46s/it]
721it [1:42:15,  8.47s/it]
722it [1:42:24,  8.46s/it]
723it [1:42:32,  8.46s/it]
724it [1:42:41,  8.46s/it]
725it [1:42:49,  8.46s/it]
726it [1:42:57,  8.47s/it]
727it [1:43:06,  8.48s/it]
728it [1:43:14,  8.47s/it]
729it [1:43:23,  8.47s/it]
730it [1:43:31,  8.47s/it]
731it [1:43:40,  8.45s/it]
732it [1:43:48,  8.46s/it]
733it [1:43:57,  8.46s/it]
734it [1:44:05,  8.45s/it]
735it [1:44:14,  8.44s/it]
736it [1:44:22,  8.46s/it]
737it [1:44:31,  8.47s/it]
738it [1:44:39,  8.45s/it]
739it [1:44:47,  8.45s/it]
740it [1:44:56,  8.44s/it]
741it [1:45:04,  8.45s/it]
742it [1:45:13,  8.46s/it]
743it [1:45:21,  8.46s/it]
744it [1:45:30,  8.45s/it]
745it [1:45:38,  8.46s/it]
746it [1:45:47,  8.45s/it]
747it [1:45:55,  8.46s/it]
748it [1:46:04,  8.46s/it]
749it [1:46:12,  8.46s/it]
750it [1:46:20,  8.45s/it]
751it [1:46:29,  8.45s/it]
752it [1:46:37,  8.43s/it]
753it [1:46:46,  8.47s/it]
754it [1:46:54,  8.48s/it]
755it [1:47:03,  8.50s/it]
756it [1:47:11,  8.50s/it]
757it [1:47:20,  8.50s/it]
758it [1:47:28,  8.51s/it]
759it [1:47:37,  8.51s/it]
760it [1:47:45,  8.52s/it]
761it [1:47:54,  8.53s/it]
762it [1:48:03,  8.53s/it]
763it [1:48:11,  8.56s/it]
764it [1:48:20,  8.57s/it]
765it [1:48:28,  8.55s/it]
766it [1:48:37,  8.54s/it]
767it [1:48:45,  8.55s/it]
768it [1:48:54,  8.56s/it]
769it [1:49:02,  8.56s/it]
770it [1:49:11,  8.56s/it]
771it [1:49:20,  8.59s/it]
772it [1:49:28,  8.55s/it]
773it [1:49:37,  8.53s/it]
774it [1:49:45,  8.53s/it]
775it [1:49:54,  8.55s/it]
776it [1:50:02,  8.55s/it]
777it [1:50:11,  8.53s/it]
778it [1:50:19,  8.52s/it]
779it [1:50:28,  8.50s/it]
780it [1:50:36,  8.52s/it]
781it [1:50:45,  8.53s/it]
782it [1:50:53,  8.54s/it]
783it [1:51:02,  8.54s/it]
784it [1:51:10,  8.53s/it]
785it [1:51:19,  8.53s/it]
786it [1:51:28,  8.56s/it]
787it [1:51:36,  8.58s/it]
788it [1:51:45,  8.58s/it]
789it [1:51:53,  8.55s/it]
790it [1:52:02,  8.56s/it]
791it [1:52:11,  8.58s/it]
792it [1:52:19,  8.58s/it]
793it [1:52:28,  8.57s/it]
794it [1:52:36,  8.56s/it]
795it [1:52:45,  8.55s/it]
796it [1:52:53,  8.57s/it]
797it [1:53:02,  8.54s/it]
798it [1:53:10,  8.53s/it]
799it [1:53:19,  8.48s/it]
800it [1:53:27,  8.48s/it]
801it [1:53:36,  8.51s/it]
802it [1:53:44,  8.47s/it]
803it [1:53:53,  8.48s/it]
804it [1:54:01,  8.49s/it]
805it [1:54:10,  8.48s/it]
806it [1:54:18,  8.49s/it]
807it [1:54:27,  8.49s/it]
808it [1:54:35,  8.51s/it]
809it [1:54:44,  8.52s/it]
810it [1:54:52,  8.49s/it]
811it [1:55:01,  8.48s/it]
812it [1:55:09,  8.54s/it]
813it [1:55:18,  8.59s/it]
814it [1:55:27,  8.59s/it]
815it [1:55:35,  8.61s/it]
816it [1:55:44,  8.62s/it]
817it [1:55:52,  8.63s/it]
818it [1:56:01,  8.64s/it]
819it [1:56:10,  8.66s/it]
820it [1:56:18,  8.63s/it]
821it [1:56:27,  8.64s/it]
822it [1:56:36,  8.64s/it]
823it [1:56:44,  8.64s/it]
824it [1:56:53,  8.66s/it]
825it [1:57:02,  8.68s/it]
826it [1:57:10,  8.67s/it]
827it [1:57:19,  8.66s/it]
828it [1:57:28,  8.66s/it]
829it [1:57:37,  8.70s/it]
830it [1:57:45,  8.70s/it]
831it [1:57:54,  8.66s/it]
832it [1:58:02,  8.65s/it]
833it [1:58:11,  8.68s/it]
834it [1:58:20,  8.69s/it]
835it [1:58:29,  8.69s/it]
836it [1:58:37,  8.69s/it]
837it [1:58:46,  8.73s/it]
838it [1:58:55,  8.75s/it]
839it [1:59:04,  8.74s/it]
840it [1:59:12,  8.74s/it]
841it [1:59:21,  8.74s/it]
842it [1:59:30,  8.73s/it]
843it [1:59:38,  8.72s/it]
844it [1:59:47,  8.73s/it]
845it [1:59:56,  8.73s/it]
846it [2:00:05,  8.73s/it]
847it [2:00:13,  8.71s/it]
848it [2:00:22,  8.72s/it]
849it [2:00:31,  8.69s/it]
850it [2:00:39,  8.69s/it]
851it [2:00:48,  8.67s/it]
852it [2:00:57,  8.65s/it]
853it [2:01:05,  8.61s/it]
854it [2:01:14,  8.60s/it]
855it [2:01:22,  8.58s/it]
856it [2:01:31,  8.55s/it]
857it [2:01:39,  8.51s/it]
858it [2:01:48,  8.52s/it]
859it [2:01:56,  8.54s/it]
860it [2:02:05,  8.51s/it]
861it [2:02:13,  8.48s/it]
862it [2:02:22,  8.46s/it]
863it [2:02:30,  8.45s/it]
864it [2:02:38,  8.45s/it]
865it [2:02:47,  8.47s/it]
866it [2:02:55,  8.49s/it]
867it [2:03:04,  8.49s/it]
868it [2:03:12,  8.48s/it]
869it [2:03:21,  8.51s/it]
870it [2:03:30,  8.52s/it]
871it [2:03:38,  8.53s/it]
872it [2:03:47,  8.52s/it]
873it [2:03:55,  8.52s/it]
874it [2:04:04,  8.53s/it]
875it [2:04:12,  8.56s/it]
876it [2:04:21,  8.57s/it]
877it [2:04:29,  8.57s/it]
878it [2:04:38,  8.56s/it]
879it [2:04:46,  8.51s/it]
880it [2:04:55,  8.47s/it]
881it [2:05:03,  8.45s/it]
882it [2:05:12,  8.44s/it]
883it [2:05:20,  8.46s/it]
884it [2:05:29,  8.48s/it]
885it [2:05:37,  8.48s/it]
886it [2:05:46,  8.47s/it]
887it [2:05:54,  8.47s/it]
888it [2:06:02,  8.47s/it]
889it [2:06:11,  8.47s/it]
890it [2:06:19,  8.45s/it]
891it [2:06:28,  8.43s/it]
892it [2:06:36,  8.43s/it]
893it [2:06:45,  8.43s/it]
894it [2:06:53,  8.44s/it]
895it [2:07:02,  8.44s/it]
896it [2:07:10,  8.44s/it]
897it [2:07:18,  8.42s/it]
898it [2:07:27,  8.41s/it]
899it [2:07:35,  8.40s/it]
900it [2:07:43,  8.40s/it]
901it [2:07:52,  8.42s/it]
902it [2:08:00,  8.41s/it]
903it [2:08:09,  8.41s/it]
904it [2:08:17,  8.42s/it]
905it [2:08:26,  8.43s/it]
906it [2:08:34,  8.40s/it]
907it [2:08:42,  8.37s/it]
908it [2:08:51,  8.38s/it]
909it [2:08:59,  8.42s/it]
910it [2:09:08,  8.40s/it]
911it [2:09:16,  8.39s/it]
912it [2:09:24,  8.38s/it]
913it [2:09:33,  8.39s/it]
914it [2:09:41,  8.39s/it]
915it [2:09:49,  8.40s/it]
916it [2:09:58,  8.39s/it]
917it [2:10:06,  8.38s/it]
918it [2:10:15,  8.39s/it]
919it [2:10:23,  8.40s/it]
920it [2:10:31,  8.38s/it]
921it [2:10:40,  8.39s/it]
922it [2:10:48,  8.41s/it]
923it [2:10:57,  8.40s/it]
924it [2:11:05,  8.38s/it]
925it [2:11:13,  8.40s/it]
926it [2:11:22,  8.37s/it]
927it [2:11:30,  8.38s/it]
928it [2:11:38,  8.38s/it]
929it [2:11:47,  8.39s/it]
930it [2:11:55,  8.40s/it]
931it [2:12:04,  8.39s/it]
932it [2:12:12,  8.38s/it]
933it [2:12:20,  8.39s/it]
934it [2:12:29,  8.41s/it]
935it [2:12:37,  8.41s/it]
936it [2:12:46,  8.37s/it]
937it [2:12:54,  8.40s/it]
938it [2:13:02,  8.40s/it]
939it [2:13:11,  8.39s/it]
940it [2:13:19,  8.40s/it]
941it [2:13:28,  8.43s/it]
942it [2:13:36,  8.42s/it]
943it [2:13:45,  8.44s/it]
944it [2:13:53,  8.45s/it]
945it [2:14:02,  8.44s/it]
946it [2:14:10,  8.44s/it]
947it [2:14:18,  8.44s/it]
948it [2:14:27,  8.44s/it]
949it [2:14:35,  8.42s/it]
950it [2:14:44,  8.41s/it]
951it [2:14:52,  8.41s/it]
952it [2:15:00,  8.41s/it]
953it [2:15:09,  8.42s/it]
954it [2:15:17,  8.43s/it]
955it [2:15:26,  8.41s/it]
956it [2:15:34,  8.41s/it]
957it [2:15:42,  8.41s/it]
958it [2:15:51,  8.41s/it]
959it [2:15:59,  8.41s/it]
960it [2:16:08,  8.41s/it]
961it [2:16:16,  8.40s/it]
962it [2:16:24,  8.41s/it]
963it [2:16:33,  8.42s/it]
964it [2:16:41,  8.41s/it]
965it [2:16:50,  8.41s/it]
966it [2:16:58,  8.42s/it]
967it [2:17:07,  8.41s/it]
968it [2:17:15,  8.40s/it]
969it [2:17:23,  8.42s/it]
970it [2:17:32,  8.44s/it]
971it [2:17:40,  8.43s/it]
972it [2:17:49,  8.43s/it]
973it [2:17:57,  8.45s/it]
974it [2:18:06,  8.46s/it]
975it [2:18:14,  8.44s/it]
976it [2:18:23,  8.44s/it]
977it [2:18:31,  8.46s/it]
978it [2:18:39,  8.45s/it]
979it [2:18:48,  8.44s/it]
980it [2:18:56,  8.43s/it]
981it [2:19:05,  8.43s/it]
982it [2:19:13,  8.43s/it]
983it [2:19:22,  8.42s/it]
984it [2:19:30,  8.40s/it]
985it [2:19:38,  8.41s/it]
986it [2:19:47,  8.41s/it]
987it [2:19:55,  8.40s/it]
988it [2:20:04,  8.39s/it]
989it [2:20:12,  8.40s/it]
990it [2:20:20,  8.40s/it]
991it [2:20:29,  8.40s/it]
992it [2:20:37,  8.38s/it]
993it [2:20:46,  8.40s/it]
994it [2:20:54,  8.38s/it]
995it [2:21:02,  8.38s/it]
996it [2:21:11,  8.36s/it]
997it [2:21:19,  8.36s/it]
998it [2:21:27,  8.37s/it]
999it [2:21:36,  8.38s/it]
1000it [2:21:44,  8.37s/it]
1000it [2:21:44,  8.50s/it]
Error counts:
	cysteine_to_N_cyclization: 0
⏰ Completed process in 5:32:14.236848

0it [00:00, ?it/s]
1it [00:10, 10.61s/it]
2it [00:21, 10.53s/it]
3it [00:31, 10.53s/it]
4it [00:42, 10.52s/it]
5it [00:52, 10.51s/it]
6it [01:03, 10.54s/it]
7it [01:13, 10.54s/it]
8it [01:24, 10.54s/it]
9it [01:34, 10.54s/it]
10it [01:45, 10.54s/it]
11it [01:55, 10.51s/it]
12it [02:06, 10.51s/it]
13it [02:16, 10.51s/it]
14it [02:27, 10.54s/it]
15it [02:38, 10.56s/it]
16it [02:48, 10.57s/it]
17it [02:59, 10.59s/it]
18it [03:09, 10.58s/it]
19it [03:20, 10.54s/it]
20it [03:30, 10.55s/it]
21it [03:41, 10.58s/it]
22it [03:52, 10.58s/it]
23it [04:02, 10.61s/it]
24it [04:13, 10.63s/it]
25it [04:24, 10.62s/it]
26it [04:34, 10.63s/it]
27it [04:45, 10.62s/it]
28it [04:55, 10.65s/it]
29it [05:06, 10.61s/it]
30it [05:17, 10.59s/it]
31it [05:27, 10.61s/it]
32it [05:38, 10.62s/it]
33it [05:48, 10.61s/it]
34it [05:59, 10.62s/it]
35it [06:10, 10.62s/it]
36it [06:20, 10.65s/it]
37it [06:31, 10.66s/it]
38it [06:42, 10.65s/it]
39it [06:52, 10.64s/it]
40it [07:03, 10.62s/it]
41it [07:14, 10.63s/it]
42it [07:24, 10.62s/it]
43it [07:35, 10.64s/it]
44it [07:45, 10.63s/it]
45it [07:56, 10.62s/it]
46it [08:07, 10.64s/it]
47it [08:17, 10.64s/it]
48it [08:28, 10.64s/it]
49it [08:39, 10.64s/it]
50it [08:49, 10.63s/it]
51it [09:00, 10.61s/it]
52it [09:10, 10.62s/it]
53it [09:21, 10.62s/it]
54it [09:32, 10.62s/it]
55it [09:42, 10.62s/it]
56it [09:53, 10.62s/it]
57it [10:04, 10.60s/it]
58it [10:14, 10.59s/it]
59it [10:25, 10.61s/it]
60it [10:35, 10.60s/it]
61it [10:46, 10.63s/it]
62it [10:57, 10.64s/it]
63it [11:07, 10.68s/it]
64it [11:18, 10.68s/it]
65it [11:29, 10.69s/it]
66it [11:40, 10.71s/it]
67it [11:50, 10.72s/it]
68it [12:01, 10.71s/it]
69it [12:12, 10.69s/it]
70it [12:22, 10.70s/it]
71it [12:33, 10.69s/it]
72it [12:44, 10.72s/it]
73it [12:55, 10.71s/it]
74it [13:05, 10.72s/it]
75it [13:16, 10.73s/it]
76it [13:27, 10.73s/it]
77it [13:38, 10.82s/it]
78it [13:49, 10.86s/it]
79it [14:00, 10.90s/it]
80it [14:11, 10.91s/it]
81it [14:22, 10.90s/it]
82it [14:32, 10.90s/it]
83it [14:43, 10.91s/it]
84it [14:54, 10.90s/it]
85it [15:05, 10.91s/it]
86it [15:16, 10.90s/it]
87it [15:27, 10.87s/it]
88it [15:38, 10.86s/it]
89it [15:49, 10.87s/it]
90it [16:00, 10.87s/it]
91it [16:10, 10.88s/it]
92it [16:21, 10.87s/it]
93it [16:32, 10.86s/it]
94it [16:43, 10.87s/it]
95it [16:54, 10.87s/it]
96it [17:05, 10.85s/it]
97it [17:16, 10.86s/it]
98it [17:26, 10.88s/it]
99it [17:37, 10.87s/it]
100it [17:48, 10.88s/it]
101it [17:59, 10.88s/it]
102it [18:10, 10.84s/it]
103it [18:21, 10.82s/it]
104it [18:31, 10.84s/it]
105it [18:42, 10.82s/it]
106it [18:53, 10.80s/it]
107it [19:04, 10.83s/it]
108it [19:15, 10.80s/it]
109it [19:26, 10.82s/it]
110it [19:36, 10.83s/it]
111it [19:47, 10.81s/it]
112it [19:58, 10.81s/it]
113it [20:09, 10.81s/it]
114it [20:20, 10.79s/it]
115it [20:30, 10.80s/it]
116it [20:41, 10.81s/it]
117it [20:52, 10.78s/it]
118it [21:03, 10.74s/it]
119it [21:13, 10.70s/it]
120it [21:24, 10.68s/it]
121it [21:34, 10.69s/it]
122it [21:45, 10.65s/it]
123it [21:56, 10.64s/it]
124it [22:06, 10.65s/it]
125it [22:17, 10.66s/it]
126it [22:28, 10.66s/it]
127it [22:38, 10.65s/it]
128it [22:49, 10.63s/it]
129it [22:59, 10.62s/it]
130it [23:10, 10.62s/it]
131it [23:21, 10.63s/it]
132it [23:32, 10.67s/it]
133it [23:42, 10.71s/it]
134it [23:53, 10.73s/it]
135it [24:04, 10.77s/it]
136it [24:15, 10.79s/it]
137it [24:26, 10.77s/it]
138it [24:36, 10.79s/it]
139it [24:47, 10.79s/it]
140it [24:58, 10.78s/it]
141it [25:09, 10.79s/it]
142it [25:20, 10.82s/it]
143it [25:30, 10.79s/it]
144it [25:41, 10.78s/it]
145it [25:52, 10.76s/it]
146it [26:03, 10.77s/it]
147it [26:13, 10.78s/it]
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623it [1:50:46, 10.56s/it]
624it [1:50:56, 10.55s/it]
625it [1:51:07, 10.56s/it]
626it [1:51:17, 10.57s/it]
627it [1:51:28, 10.55s/it]
628it [1:51:38, 10.55s/it]
629it [1:51:49, 10.54s/it]
630it [1:51:59, 10.55s/it]
631it [1:52:10, 10.55s/it]
632it [1:52:20, 10.56s/it]
633it [1:52:31, 10.56s/it]
634it [1:52:42, 10.56s/it]
635it [1:52:52, 10.57s/it]
636it [1:53:03, 10.58s/it]
637it [1:53:13, 10.59s/it]
638it [1:53:24, 10.58s/it]
639it [1:53:35, 10.59s/it]
640it [1:53:45, 10.56s/it]
641it [1:53:56, 10.55s/it]
642it [1:54:06, 10.55s/it]
643it [1:54:17, 10.55s/it]
644it [1:54:27, 10.55s/it]
645it [1:54:38, 10.54s/it]
646it [1:54:48, 10.53s/it]
647it [1:54:59, 10.53s/it]
648it [1:55:09, 10.54s/it]
649it [1:55:20, 10.54s/it]
650it [1:55:30, 10.52s/it]
651it [1:55:41, 10.51s/it]
652it [1:55:51, 10.51s/it]
653it [1:56:02, 10.50s/it]
654it [1:56:12, 10.49s/it]
655it [1:56:23, 10.46s/it]
656it [1:56:33, 10.48s/it]
657it [1:56:44, 10.50s/it]
658it [1:56:54, 10.51s/it]
659it [1:57:05, 10.53s/it]
660it [1:57:15, 10.54s/it]
661it [1:57:26, 10.54s/it]
662it [1:57:37, 10.53s/it]
663it [1:57:47, 10.53s/it]
664it [1:57:58, 10.51s/it]
665it [1:58:08, 10.52s/it]
666it [1:58:19, 10.52s/it]
667it [1:58:29, 10.52s/it]
668it [1:58:40, 10.53s/it]
669it [1:58:50, 10.53s/it]
670it [1:59:01, 10.54s/it]
671it [1:59:11, 10.55s/it]
672it [1:59:22, 10.54s/it]
673it [1:59:32, 10.56s/it]
674it [1:59:43, 10.57s/it]
675it [1:59:54, 10.57s/it]
676it [2:00:04, 10.56s/it]
677it [2:00:15, 10.56s/it]
678it [2:00:25, 10.55s/it]
679it [2:00:36, 10.55s/it]
680it [2:00:46, 10.56s/it]
681it [2:00:57, 10.56s/it]
682it [2:01:08, 10.57s/it]
683it [2:01:18, 10.56s/it]
684it [2:01:29, 10.55s/it]
685it [2:01:39, 10.58s/it]
686it [2:01:50, 10.58s/it]
687it [2:02:00, 10.58s/it]
688it [2:02:11, 10.57s/it]
689it [2:02:22, 10.57s/it]
690it [2:02:32, 10.56s/it]
691it [2:02:43, 10.55s/it]
692it [2:02:53, 10.53s/it]
693it [2:03:04, 10.56s/it]
694it [2:03:14, 10.55s/it]
695it [2:03:25, 10.54s/it]
696it [2:03:35, 10.56s/it]
697it [2:03:46, 10.53s/it]
698it [2:03:56, 10.52s/it]
699it [2:04:07, 10.53s/it]
700it [2:04:17, 10.53s/it]
701it [2:04:28, 10.53s/it]
702it [2:04:38, 10.52s/it]
703it [2:04:49, 10.53s/it]
704it [2:05:00, 10.54s/it]
705it [2:05:10, 10.54s/it]
706it [2:05:21, 10.54s/it]
707it [2:05:31, 10.55s/it]
708it [2:05:42, 10.55s/it]
709it [2:05:52, 10.54s/it]
710it [2:06:03, 10.55s/it]
711it [2:06:13, 10.54s/it]
712it [2:06:24, 10.50s/it]
713it [2:06:34, 10.51s/it]
714it [2:06:45, 10.50s/it]
715it [2:06:55, 10.49s/it]
716it [2:07:06, 10.50s/it]
717it [2:07:16, 10.50s/it]
718it [2:07:27, 10.49s/it]
719it [2:07:37, 10.51s/it]
720it [2:07:48, 10.49s/it]
721it [2:07:58, 10.49s/it]
722it [2:08:09, 10.49s/it]
723it [2:08:19, 10.47s/it]
724it [2:08:30, 10.47s/it]
725it [2:08:40, 10.47s/it]
726it [2:08:51, 10.47s/it]
727it [2:09:01, 10.50s/it]
728it [2:09:12, 10.48s/it]
729it [2:09:22, 10.49s/it]
730it [2:09:33, 10.50s/it]
731it [2:09:43, 10.50s/it]
732it [2:09:54, 10.50s/it]
733it [2:10:04, 10.50s/it]
734it [2:10:15, 10.50s/it]
735it [2:10:25, 10.49s/it]
736it [2:10:36, 10.50s/it]
737it [2:10:46, 10.51s/it]
738it [2:10:57, 10.50s/it]
739it [2:11:07, 10.50s/it]
740it [2:11:18, 10.49s/it]
741it [2:11:28, 10.51s/it]
742it [2:11:39, 10.50s/it]
743it [2:11:49, 10.49s/it]
744it [2:12:00, 10.49s/it]
745it [2:12:10, 10.48s/it]
746it [2:12:20, 10.47s/it]
747it [2:12:31, 10.47s/it]
748it [2:12:41, 10.46s/it]
749it [2:12:52, 10.46s/it]
750it [2:13:02, 10.44s/it]
751it [2:13:13, 10.43s/it]
752it [2:13:23, 10.44s/it]
753it [2:13:33, 10.43s/it]
754it [2:13:44, 10.41s/it]
755it [2:13:54, 10.40s/it]
756it [2:14:05, 10.36s/it]
757it [2:14:15, 10.36s/it]
758it [2:14:25, 10.35s/it]
759it [2:14:36, 10.35s/it]
760it [2:14:46, 10.33s/it]
761it [2:14:56, 10.33s/it]
762it [2:15:06, 10.30s/it]
763it [2:15:17, 10.30s/it]
764it [2:15:27, 10.31s/it]
765it [2:15:37, 10.30s/it]
766it [2:15:48, 10.30s/it]
767it [2:15:58, 10.30s/it]
768it [2:16:08, 10.28s/it]
769it [2:16:18, 10.31s/it]
770it [2:16:29, 10.31s/it]
771it [2:16:39, 10.33s/it]
772it [2:16:49, 10.31s/it]
773it [2:17:00, 10.30s/it]
774it [2:17:10, 10.30s/it]
775it [2:17:20, 10.31s/it]
776it [2:17:31, 10.31s/it]
777it [2:17:41, 10.31s/it]
778it [2:17:51, 10.30s/it]
779it [2:18:02, 10.29s/it]
780it [2:18:12, 10.30s/it]
781it [2:18:22, 10.30s/it]
782it [2:18:32, 10.31s/it]
783it [2:18:43, 10.30s/it]
784it [2:18:53, 10.30s/it]
785it [2:19:03, 10.29s/it]
786it [2:19:14, 10.29s/it]
787it [2:19:24, 10.29s/it]
788it [2:19:34, 10.30s/it]
789it [2:19:45, 10.29s/it]
790it [2:19:55, 10.30s/it]
791it [2:20:05, 10.32s/it]
792it [2:20:16, 10.34s/it]
793it [2:20:26, 10.32s/it]
794it [2:20:36, 10.31s/it]
795it [2:20:46, 10.31s/it]
796it [2:20:57, 10.32s/it]
797it [2:21:07, 10.32s/it]
798it [2:21:17, 10.32s/it]
799it [2:21:28, 10.31s/it]
800it [2:21:38, 10.31s/it]
801it [2:21:48, 10.32s/it]
802it [2:21:59, 10.30s/it]
803it [2:22:09, 10.31s/it]
804it [2:22:19, 10.31s/it]
805it [2:22:30, 10.31s/it]
806it [2:22:40, 10.31s/it]
807it [2:22:50, 10.32s/it]
808it [2:23:01, 10.32s/it]
809it [2:23:11, 10.32s/it]
810it [2:23:21, 10.32s/it]
811it [2:23:32, 10.32s/it]
812it [2:23:42, 10.33s/it]
813it [2:23:52, 10.32s/it]
814it [2:24:02, 10.31s/it]
815it [2:24:13, 10.31s/it]
816it [2:24:23, 10.29s/it]
817it [2:24:33, 10.28s/it]
818it [2:24:44, 10.27s/it]
819it [2:24:54, 10.29s/it]
820it [2:25:04, 10.28s/it]
821it [2:25:14, 10.29s/it]
822it [2:25:25, 10.28s/it]
823it [2:25:35, 10.30s/it]
824it [2:25:45, 10.30s/it]
825it [2:25:56, 10.30s/it]
826it [2:26:06, 10.30s/it]
827it [2:26:16, 10.31s/it]
828it [2:26:27, 10.30s/it]
829it [2:26:37, 10.33s/it]
830it [2:26:47, 10.32s/it]
831it [2:26:58, 10.33s/it]
832it [2:27:08, 10.30s/it]
833it [2:27:18, 10.31s/it]
834it [2:27:28, 10.31s/it]
835it [2:27:39, 10.30s/it]
836it [2:27:49, 10.28s/it]
837it [2:27:59, 10.28s/it]
838it [2:28:10, 10.29s/it]
839it [2:28:20, 10.30s/it]
840it [2:28:30, 10.30s/it]
841it [2:28:40, 10.28s/it]
842it [2:28:51, 10.30s/it]
843it [2:29:01, 10.31s/it]
844it [2:29:11, 10.31s/it]
845it [2:29:22, 10.31s/it]
846it [2:29:32, 10.31s/it]
847it [2:29:42, 10.31s/it]
848it [2:29:53, 10.29s/it]
849it [2:30:03, 10.29s/it]
850it [2:30:13, 10.28s/it]
851it [2:30:23, 10.29s/it]
852it [2:30:34, 10.29s/it]
853it [2:30:44, 10.29s/it]
854it [2:30:54, 10.28s/it]
855it [2:31:05, 10.29s/it]
856it [2:31:15, 10.28s/it]
857it [2:31:25, 10.26s/it]
858it [2:31:35, 10.28s/it]
859it [2:31:46, 10.27s/it]
860it [2:31:56, 10.28s/it]
861it [2:32:06, 10.27s/it]
862it [2:32:16, 10.27s/it]
863it [2:32:27, 10.26s/it]
864it [2:32:37, 10.28s/it]
865it [2:32:47, 10.29s/it]
866it [2:32:58, 10.29s/it]
867it [2:33:08, 10.28s/it]
868it [2:33:18, 10.27s/it]
869it [2:33:28, 10.27s/it]
870it [2:33:39, 10.25s/it]
871it [2:33:49, 10.26s/it]
872it [2:33:59, 10.28s/it]
873it [2:34:09, 10.27s/it]
874it [2:34:20, 10.26s/it]
875it [2:34:30, 10.26s/it]
876it [2:34:40, 10.29s/it]
877it [2:34:51, 10.30s/it]
878it [2:35:01, 10.29s/it]
879it [2:35:11, 10.30s/it]
880it [2:35:22, 10.29s/it]
881it [2:35:32, 10.29s/it]
882it [2:35:42, 10.30s/it]
883it [2:35:52, 10.29s/it]
884it [2:36:03, 10.31s/it]
885it [2:36:13, 10.32s/it]
886it [2:36:23, 10.33s/it]
887it [2:36:34, 10.33s/it]
888it [2:36:44, 10.34s/it]
889it [2:36:55, 10.35s/it]
890it [2:37:05, 10.34s/it]
891it [2:37:15, 10.34s/it]
892it [2:37:25, 10.30s/it]
893it [2:37:36, 10.26s/it]
894it [2:37:46, 10.28s/it]
895it [2:37:56, 10.29s/it]
896it [2:38:06, 10.29s/it]
897it [2:38:17, 10.29s/it]
898it [2:38:27, 10.29s/it]
899it [2:38:37, 10.30s/it]
900it [2:38:48, 10.29s/it]
901it [2:38:58, 10.30s/it]
902it [2:39:08, 10.27s/it]
903it [2:39:19, 10.29s/it]
904it [2:39:29, 10.31s/it]
905it [2:39:39, 10.31s/it]
906it [2:39:49, 10.28s/it]
907it [2:40:00, 10.27s/it]
908it [2:40:10, 10.28s/it]
909it [2:40:20, 10.30s/it]
910it [2:40:31, 10.29s/it]
911it [2:40:41, 10.29s/it]
912it [2:40:51, 10.29s/it]
913it [2:41:01, 10.29s/it]
914it [2:41:12, 10.28s/it]
915it [2:41:22, 10.29s/it]
916it [2:41:32, 10.26s/it]
917it [2:41:42, 10.26s/it]
918it [2:41:53, 10.28s/it]
919it [2:42:03, 10.28s/it]
920it [2:42:13, 10.28s/it]
921it [2:42:24, 10.27s/it]
922it [2:42:34, 10.28s/it]
923it [2:42:44, 10.29s/it]
924it [2:42:54, 10.28s/it]
925it [2:43:05, 10.29s/it]
926it [2:43:15, 10.29s/it]
927it [2:43:25, 10.28s/it]
928it [2:43:36, 10.28s/it]
929it [2:43:46, 10.28s/it]
930it [2:43:56, 10.29s/it]
931it [2:44:06, 10.27s/it]
932it [2:44:17, 10.26s/it]
933it [2:44:27, 10.28s/it]
934it [2:44:37, 10.29s/it]
935it [2:44:48, 10.29s/it]
936it [2:44:58, 10.28s/it]
937it [2:45:08, 10.27s/it]
938it [2:45:18, 10.29s/it]
939it [2:45:29, 10.29s/it]
940it [2:45:39, 10.28s/it]
941it [2:45:49, 10.28s/it]
942it [2:45:59, 10.27s/it]
943it [2:46:10, 10.29s/it]
944it [2:46:20, 10.30s/it]
945it [2:46:30, 10.28s/it]
946it [2:46:41, 10.28s/it]
947it [2:46:51, 10.28s/it]
948it [2:47:01, 10.29s/it]
949it [2:47:12, 10.28s/it]
950it [2:47:22, 10.27s/it]
951it [2:47:32, 10.27s/it]
952it [2:47:42, 10.28s/it]
953it [2:47:53, 10.30s/it]
954it [2:48:03, 10.31s/it]
955it [2:48:13, 10.31s/it]
956it [2:48:24, 10.29s/it]
957it [2:48:34, 10.29s/it]
958it [2:48:44, 10.29s/it]
959it [2:48:54, 10.30s/it]
960it [2:49:05, 10.31s/it]
961it [2:49:15, 10.30s/it]
962it [2:49:25, 10.32s/it]
963it [2:49:36, 10.32s/it]
964it [2:49:46, 10.31s/it]
965it [2:49:56, 10.30s/it]
966it [2:50:07, 10.32s/it]
967it [2:50:17, 10.31s/it]
968it [2:50:27, 10.30s/it]
969it [2:50:37, 10.27s/it]
970it [2:50:48, 10.29s/it]
971it [2:50:58, 10.30s/it]
972it [2:51:08, 10.28s/it]
973it [2:51:19, 10.28s/it]
974it [2:51:29, 10.29s/it]
975it [2:51:39, 10.27s/it]
976it [2:51:49, 10.28s/it]
977it [2:52:00, 10.28s/it]
978it [2:52:10, 10.28s/it]
979it [2:52:20, 10.27s/it]
980it [2:52:31, 10.26s/it]
981it [2:52:41, 10.26s/it]
982it [2:52:51, 10.26s/it]
983it [2:53:01, 10.26s/it]
984it [2:53:12, 10.26s/it]
985it [2:53:22, 10.26s/it]
986it [2:53:32, 10.24s/it]
987it [2:53:42, 10.24s/it]
988it [2:53:52, 10.25s/it]
989it [2:54:03, 10.24s/it]
990it [2:54:13, 10.27s/it]
991it [2:54:23, 10.26s/it]
992it [2:54:34, 10.25s/it]
993it [2:54:44, 10.28s/it]
994it [2:54:54, 10.25s/it]
995it [2:55:04, 10.25s/it]
996it [2:55:15, 10.24s/it]
997it [2:55:25, 10.25s/it]
998it [2:55:35, 10.26s/it]
999it [2:55:45, 10.26s/it]
1000it [2:55:56, 10.25s/it]
1000it [2:55:56, 10.56s/it]
Error counts:
	cyclic_id: 0
	cyclic_inchikey: 0
	cyclic_scaffold: 0
	cyclic_mwt: 0
	cyclic_clogp: 0
	cyclic_tpsa: 0
⏰ Completed process in 8:28:11.276382

0it [00:00, ?it/s]
1it [00:00,  5.52it/s]
2it [00:00,  7.29it/s]
3it [00:00,  8.22it/s]
4it [00:00,  8.73it/s]
5it [00:00,  9.04it/s]
6it [00:00,  9.19it/s]
7it [00:00,  9.31it/s]
8it [00:00,  9.41it/s]
9it [00:01,  9.50it/s]
10it [00:01,  9.53it/s]
11it [00:01,  9.54it/s]
12it [00:01,  9.55it/s]
13it [00:01,  9.59it/s]
14it [00:01,  9.59it/s]
15it [00:01,  9.57it/s]
16it [00:01,  9.58it/s]
17it [00:01,  9.58it/s]
18it [00:01,  9.61it/s]
19it [00:02,  9.57it/s]
20it [00:02,  9.60it/s]
21it [00:02,  9.58it/s]
22it [00:02,  9.62it/s]
23it [00:02,  9.65it/s]
24it [00:02,  9.62it/s]
25it [00:02,  9.58it/s]
26it [00:02,  9.58it/s]
27it [00:02,  9.59it/s]
28it [00:02,  9.61it/s]
29it [00:03,  9.58it/s]
30it [00:03,  9.58it/s]
31it [00:03,  9.59it/s]
32it [00:03,  9.62it/s]
33it [00:03,  9.60it/s]
34it [00:03,  9.60it/s]
35it [00:03,  9.60it/s]
36it [00:03,  9.54it/s]
37it [00:03,  9.54it/s]
38it [00:04,  9.58it/s]
39it [00:04,  9.58it/s]
40it [00:04,  9.61it/s]
41it [00:04,  9.62it/s]
42it [00:04,  9.65it/s]
43it [00:04,  9.61it/s]
44it [00:04,  9.61it/s]
45it [00:04,  9.60it/s]
46it [00:04,  9.56it/s]
47it [00:04,  9.58it/s]
48it [00:05,  9.61it/s]
49it [00:05,  9.64it/s]
50it [00:05,  9.62it/s]
51it [00:05,  9.63it/s]
52it [00:05,  9.61it/s]
53it [00:05,  9.60it/s]
54it [00:05,  9.58it/s]
55it [00:05,  9.59it/s]
56it [00:05,  9.59it/s]
57it [00:06,  9.58it/s]
58it [00:06,  9.58it/s]
59it [00:06,  9.57it/s]
60it [00:06,  9.60it/s]
61it [00:06,  9.57it/s]
62it [00:06,  9.59it/s]
63it [00:06,  9.61it/s]
64it [00:06,  9.58it/s]
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Split counts:
	train: 674000
	test: 164000
	validation: 162000
⏰ Completed process in 8:29:57.353395
++ date
+ echo 'Sat  2 Nov 00:25:23 GMT 2024 :: 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-13000000-14000000.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-13000000-14000000.csv.gz
+ split_dir=20241101_peptides_6-12x100M/train
++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-13000000-14000000.csv.gz .csv.gz
+ split_file=20241101_peptides_6-12x100M/train/peptides_length-10_n-100000000_slice-13000000-14000000.csv.gz
+ mkdir -p 20241101_peptides_6-12x100M/train
++ date
+ echo 'Sat  2 Nov 00:25:23 GMT 2024 :: Saving train...'
Sat  2 Nov 00:25:23 GMT 2024 :: Saving train...
+ zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-13000000-14000000.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 00:26:20 GMT 2024 :: 20241101_peptides_6-12x100M/train/peptides_length-10_n-100000000_slice-13000000-14000000.csv.gz'
+ for split in train test validation
++ dirname 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-13000000-14000000.csv.gz
+ split_dir=20241101_peptides_6-12x100M/test
++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-13000000-14000000.csv.gz .csv.gz
+ split_file=20241101_peptides_6-12x100M/test/peptides_length-10_n-100000000_slice-13000000-14000000.csv.gz
+ mkdir -p 20241101_peptides_6-12x100M/test
++ date
+ echo 'Sat  2 Nov 00:26:20 GMT 2024 :: Saving test...'
Sat  2 Nov 00:26:20 GMT 2024 :: Saving test...
+ zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-13000000-14000000.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 00:26:45 GMT 2024 :: 20241101_peptides_6-12x100M/test/peptides_length-10_n-100000000_slice-13000000-14000000.csv.gz'
+ for split in train test validation
++ dirname 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-13000000-14000000.csv.gz
+ split_dir=20241101_peptides_6-12x100M/validation
++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-13000000-14000000.csv.gz .csv.gz
+ split_file=20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-13000000-14000000.csv.gz
+ mkdir -p 20241101_peptides_6-12x100M/validation
++ date
+ echo 'Sat  2 Nov 00:26:45 GMT 2024 :: Saving validation...'
Sat  2 Nov 00:26:45 GMT 2024 :: Saving validation...
+ zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-13000000-14000000.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 00:27:10 GMT 2024 :: 20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-13000000-14000000.csv.gz'
+ '[' -e 20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-13000000-14000000.csv.gz.success ']'
+ rm 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-13000000-14000000.csv.gz 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-13000000-14000000.csv.gz.success
+ set +x
Sat  2 Nov 00:27:10 GMT 2024 > Peptide generation complete