20241101_peptides_6-12x100M_l-10_n-100000000_slice-16000000-17000000.log

Fri  1 Nov 15:55:40 GMT 2024 > Generating peptides on cn094
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 15:55:40 GMT 2024 > Running /camp/apps/eb/software/Anaconda3/2023.03/bin/python : Python 3.10.10
Fri  1 Nov 15:55:41 GMT 2024 > Using Conda from .
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Fri  1 Nov 15:55:41 GMT 2024 > Seed = 1; length = 10; max. number = 100000000; slice = 16000000 to 17000000; output dir. = 20241101_peptides_6-12x100M
Fri  1 Nov 15:55:41 GMT 2024 > There are 10240000000000 peptides of length 10; generating 100000000 (0.000976563 %)
Fri  1 Nov 15:55:41 GMT 2024 > Saving a slice to 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-16000000-17000000.csv.gz...
+ schemist enumerate --seed 1 --max-length 10 --prefix GY --suffix CGSGSGS --number 9.76563e-06 --slice 16000000 17000000
+ 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
+ gzip --best
+ tr '	' ,
+ 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: SMILES
	prefix: linear_
	to: ['id', 'inchikey', 'scaffold', 'mwt', 'clogp', 'tpsa']
	options: ['prefix=SCB-']
	func: <function _convert at 0x7f49b85fb240>
🚀 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: ['16000000', '17000000']
	seed: 1
	prefix: GY
	suffix: CGSGSGS
	type: aa
	d_aa_only: False
	include_d_aa: False
	func: <function _enum at 0x7f49022e3880>
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. 
🚀 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 0x7f3b58c5f240>
🚀 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 0x7fe6071274c0>
🚀 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 0x7fd5755a39c0>

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865it [14:01,  1.07it/s]
866it [14:02,  1.07it/s]
867it [14:03,  1.08it/s]
868it [14:04,  1.07it/s]
869it [14:05,  1.06it/s]
870it [14:06,  1.04it/s]
871it [14:07,  1.05it/s]
872it [14:08,  1.05it/s]
873it [14:09,  1.04it/s]
874it [14:10,  1.03it/s]
875it [14:11,  1.02it/s]
876it [14:12,  1.02it/s]
877it [14:13,  1.01it/s]
878it [14:14,  1.01it/s]
879it [14:15,  1.01it/s]
880it [14:16,  1.01it/s]
881it [14:17,  1.01it/s]
882it [14:18,  1.01it/s]
883it [14:19,  1.02it/s]
884it [14:20,  1.01it/s]
885it [14:21,  1.01it/s]
886it [14:22,  1.01it/s]
887it [14:22,  1.02it/s]
888it [14:23,  1.02it/s]
889it [14:24,  1.02it/s]
890it [14:25,  1.02it/s]
891it [14:26,  1.01it/s]
892it [14:27,  1.02it/s]
893it [14:28,  1.03it/s]
894it [14:29,  1.03it/s]
895it [14:30,  1.02it/s]
896it [14:31,  1.02it/s]
897it [14:32,  1.02it/s]
898it [14:33,  1.02it/s]
899it [14:34,  1.02it/s]
900it [14:35,  1.02it/s]
901it [14:36,  1.02it/s]
902it [14:37,  1.02it/s]
903it [14:38,  1.02it/s]
904it [14:39,  1.03it/s]
905it [14:40,  1.03it/s]
906it [14:41,  1.02it/s]
907it [14:42,  1.03it/s]
908it [14:43,  1.02it/s]
909it [14:44,  1.02it/s]
910it [14:45,  1.02it/s]
911it [14:46,  1.02it/s]
912it [14:47,  1.02it/s]
913it [14:48,  1.04it/s]
914it [14:49,  1.04it/s]
915it [14:50,  1.03it/s]
916it [14:51,  1.03it/s]
917it [14:52,  1.04it/s]
918it [14:53,  1.04it/s]
919it [14:54,  1.03it/s]
920it [14:55,  1.03it/s]
921it [14:56,  1.04it/s]
922it [14:57,  1.04it/s]
923it [14:58,  1.04it/s]
924it [14:58,  1.04it/s]
925it [14:59,  1.04it/s]
926it [15:00,  1.04it/s]
927it [15:01,  1.04it/s]
928it [15:02,  1.03it/s]
929it [15:03,  1.03it/s]
930it [15:04,  1.03it/s]
931it [15:05,  1.04it/s]
932it [15:06,  1.04it/s]
933it [15:07,  1.03it/s]
934it [15:08,  1.03it/s]
935it [15:09,  1.02it/s]
936it [15:10,  1.02it/s]
937it [15:11,  1.02it/s]
938it [15:12,  1.03it/s]
939it [15:13,  1.03it/s]
940it [15:14,  1.03it/s]
941it [15:15,  1.03it/s]
942it [15:16,  1.03it/s]
943it [15:17,  1.03it/s]
944it [15:18,  1.03it/s]
945it [15:19,  1.04it/s]
946it [15:20,  1.05it/s]
947it [15:21,  1.05it/s]
948it [15:22,  1.06it/s]
949it [15:23,  1.07it/s]
950it [15:23,  1.08it/s]
951it [15:24,  1.08it/s]
952it [15:25,  1.08it/s]
953it [15:26,  1.08it/s]
954it [15:27,  1.08it/s]
955it [15:28,  1.09it/s]
956it [15:29,  1.08it/s]
957it [15:30,  1.09it/s]
958it [15:31,  1.09it/s]
959it [15:32,  1.09it/s]
960it [15:33,  1.09it/s]
961it [15:34,  1.09it/s]
962it [15:35,  1.08it/s]
963it [15:35,  1.08it/s]
964it [15:36,  1.08it/s]
965it [15:37,  1.08it/s]
966it [15:38,  1.08it/s]
967it [15:39,  1.08it/s]
968it [15:40,  1.08it/s]
969it [15:41,  1.08it/s]
970it [15:42,  1.08it/s]
971it [15:43,  1.08it/s]
972it [15:44,  1.09it/s]
973it [15:45,  1.09it/s]
974it [15:46,  1.08it/s]
975it [15:47,  1.08it/s]
976it [15:47,  1.08it/s]
977it [15:48,  1.08it/s]
978it [15:49,  1.08it/s]
979it [15:50,  1.07it/s]
980it [15:51,  1.08it/s]
981it [15:52,  1.08it/s]
982it [15:53,  1.08it/s]
983it [15:54,  1.08it/s]
984it [15:55,  1.08it/s]
985it [15:56,  1.08it/s]
986it [15:57,  1.08it/s]
987it [15:58,  1.08it/s]
988it [15:59,  1.08it/s]
989it [16:00,  1.08it/s]
990it [16:00,  1.09it/s]
991it [16:01,  1.09it/s]
992it [16:02,  1.09it/s]
993it [16:03,  1.09it/s]
994it [16:04,  1.09it/s]
995it [16:05,  1.09it/s]
996it [16:06,  1.09it/s]
997it [16:07,  1.08it/s]
998it [16:08,  1.08it/s]
999it [16:09,  1.08it/s]
1000it [16:10,  1.08it/s]
1000it [16:10,  1.03it/s]
Enumerated peptides:
	Number of peptides: 1000000
Conversion errors:
	SMILES: 0
⏰ Completed process in 0:16:10.141178

0it [00:00, ?it/s]
1it [00:10, 10.32s/it]
2it [00:20, 10.25s/it]
3it [00:30, 10.24s/it]
4it [00:40, 10.24s/it]
5it [00:51, 10.26s/it]
6it [01:01, 10.24s/it]
7it [01:11, 10.28s/it]
8it [01:22, 10.27s/it]
9it [01:32, 10.24s/it]
10it [01:42, 10.24s/it]
11it [01:52, 10.23s/it]
12it [02:02, 10.22s/it]
13it [02:13, 10.25s/it]
14it [02:23, 10.24s/it]
15it [02:33, 10.22s/it]
16it [02:43, 10.24s/it]
17it [02:54, 10.25s/it]
18it [03:04, 10.25s/it]
19it [03:14, 10.22s/it]
20it [03:24, 10.20s/it]
21it [03:34, 10.22s/it]
22it [03:45, 10.22s/it]
23it [03:55, 10.24s/it]
24it [04:05, 10.21s/it]
25it [04:15, 10.19s/it]
26it [04:26, 10.21s/it]
27it [04:36, 10.20s/it]
28it [04:46, 10.22s/it]
29it [04:56, 10.20s/it]
30it [05:06, 10.20s/it]
31it [05:17, 10.20s/it]
32it [05:27, 10.22s/it]
33it [05:37, 10.21s/it]
34it [05:47, 10.21s/it]
35it [05:57, 10.19s/it]
36it [06:08, 10.22s/it]
37it [06:18, 10.20s/it]
38it [06:28, 10.19s/it]
39it [06:38, 10.18s/it]
40it [06:48, 10.24s/it]
41it [06:59, 10.32s/it]
42it [07:09, 10.36s/it]
43it [07:20, 10.40s/it]
44it [07:30, 10.37s/it]
45it [07:41, 10.40s/it]
46it [07:51, 10.45s/it]
47it [08:02, 10.50s/it]
48it [08:13, 10.54s/it]
49it [08:23, 10.62s/it]
50it [08:34, 10.69s/it]
51it [08:45, 10.77s/it]
52it [08:56, 10.81s/it]
53it [09:07, 10.85s/it]
54it [09:18, 10.85s/it]
55it [09:29, 10.84s/it]
56it [09:39, 10.82s/it]
57it [09:50, 10.69s/it]
58it [10:00, 10.58s/it]
59it [10:11, 10.53s/it]
60it [10:21, 10.46s/it]
61it [10:31, 10.44s/it]
62it [10:42, 10.40s/it]
63it [10:52, 10.39s/it]
64it [11:02, 10.36s/it]
65it [11:13, 10.35s/it]
66it [11:23, 10.37s/it]
67it [11:33, 10.35s/it]
68it [11:44, 10.37s/it]
69it [11:54, 10.38s/it]
70it [12:04, 10.34s/it]
71it [12:15, 10.33s/it]
72it [12:25, 10.33s/it]
73it [12:35, 10.33s/it]
74it [12:46, 10.33s/it]
75it [12:56, 10.32s/it]
76it [13:06, 10.33s/it]
77it [13:17, 10.34s/it]
78it [13:27, 10.31s/it]
79it [13:37, 10.31s/it]
80it [13:47, 10.30s/it]
81it [13:58, 10.31s/it]
82it [14:08, 10.32s/it]
83it [14:19, 10.37s/it]
84it [14:29, 10.39s/it]
85it [14:39, 10.37s/it]
86it [14:50, 10.35s/it]
87it [15:00, 10.34s/it]
88it [15:10, 10.32s/it]
89it [15:21, 10.31s/it]
90it [15:31, 10.27s/it]
91it [15:41, 10.30s/it]
92it [15:51, 10.28s/it]
93it [16:02, 10.26s/it]
94it [16:12, 10.29s/it]
95it [16:22, 10.35s/it]
96it [16:33, 10.40s/it]
97it [16:43, 10.43s/it]
98it [16:54, 10.43s/it]
99it [17:04, 10.42s/it]
100it [17:15, 10.40s/it]
101it [17:25, 10.44s/it]
102it [17:36, 10.44s/it]
103it [17:46, 10.42s/it]
104it [17:56, 10.41s/it]
105it [18:07, 10.37s/it]
106it [18:17, 10.37s/it]
107it [18:27, 10.35s/it]
108it [18:38, 10.35s/it]
109it [18:48, 10.34s/it]
110it [18:58, 10.35s/it]
111it [19:09, 10.36s/it]
112it [19:19, 10.37s/it]
113it [19:29, 10.36s/it]
114it [19:40, 10.37s/it]
115it [19:50, 10.36s/it]
116it [20:01, 10.37s/it]
117it [20:11, 10.35s/it]
118it [20:21, 10.34s/it]
119it [20:32, 10.35s/it]
120it [20:42, 10.39s/it]
121it [20:53, 10.44s/it]
122it [21:03, 10.44s/it]
123it [21:13, 10.43s/it]
124it [21:24, 10.42s/it]
125it [21:34, 10.42s/it]
126it [21:45, 10.39s/it]
127it [21:55, 10.41s/it]
128it [22:05, 10.39s/it]
129it [22:16, 10.43s/it]
130it [22:26, 10.41s/it]
131it [22:37, 10.42s/it]
132it [22:47, 10.42s/it]
133it [22:58, 10.44s/it]
134it [23:08, 10.44s/it]
135it [23:19, 10.46s/it]
136it [23:29, 10.46s/it]
137it [23:40, 10.47s/it]
138it [23:50, 10.46s/it]
139it [24:00, 10.45s/it]
140it [24:11, 10.48s/it]
141it [24:21, 10.46s/it]
142it [24:32, 10.48s/it]
143it [24:42, 10.45s/it]
144it [24:53, 10.46s/it]
145it [25:03, 10.48s/it]
146it [25:14, 10.47s/it]
147it [25:24, 10.49s/it]
148it [25:35, 10.46s/it]
149it [25:45, 10.47s/it]
150it [25:56, 10.49s/it]
151it [26:06, 10.47s/it]
152it [26:17, 10.49s/it]
153it [26:27, 10.48s/it]
154it [26:38, 10.51s/it]
155it [26:48, 10.54s/it]
156it [26:59, 10.51s/it]
157it [27:09, 10.52s/it]
158it [27:20, 10.50s/it]
159it [27:30, 10.49s/it]
160it [27:41, 10.47s/it]
161it [27:51, 10.46s/it]
162it [28:02, 10.50s/it]
163it [28:12, 10.53s/it]
164it [28:23, 10.56s/it]
165it [28:33, 10.52s/it]
166it [28:44, 10.51s/it]
167it [28:54, 10.50s/it]
168it [29:05, 10.50s/it]
169it [29:15, 10.50s/it]
170it [29:26, 10.47s/it]
171it [29:36, 10.47s/it]
172it [29:47, 10.48s/it]
173it [29:57, 10.48s/it]
174it [30:08, 10.48s/it]
175it [30:18, 10.47s/it]
176it [30:29, 10.48s/it]
177it [30:39, 10.48s/it]
178it [30:49, 10.48s/it]
179it [31:00, 10.50s/it]
180it [31:10, 10.49s/it]
181it [31:21, 10.48s/it]
182it [31:31, 10.48s/it]
183it [31:42, 10.48s/it]
184it [31:52, 10.48s/it]
185it [32:03, 10.47s/it]
186it [32:13, 10.48s/it]
187it [32:24, 10.49s/it]
188it [32:34, 10.48s/it]
189it [32:45, 10.49s/it]
190it [32:55, 10.48s/it]
191it [33:06, 10.47s/it]
192it [33:16, 10.46s/it]
193it [33:27, 10.46s/it]
194it [33:37, 10.48s/it]
195it [33:48, 10.52s/it]
196it [33:58, 10.52s/it]
197it [34:09, 10.54s/it]
198it [34:19, 10.53s/it]
199it [34:30, 10.57s/it]
200it [34:41, 10.55s/it]
201it [34:51, 10.57s/it]
202it [35:02, 10.56s/it]
203it [35:12, 10.54s/it]
204it [35:23, 10.54s/it]
205it [35:33, 10.53s/it]
206it [35:44, 10.54s/it]
207it [35:54, 10.54s/it]
208it [36:05, 10.52s/it]
209it [36:15, 10.52s/it]
210it [36:26, 10.50s/it]
211it [36:36, 10.47s/it]
212it [36:47, 10.49s/it]
213it [36:57, 10.53s/it]
214it [37:08, 10.53s/it]
215it [37:18, 10.52s/it]
216it [37:29, 10.50s/it]
217it [37:39, 10.50s/it]
218it [37:50, 10.51s/it]
219it [38:00, 10.54s/it]
220it [38:11, 10.54s/it]
221it [38:21, 10.52s/it]
222it [38:32, 10.53s/it]
223it [38:43, 10.52s/it]
224it [38:53, 10.54s/it]
225it [39:04, 10.54s/it]
226it [39:14, 10.53s/it]
227it [39:25, 10.52s/it]
228it [39:35, 10.51s/it]
229it [39:46, 10.54s/it]
230it [39:56, 10.53s/it]
231it [40:07, 10.54s/it]
232it [40:17, 10.53s/it]
233it [40:28, 10.55s/it]
234it [40:39, 10.56s/it]
235it [40:49, 10.57s/it]
236it [41:00, 10.60s/it]
237it [41:10, 10.61s/it]
238it [41:21, 10.60s/it]
239it [41:32, 10.59s/it]
240it [41:42, 10.57s/it]
241it [41:53, 10.55s/it]
242it [42:03, 10.54s/it]
243it [42:14, 10.54s/it]
244it [42:24, 10.55s/it]
245it [42:35, 10.53s/it]
246it [42:45, 10.54s/it]
247it [42:56, 10.51s/it]
248it [43:06, 10.51s/it]
249it [43:17, 10.53s/it]
250it [43:27, 10.52s/it]
251it [43:38, 10.51s/it]
252it [43:48, 10.52s/it]
253it [43:59, 10.52s/it]
254it [44:09, 10.51s/it]
255it [44:20, 10.52s/it]
256it [44:30, 10.51s/it]
257it [44:41, 10.49s/it]
258it [44:51, 10.49s/it]
259it [45:02, 10.52s/it]
260it [45:12, 10.52s/it]
261it [45:23, 10.50s/it]
262it [45:33, 10.49s/it]
263it [45:44, 10.48s/it]
264it [45:54, 10.49s/it]
265it [46:05, 10.48s/it]
266it [46:15, 10.45s/it]
267it [46:26, 10.44s/it]
268it [46:36, 10.43s/it]
269it [46:46, 10.43s/it]
270it [46:57, 10.41s/it]
271it [47:07, 10.42s/it]
272it [47:18, 10.44s/it]
273it [47:28, 10.42s/it]
274it [47:38, 10.38s/it]
275it [47:49, 10.37s/it]
276it [47:59, 10.37s/it]
277it [48:09, 10.37s/it]
278it [48:20, 10.35s/it]
279it [48:30, 10.38s/it]
280it [48:41, 10.38s/it]
281it [48:51, 10.38s/it]
282it [49:01, 10.42s/it]
283it [49:12, 10.41s/it]
284it [49:22, 10.44s/it]
285it [49:33, 10.46s/it]
286it [49:43, 10.44s/it]
287it [49:54, 10.44s/it]
288it [50:04, 10.40s/it]
289it [50:14, 10.40s/it]
290it [50:25, 10.40s/it]
291it [50:35, 10.37s/it]
292it [50:46, 10.39s/it]
293it [50:56, 10.43s/it]
294it [51:07, 10.46s/it]
295it [51:17, 10.47s/it]
296it [51:28, 10.50s/it]
297it [51:38, 10.57s/it]
298it [51:49, 10.68s/it]
299it [52:00, 10.77s/it]
300it [52:11, 10.83s/it]
301it [52:22, 10.90s/it]
302it [52:33, 10.94s/it]
303it [52:44, 10.97s/it]
304it [52:55, 10.94s/it]
305it [53:06, 10.91s/it]
306it [53:17, 10.97s/it]
307it [53:28, 11.01s/it]
308it [53:39, 11.04s/it]
309it [53:50, 11.02s/it]
310it [54:01, 10.99s/it]
311it [54:12, 10.97s/it]
312it [54:23, 10.94s/it]
313it [54:34, 10.92s/it]
314it [54:45, 10.94s/it]
315it [54:56, 10.93s/it]
316it [55:07, 10.91s/it]
317it [55:18, 10.91s/it]
318it [55:28, 10.88s/it]
319it [55:39, 10.86s/it]
320it [55:50, 10.86s/it]
321it [56:01, 10.84s/it]
322it [56:12, 10.80s/it]
323it [56:23, 10.84s/it]
324it [56:33, 10.85s/it]
325it [56:44, 10.85s/it]
326it [56:55, 10.87s/it]
327it [57:06, 10.86s/it]
328it [57:17, 10.85s/it]
329it [57:28, 10.85s/it]
330it [57:39, 10.84s/it]
331it [57:49, 10.83s/it]
332it [58:00, 10.80s/it]
333it [58:11, 10.82s/it]
334it [58:22, 10.82s/it]
335it [58:33, 10.86s/it]
336it [58:43, 10.82s/it]
337it [58:54, 10.86s/it]
338it [59:05, 10.84s/it]
339it [59:16, 10.84s/it]
340it [59:27, 10.85s/it]
341it [59:38, 10.85s/it]
342it [59:49, 10.84s/it]
343it [59:59, 10.83s/it]
344it [1:00:10, 10.84s/it]
345it [1:00:21, 10.86s/it]
346it [1:00:32, 10.84s/it]
347it [1:00:43, 10.87s/it]
348it [1:00:54, 10.89s/it]
349it [1:01:05, 10.89s/it]
350it [1:01:16, 10.88s/it]
351it [1:01:26, 10.88s/it]
352it [1:01:37, 10.89s/it]
353it [1:01:48, 10.92s/it]
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966it [2:52:12, 10.51s/it]
967it [2:52:22, 10.46s/it]
968it [2:52:33, 10.47s/it]
969it [2:52:44, 10.52s/it]
970it [2:52:54, 10.51s/it]
971it [2:53:04, 10.44s/it]
972it [2:53:15, 10.43s/it]
973it [2:53:25, 10.48s/it]
974it [2:53:36, 10.47s/it]
975it [2:53:46, 10.46s/it]
976it [2:53:56, 10.42s/it]
977it [2:54:07, 10.37s/it]
978it [2:54:17, 10.35s/it]
979it [2:54:27, 10.33s/it]
980it [2:54:38, 10.32s/it]
981it [2:54:48, 10.32s/it]
982it [2:54:58, 10.30s/it]
983it [2:55:08, 10.29s/it]
984it [2:55:19, 10.27s/it]
985it [2:55:29, 10.28s/it]
986it [2:55:39, 10.29s/it]
987it [2:55:50, 10.30s/it]
988it [2:56:00, 10.30s/it]
989it [2:56:10, 10.30s/it]
990it [2:56:21, 10.31s/it]
991it [2:56:31, 10.33s/it]
992it [2:56:41, 10.33s/it]
993it [2:56:52, 10.35s/it]
994it [2:57:02, 10.35s/it]
995it [2:57:12, 10.34s/it]
996it [2:57:23, 10.43s/it]
997it [2:57:33, 10.38s/it]
998it [2:57:44, 10.38s/it]
999it [2:57:54, 10.37s/it]
1000it [2:58:04, 10.36s/it]
1000it [2:58:04, 10.68s/it]
Error counts:
	linear_id: 0
	linear_inchikey: 0
	linear_scaffold: 0
	linear_mwt: 0
	linear_clogp: 0
	linear_tpsa: 0
⏰ Completed process in 3:14:15.438375

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707it [1:40:33,  8.52s/it]
708it [1:40:42,  8.54s/it]
709it [1:40:51,  8.54s/it]
710it [1:40:59,  8.54s/it]
711it [1:41:08,  8.53s/it]
712it [1:41:16,  8.52s/it]
713it [1:41:25,  8.52s/it]
714it [1:41:33,  8.51s/it]
715it [1:41:42,  8.52s/it]
716it [1:41:50,  8.53s/it]
717it [1:41:59,  8.56s/it]
718it [1:42:07,  8.59s/it]
719it [1:42:16,  8.64s/it]
720it [1:42:25,  8.64s/it]
721it [1:42:33,  8.61s/it]
722it [1:42:42,  8.60s/it]
723it [1:42:50,  8.57s/it]
724it [1:42:59,  8.54s/it]
725it [1:43:08,  8.56s/it]
726it [1:43:16,  8.55s/it]
727it [1:43:25,  8.56s/it]
728it [1:43:33,  8.56s/it]
729it [1:43:42,  8.56s/it]
730it [1:43:50,  8.58s/it]
731it [1:43:59,  8.67s/it]
732it [1:44:08,  8.73s/it]
733it [1:44:17,  8.67s/it]
734it [1:44:25,  8.62s/it]
735it [1:44:34,  8.62s/it]
736it [1:44:42,  8.61s/it]
737it [1:44:51,  8.59s/it]
738it [1:44:59,  8.56s/it]
739it [1:45:08,  8.54s/it]
740it [1:45:16,  8.50s/it]
741it [1:45:25,  8.48s/it]
742it [1:45:33,  8.50s/it]
743it [1:45:42,  8.48s/it]
744it [1:45:50,  8.47s/it]
745it [1:45:59,  8.47s/it]
746it [1:46:07,  8.47s/it]
747it [1:46:16,  8.48s/it]
748it [1:46:24,  8.47s/it]
749it [1:46:32,  8.44s/it]
750it [1:46:41,  8.46s/it]
751it [1:46:49,  8.44s/it]
752it [1:46:58,  8.43s/it]
753it [1:47:06,  8.43s/it]
754it [1:47:15,  8.43s/it]
755it [1:47:23,  8.42s/it]
756it [1:47:31,  8.42s/it]
757it [1:47:40,  8.40s/it]
758it [1:47:48,  8.40s/it]
759it [1:47:57,  8.42s/it]
760it [1:48:05,  8.49s/it]
761it [1:48:14,  8.47s/it]
762it [1:48:22,  8.47s/it]
763it [1:48:31,  8.46s/it]
764it [1:48:39,  8.45s/it]
765it [1:48:48,  8.45s/it]
766it [1:48:56,  8.45s/it]
767it [1:49:04,  8.46s/it]
768it [1:49:13,  8.45s/it]
769it [1:49:21,  8.43s/it]
770it [1:49:30,  8.42s/it]
771it [1:49:38,  8.43s/it]
772it [1:49:47,  8.44s/it]
773it [1:49:55,  8.44s/it]
774it [1:50:03,  8.42s/it]
775it [1:50:12,  8.43s/it]
776it [1:50:20,  8.41s/it]
777it [1:50:29,  8.40s/it]
778it [1:50:37,  8.39s/it]
779it [1:50:45,  8.39s/it]
780it [1:50:54,  8.41s/it]
781it [1:51:02,  8.42s/it]
782it [1:51:11,  8.44s/it]
783it [1:51:19,  8.44s/it]
784it [1:51:28,  8.44s/it]
785it [1:51:36,  8.41s/it]
786it [1:51:44,  8.42s/it]
787it [1:51:53,  8.42s/it]
788it [1:52:01,  8.40s/it]
789it [1:52:10,  8.40s/it]
790it [1:52:18,  8.39s/it]
791it [1:52:26,  8.39s/it]
792it [1:52:35,  8.40s/it]
793it [1:52:43,  8.40s/it]
794it [1:52:52,  8.40s/it]
795it [1:53:00,  8.39s/it]
796it [1:53:08,  8.39s/it]
797it [1:53:17,  8.41s/it]
798it [1:53:25,  8.43s/it]
799it [1:53:34,  8.43s/it]
800it [1:53:42,  8.44s/it]
801it [1:53:51,  8.45s/it]
802it [1:53:59,  8.45s/it]
803it [1:54:08,  8.46s/it]
804it [1:54:16,  8.52s/it]
805it [1:54:25,  8.51s/it]
806it [1:54:33,  8.49s/it]
807it [1:54:42,  8.51s/it]
808it [1:54:50,  8.50s/it]
809it [1:54:59,  8.52s/it]
810it [1:55:07,  8.54s/it]
811it [1:55:16,  8.66s/it]
812it [1:55:25,  8.69s/it]
813it [1:55:33,  8.63s/it]
814it [1:55:42,  8.61s/it]
815it [1:55:50,  8.54s/it]
816it [1:55:59,  8.50s/it]
817it [1:56:07,  8.48s/it]
818it [1:56:16,  8.54s/it]
819it [1:56:24,  8.54s/it]
820it [1:56:33,  8.53s/it]
821it [1:56:41,  8.51s/it]
822it [1:56:50,  8.51s/it]
823it [1:56:58,  8.49s/it]
824it [1:57:07,  8.49s/it]
825it [1:57:15,  8.49s/it]
826it [1:57:24,  8.50s/it]
827it [1:57:32,  8.49s/it]
828it [1:57:41,  8.48s/it]
829it [1:57:49,  8.48s/it]
830it [1:57:58,  8.51s/it]
831it [1:58:06,  8.50s/it]
832it [1:58:15,  8.51s/it]
833it [1:58:23,  8.52s/it]
834it [1:58:32,  8.56s/it]
835it [1:58:41,  8.52s/it]
836it [1:58:49,  8.50s/it]
837it [1:58:58,  8.52s/it]
838it [1:59:06,  8.50s/it]
839it [1:59:14,  8.46s/it]
840it [1:59:23,  8.43s/it]
841it [1:59:31,  8.42s/it]
842it [1:59:40,  8.42s/it]
843it [1:59:48,  8.43s/it]
844it [1:59:56,  8.44s/it]
845it [2:00:05,  8.43s/it]
846it [2:00:13,  8.45s/it]
847it [2:00:22,  8.46s/it]
848it [2:00:30,  8.46s/it]
849it [2:00:39,  8.45s/it]
850it [2:00:47,  8.47s/it]
851it [2:00:56,  8.45s/it]
852it [2:01:04,  8.45s/it]
853it [2:01:13,  8.46s/it]
854it [2:01:21,  8.48s/it]
855it [2:01:29,  8.46s/it]
856it [2:01:38,  8.45s/it]
857it [2:01:46,  8.48s/it]
858it [2:01:55,  8.47s/it]
859it [2:02:03,  8.47s/it]
860it [2:02:12,  8.45s/it]
861it [2:02:20,  8.44s/it]
862it [2:02:29,  8.47s/it]
863it [2:02:37,  8.51s/it]
864it [2:02:46,  8.50s/it]
865it [2:02:54,  8.49s/it]
866it [2:03:03,  8.47s/it]
867it [2:03:11,  8.47s/it]
868it [2:03:20,  8.47s/it]
869it [2:03:28,  8.45s/it]
870it [2:03:37,  8.51s/it]
871it [2:03:45,  8.55s/it]
872it [2:03:54,  8.53s/it]
873it [2:04:03,  8.62s/it]
874it [2:04:11,  8.60s/it]
875it [2:04:20,  8.61s/it]
876it [2:04:28,  8.59s/it]
877it [2:04:37,  8.57s/it]
878it [2:04:46,  8.57s/it]
879it [2:04:54,  8.56s/it]
880it [2:05:03,  8.54s/it]
881it [2:05:11,  8.55s/it]
882it [2:05:20,  8.59s/it]
883it [2:05:29,  8.64s/it]
884it [2:05:37,  8.63s/it]
885it [2:05:46,  8.62s/it]
886it [2:05:54,  8.64s/it]
887it [2:06:03,  8.69s/it]
888it [2:06:12,  8.70s/it]
889it [2:06:21,  8.70s/it]
890it [2:06:29,  8.66s/it]
891it [2:06:38,  8.65s/it]
892it [2:06:46,  8.62s/it]
893it [2:06:55,  8.60s/it]
894it [2:07:04,  8.58s/it]
895it [2:07:12,  8.57s/it]
896it [2:07:21,  8.54s/it]
897it [2:07:29,  8.55s/it]
898it [2:07:38,  8.54s/it]
899it [2:07:46,  8.56s/it]
900it [2:07:55,  8.55s/it]
901it [2:08:03,  8.56s/it]
902it [2:08:12,  8.57s/it]
903it [2:08:21,  8.59s/it]
904it [2:08:29,  8.60s/it]
905it [2:08:38,  8.62s/it]
906it [2:08:47,  8.64s/it]
907it [2:08:55,  8.64s/it]
908it [2:09:04,  8.63s/it]
909it [2:09:12,  8.65s/it]
910it [2:09:21,  8.65s/it]
911it [2:09:30,  8.65s/it]
912it [2:09:38,  8.65s/it]
913it [2:09:47,  8.65s/it]
914it [2:09:56,  8.65s/it]
915it [2:10:04,  8.65s/it]
916it [2:10:13,  8.64s/it]
917it [2:10:22,  8.63s/it]
918it [2:10:30,  8.64s/it]
919it [2:10:39,  8.66s/it]
920it [2:10:47,  8.58s/it]
921it [2:10:56,  8.56s/it]
922it [2:11:04,  8.55s/it]
923it [2:11:13,  8.63s/it]
924it [2:11:22,  8.60s/it]
925it [2:11:30,  8.58s/it]
926it [2:11:39,  8.57s/it]
927it [2:11:48,  8.61s/it]
928it [2:11:56,  8.60s/it]
929it [2:12:05,  8.59s/it]
930it [2:12:13,  8.56s/it]
931it [2:12:22,  8.55s/it]
932it [2:12:30,  8.52s/it]
933it [2:12:39,  8.54s/it]
934it [2:12:47,  8.54s/it]
935it [2:12:56,  8.55s/it]
936it [2:13:04,  8.56s/it]
937it [2:13:13,  8.55s/it]
938it [2:13:21,  8.54s/it]
939it [2:13:30,  8.53s/it]
940it [2:13:38,  8.52s/it]
941it [2:13:47,  8.49s/it]
942it [2:13:55,  8.47s/it]
943it [2:14:04,  8.47s/it]
944it [2:14:12,  8.48s/it]
945it [2:14:21,  8.49s/it]
946it [2:14:29,  8.55s/it]
947it [2:14:38,  8.55s/it]
948it [2:14:46,  8.51s/it]
949it [2:14:55,  8.50s/it]
950it [2:15:03,  8.50s/it]
951it [2:15:12,  8.52s/it]
952it [2:15:21,  8.53s/it]
953it [2:15:29,  8.54s/it]
954it [2:15:38,  8.54s/it]
955it [2:15:46,  8.57s/it]
956it [2:15:55,  8.59s/it]
957it [2:16:04,  8.61s/it]
958it [2:16:12,  8.63s/it]
959it [2:16:21,  8.62s/it]
960it [2:16:29,  8.62s/it]
961it [2:16:38,  8.63s/it]
962it [2:16:47,  8.63s/it]
963it [2:16:55,  8.64s/it]
964it [2:17:04,  8.62s/it]
965it [2:17:12,  8.58s/it]
966it [2:17:21,  8.57s/it]
967it [2:17:29,  8.50s/it]
968it [2:17:38,  8.48s/it]
969it [2:17:46,  8.48s/it]
970it [2:17:55,  8.47s/it]
971it [2:18:03,  8.44s/it]
972it [2:18:12,  8.44s/it]
973it [2:18:20,  8.45s/it]
974it [2:18:28,  8.46s/it]
975it [2:18:37,  8.50s/it]
976it [2:18:46,  8.51s/it]
977it [2:18:54,  8.53s/it]
978it [2:19:03,  8.54s/it]
979it [2:19:11,  8.54s/it]
980it [2:19:20,  8.52s/it]
981it [2:19:28,  8.52s/it]
982it [2:19:37,  8.52s/it]
983it [2:19:45,  8.50s/it]
984it [2:19:54,  8.48s/it]
985it [2:20:02,  8.52s/it]
986it [2:20:11,  8.52s/it]
987it [2:20:19,  8.50s/it]
988it [2:20:28,  8.48s/it]
989it [2:20:36,  8.47s/it]
990it [2:20:45,  8.46s/it]
991it [2:20:53,  8.46s/it]
992it [2:21:01,  8.45s/it]
993it [2:21:10,  8.44s/it]
994it [2:21:18,  8.45s/it]
995it [2:21:27,  8.48s/it]
996it [2:21:35,  8.48s/it]
997it [2:21:44,  8.48s/it]
998it [2:21:53,  8.59s/it]
999it [2:22:02,  8.67s/it]
1000it [2:22:10,  8.69s/it]
1000it [2:22:10,  8.53s/it]
Error counts:
	cysteine_to_N_cyclization: 0
⏰ Completed process in 5:36:27.402168

0it [00:00, ?it/s]
1it [00:11, 11.03s/it]
2it [00:21, 10.90s/it]
3it [00:32, 10.89s/it]
4it [00:43, 10.92s/it]
5it [00:54, 10.97s/it]
6it [01:05, 11.01s/it]
7it [01:16, 11.00s/it]
8it [01:27, 11.00s/it]
9it [01:38, 10.97s/it]
10it [01:49, 10.97s/it]
11it [02:00, 10.96s/it]
12it [02:11, 10.95s/it]
13it [02:22, 10.98s/it]
14it [02:33, 10.98s/it]
15it [02:44, 10.97s/it]
16it [02:55, 10.98s/it]
17it [03:06, 10.97s/it]
18it [03:17, 10.90s/it]
19it [03:27, 10.83s/it]
20it [03:38, 10.78s/it]
21it [03:49, 10.76s/it]
22it [04:00, 10.77s/it]
23it [04:10, 10.75s/it]
24it [04:21, 10.76s/it]
25it [04:32, 10.73s/it]
26it [04:42, 10.74s/it]
27it [04:53, 10.76s/it]
28it [05:04, 10.80s/it]
29it [05:15, 10.80s/it]
30it [05:26, 10.81s/it]
31it [05:37, 10.79s/it]
32it [05:47, 10.82s/it]
33it [05:58, 10.84s/it]
34it [06:09, 10.85s/it]
35it [06:20, 10.87s/it]
36it [06:31, 10.83s/it]
37it [06:42, 10.79s/it]
38it [06:52, 10.79s/it]
39it [07:03, 10.77s/it]
40it [07:14, 10.76s/it]
41it [07:25, 10.76s/it]
42it [07:35, 10.75s/it]
43it [07:46, 10.73s/it]
44it [07:57, 10.72s/it]
45it [08:07, 10.70s/it]
46it [08:18, 10.68s/it]
47it [08:29, 10.68s/it]
48it [08:39, 10.70s/it]
49it [08:50, 10.69s/it]
50it [09:01, 10.67s/it]
51it [09:11, 10.69s/it]
52it [09:22, 10.69s/it]
53it [09:33, 10.71s/it]
54it [09:44, 10.72s/it]
55it [09:54, 10.70s/it]
56it [10:05, 10.75s/it]
57it [10:16, 10.77s/it]
58it [10:27, 10.73s/it]
59it [10:37, 10.73s/it]
60it [10:48, 10.72s/it]
61it [10:59, 10.77s/it]
62it [11:10, 10.79s/it]
63it [11:20, 10.78s/it]
64it [11:31, 10.78s/it]
65it [11:42, 10.81s/it]
66it [11:53, 10.80s/it]
67it [12:04, 10.78s/it]
68it [12:15, 10.82s/it]
69it [12:25, 10.83s/it]
70it [12:36, 10.80s/it]
71it [12:47, 10.81s/it]
72it [12:58, 10.81s/it]
73it [13:09, 10.80s/it]
74it [13:19, 10.81s/it]
75it [13:30, 10.83s/it]
76it [13:41, 10.84s/it]
77it [13:52, 10.87s/it]
78it [14:03, 10.79s/it]
79it [14:13, 10.77s/it]
80it [14:24, 10.76s/it]
81it [14:35, 10.75s/it]
82it [14:45, 10.72s/it]
83it [14:56, 10.73s/it]
84it [15:07, 10.73s/it]
85it [15:18, 10.72s/it]
86it [15:28, 10.72s/it]
87it [15:39, 10.71s/it]
88it [15:50, 10.71s/it]
89it [16:00, 10.70s/it]
90it [16:11, 10.66s/it]
91it [16:22, 10.69s/it]
92it [16:33, 10.73s/it]
93it [16:43, 10.76s/it]
94it [16:54, 10.81s/it]
95it [17:05, 10.88s/it]
96it [17:16, 10.90s/it]
97it [17:27, 10.89s/it]
98it [17:38, 10.91s/it]
99it [17:49, 10.90s/it]
100it [18:00, 10.89s/it]
101it [18:11, 10.91s/it]
102it [18:22, 10.91s/it]
103it [18:33, 10.91s/it]
104it [18:43, 10.88s/it]
105it [18:54, 10.87s/it]
106it [19:05, 10.90s/it]
107it [19:16, 10.94s/it]
108it [19:27, 10.98s/it]
109it [19:38, 11.00s/it]
110it [19:50, 11.02s/it]
111it [20:01, 11.04s/it]
112it [20:12, 11.06s/it]
113it [20:23, 11.09s/it]
114it [20:34, 11.12s/it]
115it [20:45, 11.10s/it]
116it [20:56, 11.10s/it]
117it [21:07, 11.09s/it]
118it [21:18, 11.05s/it]
119it [21:29, 11.02s/it]
120it [21:40, 11.03s/it]
121it [21:51, 11.02s/it]
122it [22:02, 11.02s/it]
123it [22:13, 11.03s/it]
124it [22:24, 11.02s/it]
125it [22:35, 11.01s/it]
126it [22:46, 11.00s/it]
127it [22:57, 11.00s/it]
128it [23:08, 11.03s/it]
129it [23:20, 11.06s/it]
130it [23:31, 11.10s/it]
131it [23:42, 11.11s/it]
132it [23:53, 11.09s/it]
133it [24:04, 11.07s/it]
134it [24:15, 11.06s/it]
135it [24:26, 11.06s/it]
136it [24:37, 11.10s/it]
137it [24:48, 11.08s/it]
138it [24:59, 11.04s/it]
139it [25:10, 11.05s/it]
140it [25:21, 11.05s/it]
141it [25:32, 11.02s/it]
142it [25:43, 11.06s/it]
143it [25:54, 11.04s/it]
144it [26:05, 11.06s/it]
145it [26:17, 11.08s/it]
146it [26:28, 11.09s/it]
147it [26:39, 11.09s/it]
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622it [1:53:18, 10.67s/it]
623it [1:53:29, 10.62s/it]
624it [1:53:39, 10.61s/it]
625it [1:53:50, 10.58s/it]
626it [1:54:00, 10.57s/it]
627it [1:54:11, 10.55s/it]
628it [1:54:21, 10.53s/it]
629it [1:54:32, 10.53s/it]
630it [1:54:42, 10.51s/it]
631it [1:54:53, 10.51s/it]
632it [1:55:03, 10.52s/it]
633it [1:55:14, 10.52s/it]
634it [1:55:25, 10.53s/it]
635it [1:55:35, 10.52s/it]
636it [1:55:46, 10.52s/it]
637it [1:55:56, 10.53s/it]
638it [1:56:07, 10.57s/it]
639it [1:56:17, 10.61s/it]
640it [1:56:28, 10.65s/it]
641it [1:56:39, 10.71s/it]
642it [1:56:50, 10.70s/it]
643it [1:57:00, 10.67s/it]
644it [1:57:11, 10.68s/it]
645it [1:57:22, 10.65s/it]
646it [1:57:32, 10.66s/it]
647it [1:57:43, 10.69s/it]
648it [1:57:54, 10.66s/it]
649it [1:58:04, 10.69s/it]
650it [1:58:15, 10.71s/it]
651it [1:58:26, 10.74s/it]
652it [1:58:37, 10.77s/it]
653it [1:58:47, 10.73s/it]
654it [1:58:58, 10.71s/it]
655it [1:59:09, 10.75s/it]
656it [1:59:20, 10.71s/it]
657it [1:59:30, 10.64s/it]
658it [1:59:41, 10.67s/it]
659it [1:59:51, 10.64s/it]
660it [2:00:02, 10.61s/it]
661it [2:00:12, 10.60s/it]
662it [2:00:23, 10.63s/it]
663it [2:00:34, 10.64s/it]
664it [2:00:45, 10.65s/it]
665it [2:00:55, 10.67s/it]
666it [2:01:06, 10.70s/it]
667it [2:01:17, 10.70s/it]
668it [2:01:27, 10.66s/it]
669it [2:01:38, 10.63s/it]
670it [2:01:48, 10.61s/it]
671it [2:01:59, 10.58s/it]
672it [2:02:09, 10.57s/it]
673it [2:02:20, 10.59s/it]
674it [2:02:31, 10.61s/it]
675it [2:02:41, 10.60s/it]
676it [2:02:52, 10.56s/it]
677it [2:03:02, 10.56s/it]
678it [2:03:13, 10.59s/it]
679it [2:03:24, 10.61s/it]
680it [2:03:34, 10.60s/it]
681it [2:03:45, 10.60s/it]
682it [2:03:55, 10.60s/it]
683it [2:04:06, 10.59s/it]
684it [2:04:17, 10.61s/it]
685it [2:04:27, 10.61s/it]
686it [2:04:38, 10.59s/it]
687it [2:04:48, 10.61s/it]
688it [2:04:59, 10.60s/it]
689it [2:05:10, 10.65s/it]
690it [2:05:20, 10.62s/it]
691it [2:05:31, 10.60s/it]
692it [2:05:41, 10.59s/it]
693it [2:05:52, 10.56s/it]
694it [2:06:03, 10.56s/it]
695it [2:06:13, 10.54s/it]
696it [2:06:23, 10.52s/it]
697it [2:06:34, 10.54s/it]
698it [2:06:45, 10.57s/it]
699it [2:06:55, 10.58s/it]
700it [2:07:06, 10.57s/it]
701it [2:07:16, 10.56s/it]
702it [2:07:27, 10.52s/it]
703it [2:07:38, 10.58s/it]
704it [2:07:48, 10.59s/it]
705it [2:07:59, 10.57s/it]
706it [2:08:09, 10.59s/it]
707it [2:08:20, 10.59s/it]
708it [2:08:31, 10.64s/it]
709it [2:08:41, 10.69s/it]
710it [2:08:52, 10.68s/it]
711it [2:09:03, 10.67s/it]
712it [2:09:13, 10.67s/it]
713it [2:09:24, 10.68s/it]
714it [2:09:35, 10.66s/it]
715it [2:09:45, 10.65s/it]
716it [2:09:56, 10.61s/it]
717it [2:10:07, 10.66s/it]
718it [2:10:17, 10.64s/it]
719it [2:10:28, 10.60s/it]
720it [2:10:38, 10.59s/it]
721it [2:10:49, 10.58s/it]
722it [2:10:59, 10.56s/it]
723it [2:11:10, 10.56s/it]
724it [2:11:21, 10.55s/it]
725it [2:11:31, 10.53s/it]
726it [2:11:42, 10.54s/it]
727it [2:11:52, 10.56s/it]
728it [2:12:03, 10.55s/it]
729it [2:12:13, 10.59s/it]
730it [2:12:24, 10.59s/it]
731it [2:12:35, 10.58s/it]
732it [2:12:45, 10.62s/it]
733it [2:12:56, 10.63s/it]
734it [2:13:06, 10.61s/it]
735it [2:13:17, 10.63s/it]
736it [2:13:28, 10.62s/it]
737it [2:13:38, 10.61s/it]
738it [2:13:49, 10.61s/it]
739it [2:13:59, 10.59s/it]
740it [2:14:10, 10.57s/it]
741it [2:14:20, 10.55s/it]
742it [2:14:31, 10.55s/it]
743it [2:14:42, 10.56s/it]
744it [2:14:52, 10.58s/it]
745it [2:15:03, 10.58s/it]
746it [2:15:13, 10.56s/it]
747it [2:15:24, 10.57s/it]
748it [2:15:34, 10.56s/it]
749it [2:15:45, 10.56s/it]
750it [2:15:56, 10.58s/it]
751it [2:16:06, 10.57s/it]
752it [2:16:17, 10.57s/it]
753it [2:16:27, 10.58s/it]
754it [2:16:38, 10.57s/it]
755it [2:16:48, 10.56s/it]
756it [2:16:59, 10.55s/it]
757it [2:17:10, 10.55s/it]
758it [2:17:20, 10.55s/it]
759it [2:17:31, 10.55s/it]
760it [2:17:41, 10.57s/it]
761it [2:17:52, 10.58s/it]
762it [2:18:02, 10.60s/it]
763it [2:18:13, 10.61s/it]
764it [2:18:24, 10.60s/it]
765it [2:18:34, 10.61s/it]
766it [2:18:45, 10.60s/it]
767it [2:18:56, 10.62s/it]
768it [2:19:06, 10.61s/it]
769it [2:19:17, 10.61s/it]
770it [2:19:27, 10.59s/it]
771it [2:19:38, 10.58s/it]
772it [2:19:49, 10.60s/it]
773it [2:19:59, 10.61s/it]
774it [2:20:10, 10.61s/it]
775it [2:20:20, 10.60s/it]
776it [2:20:31, 10.57s/it]
777it [2:20:42, 10.62s/it]
778it [2:20:52, 10.63s/it]
779it [2:21:03, 10.64s/it]
780it [2:21:14, 10.65s/it]
781it [2:21:24, 10.66s/it]
782it [2:21:35, 10.69s/it]
783it [2:21:46, 10.69s/it]
784it [2:21:56, 10.65s/it]
785it [2:22:07, 10.65s/it]
786it [2:22:18, 10.63s/it]
787it [2:22:28, 10.61s/it]
788it [2:22:39, 10.61s/it]
789it [2:22:49, 10.60s/it]
790it [2:23:00, 10.56s/it]
791it [2:23:10, 10.54s/it]
792it [2:23:21, 10.54s/it]
793it [2:23:31, 10.51s/it]
794it [2:23:42, 10.50s/it]
795it [2:23:52, 10.48s/it]
796it [2:24:03, 10.48s/it]
797it [2:24:13, 10.46s/it]
798it [2:24:24, 10.47s/it]
799it [2:24:34, 10.46s/it]
800it [2:24:44, 10.45s/it]
801it [2:24:55, 10.45s/it]
802it [2:25:05, 10.45s/it]
803it [2:25:16, 10.43s/it]
804it [2:25:26, 10.44s/it]
805it [2:25:37, 10.42s/it]
806it [2:25:47, 10.40s/it]
807it [2:25:57, 10.41s/it]
808it [2:26:08, 10.42s/it]
809it [2:26:18, 10.43s/it]
810it [2:26:28, 10.39s/it]
811it [2:26:39, 10.38s/it]
812it [2:26:49, 10.36s/it]
813it [2:26:59, 10.34s/it]
814it [2:27:10, 10.35s/it]
815it [2:27:20, 10.33s/it]
816it [2:27:30, 10.32s/it]
817it [2:27:41, 10.34s/it]
818it [2:27:51, 10.36s/it]
819it [2:28:02, 10.36s/it]
820it [2:28:12, 10.36s/it]
821it [2:28:22, 10.35s/it]
822it [2:28:33, 10.34s/it]
823it [2:28:43, 10.34s/it]
824it [2:28:53, 10.36s/it]
825it [2:29:04, 10.35s/it]
826it [2:29:14, 10.43s/it]
827it [2:29:25, 10.40s/it]
828it [2:29:35, 10.40s/it]
829it [2:29:45, 10.39s/it]
830it [2:29:56, 10.38s/it]
831it [2:30:06, 10.36s/it]
832it [2:30:16, 10.33s/it]
833it [2:30:27, 10.33s/it]
834it [2:30:37, 10.33s/it]
835it [2:30:47, 10.34s/it]
836it [2:30:58, 10.32s/it]
837it [2:31:08, 10.33s/it]
838it [2:31:18, 10.36s/it]
839it [2:31:29, 10.34s/it]
840it [2:31:39, 10.35s/it]
841it [2:31:49, 10.35s/it]
842it [2:32:00, 10.36s/it]
843it [2:32:10, 10.36s/it]
844it [2:32:21, 10.39s/it]
845it [2:32:31, 10.41s/it]
846it [2:32:41, 10.41s/it]
847it [2:32:52, 10.42s/it]
848it [2:33:02, 10.40s/it]
849it [2:33:13, 10.38s/it]
850it [2:33:23, 10.38s/it]
851it [2:33:33, 10.39s/it]
852it [2:33:44, 10.40s/it]
853it [2:33:54, 10.41s/it]
854it [2:34:05, 10.43s/it]
855it [2:34:15, 10.42s/it]
856it [2:34:25, 10.43s/it]
857it [2:34:36, 10.45s/it]
858it [2:34:46, 10.43s/it]
859it [2:34:57, 10.42s/it]
860it [2:35:07, 10.41s/it]
861it [2:35:18, 10.43s/it]
862it [2:35:28, 10.44s/it]
863it [2:35:38, 10.43s/it]
864it [2:35:49, 10.40s/it]
865it [2:35:59, 10.38s/it]
866it [2:36:09, 10.36s/it]
867it [2:36:20, 10.35s/it]
868it [2:36:30, 10.37s/it]
869it [2:36:41, 10.38s/it]
870it [2:36:51, 10.34s/it]
871it [2:37:01, 10.34s/it]
872it [2:37:11, 10.32s/it]
873it [2:37:22, 10.33s/it]
874it [2:37:32, 10.34s/it]
875it [2:37:43, 10.37s/it]
876it [2:37:53, 10.37s/it]
877it [2:38:03, 10.35s/it]
878it [2:38:14, 10.35s/it]
879it [2:38:24, 10.34s/it]
880it [2:38:34, 10.33s/it]
881it [2:38:45, 10.34s/it]
882it [2:38:55, 10.35s/it]
883it [2:39:05, 10.33s/it]
884it [2:39:16, 10.37s/it]
885it [2:39:26, 10.35s/it]
886it [2:39:36, 10.35s/it]
887it [2:39:47, 10.34s/it]
888it [2:39:57, 10.34s/it]
889it [2:40:07, 10.34s/it]
890it [2:40:18, 10.36s/it]
891it [2:40:28, 10.36s/it]
892it [2:40:39, 10.36s/it]
893it [2:40:49, 10.39s/it]
894it [2:41:00, 10.44s/it]
895it [2:41:10, 10.45s/it]
896it [2:41:20, 10.41s/it]
897it [2:41:31, 10.41s/it]
898it [2:41:41, 10.43s/it]
899it [2:41:52, 10.49s/it]
900it [2:42:02, 10.45s/it]
901it [2:42:13, 10.42s/it]
902it [2:42:23, 10.41s/it]
903it [2:42:33, 10.41s/it]
904it [2:42:44, 10.39s/it]
905it [2:42:54, 10.43s/it]
906it [2:43:05, 10.40s/it]
907it [2:43:15, 10.40s/it]
908it [2:43:26, 10.44s/it]
909it [2:43:36, 10.43s/it]
910it [2:43:46, 10.39s/it]
911it [2:43:57, 10.36s/it]
912it [2:44:07, 10.36s/it]
913it [2:44:17, 10.35s/it]
914it [2:44:28, 10.35s/it]
915it [2:44:38, 10.33s/it]
916it [2:44:48, 10.33s/it]
917it [2:44:59, 10.33s/it]
918it [2:45:09, 10.33s/it]
919it [2:45:19, 10.33s/it]
920it [2:45:29, 10.32s/it]
921it [2:45:40, 10.31s/it]
922it [2:45:50, 10.29s/it]
923it [2:46:00, 10.31s/it]
924it [2:46:11, 10.30s/it]
925it [2:46:21, 10.29s/it]
926it [2:46:31, 10.28s/it]
927it [2:46:41, 10.27s/it]
928it [2:46:52, 10.28s/it]
929it [2:47:02, 10.27s/it]
930it [2:47:12, 10.26s/it]
931it [2:47:22, 10.26s/it]
932it [2:47:33, 10.25s/it]
933it [2:47:43, 10.25s/it]
934it [2:47:53, 10.26s/it]
935it [2:48:03, 10.27s/it]
936it [2:48:14, 10.30s/it]
937it [2:48:24, 10.32s/it]
938it [2:48:35, 10.33s/it]
939it [2:48:45, 10.35s/it]
940it [2:48:55, 10.36s/it]
941it [2:49:06, 10.36s/it]
942it [2:49:16, 10.36s/it]
943it [2:49:26, 10.34s/it]
944it [2:49:37, 10.34s/it]
945it [2:49:47, 10.31s/it]
946it [2:49:57, 10.31s/it]
947it [2:50:08, 10.29s/it]
948it [2:50:18, 10.28s/it]
949it [2:50:28, 10.27s/it]
950it [2:50:38, 10.26s/it]
951it [2:50:48, 10.25s/it]
952it [2:50:59, 10.23s/it]
953it [2:51:09, 10.23s/it]
954it [2:51:19, 10.22s/it]
955it [2:51:29, 10.23s/it]
956it [2:51:40, 10.25s/it]
957it [2:51:50, 10.26s/it]
958it [2:52:00, 10.27s/it]
959it [2:52:10, 10.27s/it]
960it [2:52:21, 10.26s/it]
961it [2:52:31, 10.27s/it]
962it [2:52:41, 10.25s/it]
963it [2:52:52, 10.27s/it]
964it [2:53:02, 10.26s/it]
965it [2:53:12, 10.27s/it]
966it [2:53:22, 10.29s/it]
967it [2:53:33, 10.30s/it]
968it [2:53:43, 10.32s/it]
969it [2:53:53, 10.34s/it]
970it [2:54:04, 10.33s/it]
971it [2:54:14, 10.31s/it]
972it [2:54:24, 10.30s/it]
973it [2:54:35, 10.31s/it]
974it [2:54:45, 10.33s/it]
975it [2:54:55, 10.35s/it]
976it [2:55:06, 10.37s/it]
977it [2:55:16, 10.38s/it]
978it [2:55:27, 10.37s/it]
979it [2:55:37, 10.37s/it]
980it [2:55:47, 10.37s/it]
981it [2:55:58, 10.38s/it]
982it [2:56:08, 10.37s/it]
983it [2:56:18, 10.34s/it]
984it [2:56:29, 10.32s/it]
985it [2:56:39, 10.34s/it]
986it [2:56:49, 10.33s/it]
987it [2:57:00, 10.31s/it]
988it [2:57:10, 10.30s/it]
989it [2:57:20, 10.29s/it]
990it [2:57:30, 10.29s/it]
991it [2:57:41, 10.29s/it]
992it [2:57:51, 10.28s/it]
993it [2:58:01, 10.28s/it]
994it [2:58:12, 10.29s/it]
995it [2:58:22, 10.29s/it]
996it [2:58:32, 10.33s/it]
997it [2:58:43, 10.40s/it]
998it [2:58:53, 10.42s/it]
999it [2:59:04, 10.38s/it]
1000it [2:59:14, 10.36s/it]
1000it [2:59:14, 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 8:35:43.107393

0it [00:00, ?it/s]
1it [00:00,  9.05it/s]
2it [00:00,  9.09it/s]
3it [00:00,  9.25it/s]
4it [00:00,  9.33it/s]
5it [00:00,  9.35it/s]
6it [00:00,  9.40it/s]
7it [00:00,  9.44it/s]
8it [00:00,  9.40it/s]
9it [00:00,  9.41it/s]
10it [00:01,  9.44it/s]
11it [00:01,  9.46it/s]
12it [00:01,  9.49it/s]
13it [00:01,  9.46it/s]
14it [00:01,  9.47it/s]
15it [00:01,  9.51it/s]
16it [00:01,  9.48it/s]
17it [00:01,  9.47it/s]
18it [00:01,  9.47it/s]
19it [00:02,  9.50it/s]
20it [00:02,  9.48it/s]
21it [00:02,  9.46it/s]
22it [00:02,  9.48it/s]
23it [00:02,  9.44it/s]
24it [00:02,  9.44it/s]
25it [00:02,  9.47it/s]
26it [00:02,  9.49it/s]
27it [00:02,  9.51it/s]
28it [00:02,  9.53it/s]
29it [00:03,  9.50it/s]
30it [00:03,  9.45it/s]
31it [00:03,  9.45it/s]
32it [00:03,  9.49it/s]
33it [00:03,  9.48it/s]
34it [00:03,  9.48it/s]
35it [00:03,  9.49it/s]
36it [00:03,  9.49it/s]
37it [00:03,  9.47it/s]
38it [00:04,  9.50it/s]
39it [00:04,  9.52it/s]
40it [00:04,  9.56it/s]
41it [00:04,  9.48it/s]
42it [00:04,  9.49it/s]
43it [00:04,  9.52it/s]
44it [00:04,  9.49it/s]
45it [00:04,  9.49it/s]
46it [00:04,  9.49it/s]
47it [00:04,  9.53it/s]
48it [00:05,  9.56it/s]
49it [00:05,  9.51it/s]
50it [00:05,  9.51it/s]
51it [00:05,  9.52it/s]
52it [00:05,  9.48it/s]
53it [00:05,  9.49it/s]
54it [00:05,  9.49it/s]
55it [00:05,  9.52it/s]
56it [00:05,  9.50it/s]
57it [00:06,  9.53it/s]
58it [00:06,  9.51it/s]
59it [00:06,  9.51it/s]
60it [00:06,  9.52it/s]
61it [00:06,  9.50it/s]
62it [00:06,  9.53it/s]
63it [00:06,  9.50it/s]
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Split counts:
	train: 674000
	test: 164000
	validation: 162000
⏰ Completed process in 8:37:29.755922
++ date
+ echo 'Sat  2 Nov 00:33:19 GMT 2024 :: 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-16000000-17000000.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-16000000-17000000.csv.gz
+ split_dir=20241101_peptides_6-12x100M/train
++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-16000000-17000000.csv.gz .csv.gz
+ split_file=20241101_peptides_6-12x100M/train/peptides_length-10_n-100000000_slice-16000000-17000000.csv.gz
+ mkdir -p 20241101_peptides_6-12x100M/train
++ date
+ echo 'Sat  2 Nov 00:33:19 GMT 2024 :: Saving train...'
Sat  2 Nov 00:33:19 GMT 2024 :: Saving train...
+ zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-16000000-17000000.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 00:34:17 GMT 2024 :: 20241101_peptides_6-12x100M/train/peptides_length-10_n-100000000_slice-16000000-17000000.csv.gz'
+ for split in train test validation
++ dirname 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-16000000-17000000.csv.gz
+ split_dir=20241101_peptides_6-12x100M/test
++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-16000000-17000000.csv.gz .csv.gz
+ split_file=20241101_peptides_6-12x100M/test/peptides_length-10_n-100000000_slice-16000000-17000000.csv.gz
+ mkdir -p 20241101_peptides_6-12x100M/test
++ date
+ echo 'Sat  2 Nov 00:34:17 GMT 2024 :: Saving test...'
Sat  2 Nov 00:34:17 GMT 2024 :: Saving test...
+ zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-16000000-17000000.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 00:34:42 GMT 2024 :: 20241101_peptides_6-12x100M/test/peptides_length-10_n-100000000_slice-16000000-17000000.csv.gz'
+ for split in train test validation
++ dirname 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-16000000-17000000.csv.gz
+ split_dir=20241101_peptides_6-12x100M/validation
++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-16000000-17000000.csv.gz .csv.gz
+ split_file=20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-16000000-17000000.csv.gz
+ mkdir -p 20241101_peptides_6-12x100M/validation
++ date
+ echo 'Sat  2 Nov 00:34:42 GMT 2024 :: Saving validation...'
Sat  2 Nov 00:34:42 GMT 2024 :: Saving validation...
+ zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-16000000-17000000.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 00:35:08 GMT 2024 :: 20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-16000000-17000000.csv.gz'
+ '[' -e 20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-16000000-17000000.csv.gz.success ']'
+ rm 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-16000000-17000000.csv.gz 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-16000000-17000000.csv.gz.success
+ set +x
Sat  2 Nov 00:35:08 GMT 2024 > Peptide generation complete