20241101_peptides_6-12x100M_l-10_n-100000000_slice-39000000-40000000.log

Fri  1 Nov 15:59:42 GMT 2024 > Generating peptides on cn004
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 15:59:42 GMT 2024 > Running /camp/apps/eb/software/Anaconda3/2023.03/bin/python : Python 3.10.10
Fri  1 Nov 15:59:42 GMT 2024 > Using Conda from .
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Fri  1 Nov 15:59:42 GMT 2024 > Seed = 1; length = 10; max. number = 100000000; slice = 39000000 to 40000000; output dir. = 20241101_peptides_6-12x100M
Fri  1 Nov 15:59:42 GMT 2024 > There are 10240000000000 peptides of length 10; generating 100000000 (0.000976563 %)
Fri  1 Nov 15:59:42 GMT 2024 > Saving a slice to 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-39000000-40000000.csv.gz...
+ schemist enumerate --seed 1 --max-length 10 --prefix GY --suffix CGSGSGS --number 9.76563e-06 --slice 39000000 40000000
+ 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-
🚀 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 0x7f0437cb34c0>
🚀 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 0x7f447b86f240>
🚀 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 0x7fdb712539c0>
🚀 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: ['39000000', '40000000']
	seed: 1
	prefix: GY
	suffix: CGSGSGS
	type: aa
	d_aa_only: False
	include_d_aa: False
	func: <function _enum at 0x7fb28595b880>
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 0x7f2b7f367240>

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865it [14:48,  1.10it/s]
866it [14:48,  1.10it/s]
867it [14:49,  1.10it/s]
868it [14:50,  1.10it/s]
869it [14:51,  1.10it/s]
870it [14:52,  1.10it/s]
871it [14:53,  1.10it/s]
872it [14:54,  1.10it/s]
873it [14:55,  1.09it/s]
874it [14:56,  1.09it/s]
875it [14:57,  1.09it/s]
876it [14:58,  1.10it/s]
877it [14:58,  1.10it/s]
878it [14:59,  1.10it/s]
879it [15:00,  1.10it/s]
880it [15:01,  1.10it/s]
881it [15:02,  1.10it/s]
882it [15:03,  1.10it/s]
883it [15:04,  1.10it/s]
884it [15:05,  1.10it/s]
885it [15:06,  1.10it/s]
886it [15:07,  1.10it/s]
887it [15:08,  1.11it/s]
888it [15:08,  1.11it/s]
889it [15:09,  1.10it/s]
890it [15:10,  1.10it/s]
891it [15:11,  1.10it/s]
892it [15:12,  1.10it/s]
893it [15:13,  1.10it/s]
894it [15:14,  1.09it/s]
895it [15:15,  1.08it/s]
896it [15:16,  1.09it/s]
897it [15:17,  1.09it/s]
898it [15:18,  1.10it/s]
899it [15:18,  1.10it/s]
900it [15:19,  1.10it/s]
901it [15:20,  1.10it/s]
902it [15:21,  1.10it/s]
903it [15:22,  1.10it/s]
904it [15:23,  1.09it/s]
905it [15:24,  1.09it/s]
906it [15:25,  1.09it/s]
907it [15:26,  1.09it/s]
908it [15:27,  1.10it/s]
909it [15:28,  1.10it/s]
910it [15:29,  1.11it/s]
911it [15:29,  1.11it/s]
912it [15:30,  1.10it/s]
913it [15:31,  1.10it/s]
914it [15:32,  1.11it/s]
915it [15:33,  1.11it/s]
916it [15:34,  1.10it/s]
917it [15:35,  1.09it/s]
918it [15:36,  1.09it/s]
919it [15:37,  1.09it/s]
920it [15:38,  1.09it/s]
921it [15:39,  1.09it/s]
922it [15:39,  1.10it/s]
923it [15:40,  1.10it/s]
924it [15:41,  1.09it/s]
925it [15:42,  1.07it/s]
926it [15:43,  1.07it/s]
927it [15:44,  1.07it/s]
928it [15:45,  1.06it/s]
929it [15:46,  1.05it/s]
930it [15:47,  1.05it/s]
931it [15:48,  1.07it/s]
932it [15:49,  1.08it/s]
933it [15:50,  1.07it/s]
934it [15:51,  1.06it/s]
935it [15:52,  1.06it/s]
936it [15:53,  1.05it/s]
937it [15:54,  1.07it/s]
938it [15:54,  1.07it/s]
939it [15:55,  1.10it/s]
940it [15:56,  1.10it/s]
941it [15:57,  1.10it/s]
942it [15:58,  1.09it/s]
943it [15:59,  1.09it/s]
944it [16:00,  1.09it/s]
945it [16:01,  1.09it/s]
946it [16:02,  1.09it/s]
947it [16:03,  1.09it/s]
948it [16:04,  1.10it/s]
949it [16:05,  1.09it/s]
950it [16:05,  1.09it/s]
951it [16:06,  1.10it/s]
952it [16:07,  1.11it/s]
953it [16:08,  1.11it/s]
954it [16:09,  1.10it/s]
955it [16:10,  1.11it/s]
956it [16:11,  1.09it/s]
957it [16:12,  1.09it/s]
958it [16:13,  1.08it/s]
959it [16:14,  1.08it/s]
960it [16:15,  1.08it/s]
961it [16:15,  1.08it/s]
962it [16:16,  1.08it/s]
963it [16:17,  1.09it/s]
964it [16:18,  1.10it/s]
965it [16:19,  1.10it/s]
966it [16:20,  1.09it/s]
967it [16:21,  1.09it/s]
968it [16:22,  1.10it/s]
969it [16:23,  1.10it/s]
970it [16:24,  1.10it/s]
971it [16:25,  1.10it/s]
972it [16:26,  1.09it/s]
973it [16:26,  1.09it/s]
974it [16:27,  1.09it/s]
975it [16:28,  1.09it/s]
976it [16:29,  1.08it/s]
977it [16:30,  1.09it/s]
978it [16:31,  1.10it/s]
979it [16:32,  1.09it/s]
980it [16:33,  1.10it/s]
981it [16:34,  1.10it/s]
982it [16:35,  1.10it/s]
983it [16:36,  1.08it/s]
984it [16:37,  1.08it/s]
985it [16:37,  1.08it/s]
986it [16:38,  1.09it/s]
987it [16:39,  1.08it/s]
988it [16:40,  1.09it/s]
989it [16:41,  1.09it/s]
990it [16:42,  1.09it/s]
991it [16:43,  1.09it/s]
992it [16:44,  1.10it/s]
993it [16:45,  1.05it/s]
994it [16:46,  1.06it/s]
995it [16:47,  1.08it/s]
996it [16:48,  1.08it/s]
997it [16:49,  1.02s/it]
998it [16:50,  1.01it/s]
999it [16:51,  1.01it/s]
1000it [16:52,  1.03it/s]
1000it [16:52,  1.01s/it]
Enumerated peptides:
	Number of peptides: 1000000
Conversion errors:
	SMILES: 0
⏰ Completed process in 0:16:52.251232

0it [00:00, ?it/s]
1it [00:10, 10.33s/it]
2it [00:20, 10.27s/it]
3it [00:30, 10.21s/it]
4it [00:40, 10.18s/it]
5it [00:51, 10.20s/it]
6it [01:01, 10.25s/it]
7it [01:11, 10.24s/it]
8it [01:21, 10.25s/it]
9it [01:32, 10.23s/it]
10it [01:42, 10.21s/it]
11it [01:52, 10.20s/it]
12it [02:02, 10.18s/it]
13it [02:12, 10.17s/it]
14it [02:22, 10.15s/it]
15it [02:32, 10.14s/it]
16it [02:43, 10.14s/it]
17it [02:53, 10.12s/it]
18it [03:03, 10.12s/it]
19it [03:13, 10.11s/it]
20it [03:23, 10.11s/it]
21it [03:33, 10.09s/it]
22it [03:43, 10.09s/it]
23it [03:53, 10.10s/it]
24it [04:03, 10.13s/it]
25it [04:14, 10.12s/it]
26it [04:24, 10.13s/it]
27it [04:34, 10.13s/it]
28it [04:44, 10.11s/it]
29it [04:54, 10.10s/it]
30it [05:04, 10.09s/it]
31it [05:14, 10.08s/it]
32it [05:24, 10.11s/it]
33it [05:34, 10.10s/it]
34it [05:44, 10.10s/it]
35it [05:54, 10.07s/it]
36it [06:05, 10.07s/it]
37it [06:15, 10.06s/it]
38it [06:25, 10.06s/it]
39it [06:35, 10.06s/it]
40it [06:45, 10.07s/it]
41it [06:55, 10.06s/it]
42it [07:05, 10.08s/it]
43it [07:15, 10.08s/it]
44it [07:25, 10.09s/it]
45it [07:35, 10.08s/it]
46it [07:45, 10.09s/it]
47it [07:55, 10.08s/it]
48it [08:05, 10.07s/it]
49it [08:15, 10.07s/it]
50it [08:26, 10.08s/it]
51it [08:36, 10.08s/it]
52it [08:46, 10.07s/it]
53it [08:56, 10.06s/it]
54it [09:06, 10.06s/it]
55it [09:16, 10.05s/it]
56it [09:26, 10.05s/it]
57it [09:36, 10.06s/it]
58it [09:46, 10.06s/it]
59it [09:56, 10.06s/it]
60it [10:06, 10.08s/it]
61it [10:16, 10.07s/it]
62it [10:26, 10.08s/it]
63it [10:36, 10.05s/it]
64it [10:46, 10.04s/it]
65it [10:56, 10.02s/it]
66it [11:06, 10.01s/it]
67it [11:16, 10.01s/it]
68it [11:26, 10.01s/it]
69it [11:36, 10.00s/it]
70it [11:46, 10.01s/it]
71it [11:56, 10.02s/it]
72it [12:06, 10.02s/it]
73it [12:16, 10.01s/it]
74it [12:26, 10.01s/it]
75it [12:36, 10.02s/it]
76it [12:46, 10.00s/it]
77it [12:56, 10.01s/it]
78it [13:07, 10.03s/it]
79it [13:17, 10.03s/it]
80it [13:27, 10.03s/it]
81it [13:37, 10.02s/it]
82it [13:47, 10.03s/it]
83it [13:57, 10.03s/it]
84it [14:07, 10.02s/it]
85it [14:17, 10.01s/it]
86it [14:27, 10.01s/it]
87it [14:37, 10.00s/it]
88it [14:47, 10.00s/it]
89it [14:57, 10.00s/it]
90it [15:07, 10.02s/it]
91it [15:17, 10.02s/it]
92it [15:27, 10.00s/it]
93it [15:37, 10.03s/it]
94it [15:47, 10.03s/it]
95it [15:57, 10.02s/it]
96it [16:07, 10.05s/it]
97it [16:17, 10.03s/it]
98it [16:27, 10.04s/it]
99it [16:37, 10.02s/it]
100it [16:47, 10.01s/it]
101it [16:57, 10.01s/it]
102it [17:07, 10.00s/it]
103it [17:17, 10.02s/it]
104it [17:27, 10.02s/it]
105it [17:37, 10.02s/it]
106it [17:47, 10.01s/it]
107it [17:57, 10.01s/it]
108it [18:07, 10.01s/it]
109it [18:17, 10.01s/it]
110it [18:27, 10.01s/it]
111it [18:37, 10.00s/it]
112it [18:47, 10.02s/it]
113it [18:57, 10.04s/it]
114it [19:07, 10.04s/it]
115it [19:17, 10.04s/it]
116it [19:27, 10.06s/it]
117it [19:37, 10.07s/it]
118it [19:47, 10.04s/it]
119it [19:57, 10.04s/it]
120it [20:08, 10.04s/it]
121it [20:18, 10.05s/it]
122it [20:28, 10.05s/it]
123it [20:38, 10.04s/it]
124it [20:48, 10.02s/it]
125it [20:58, 10.03s/it]
126it [21:08, 10.01s/it]
127it [21:18, 10.01s/it]
128it [21:28, 10.01s/it]
129it [21:38,  9.99s/it]
130it [21:48, 10.01s/it]
131it [21:58, 10.06s/it]
132it [22:08, 10.09s/it]
133it [22:18, 10.08s/it]
134it [22:28, 10.10s/it]
135it [22:38, 10.11s/it]
136it [22:48, 10.07s/it]
137it [22:58, 10.05s/it]
138it [23:08, 10.03s/it]
139it [23:18, 10.03s/it]
140it [23:28, 10.03s/it]
141it [23:38, 10.03s/it]
142it [23:48, 10.04s/it]
143it [23:59, 10.04s/it]
144it [24:09, 10.04s/it]
145it [24:19, 10.04s/it]
146it [24:29, 10.05s/it]
147it [24:39, 10.04s/it]
148it [24:49, 10.04s/it]
149it [24:59, 10.04s/it]
150it [25:09, 10.06s/it]
151it [25:19, 10.08s/it]
152it [25:29, 10.09s/it]
153it [25:39, 10.08s/it]
154it [25:49, 10.05s/it]
155it [25:59, 10.06s/it]
156it [26:09, 10.05s/it]
157it [26:19, 10.06s/it]
158it [26:29, 10.06s/it]
159it [26:39, 10.06s/it]
160it [26:49, 10.04s/it]
161it [26:59, 10.05s/it]
162it [27:10, 10.04s/it]
163it [27:20, 10.05s/it]
164it [27:30, 10.04s/it]
165it [27:40, 10.04s/it]
166it [27:50, 10.03s/it]
167it [28:00, 10.05s/it]
168it [28:10, 10.05s/it]
169it [28:20, 10.05s/it]
170it [28:30, 10.04s/it]
171it [28:40, 10.05s/it]
172it [28:50, 10.07s/it]
173it [29:00, 10.07s/it]
174it [29:10, 10.06s/it]
175it [29:20, 10.05s/it]
176it [29:30, 10.04s/it]
177it [29:40, 10.02s/it]
178it [29:50, 10.01s/it]
179it [30:00, 10.00s/it]
180it [30:10, 10.01s/it]
181it [30:20, 10.00s/it]
182it [30:30, 10.00s/it]
183it [30:40, 10.06s/it]
184it [30:51, 10.12s/it]
185it [31:01, 10.16s/it]
186it [31:11, 10.20s/it]
187it [31:21, 10.22s/it]
188it [31:32, 10.25s/it]
189it [31:42, 10.25s/it]
190it [31:52, 10.22s/it]
191it [32:02, 10.15s/it]
192it [32:12, 10.13s/it]
193it [32:22, 10.10s/it]
194it [32:32, 10.12s/it]
195it [32:42, 10.10s/it]
196it [32:53, 10.13s/it]
197it [33:03, 10.16s/it]
198it [33:13, 10.17s/it]
199it [33:23, 10.17s/it]
200it [33:33, 10.18s/it]
201it [33:44, 10.17s/it]
202it [33:54, 10.19s/it]
203it [34:04, 10.18s/it]
204it [34:14, 10.16s/it]
205it [34:24, 10.15s/it]
206it [34:34, 10.14s/it]
207it [34:44, 10.13s/it]
208it [34:55, 10.14s/it]
209it [35:05, 10.13s/it]
210it [35:15, 10.11s/it]
211it [35:25, 10.11s/it]
212it [35:35, 10.12s/it]
213it [35:45, 10.11s/it]
214it [35:55, 10.10s/it]
215it [36:05, 10.10s/it]
216it [36:15, 10.10s/it]
217it [36:26, 10.11s/it]
218it [36:36, 10.13s/it]
219it [36:46, 10.11s/it]
220it [36:56, 10.10s/it]
221it [37:06, 10.10s/it]
222it [37:16, 10.09s/it]
223it [37:26, 10.08s/it]
224it [37:36, 10.08s/it]
225it [37:46, 10.06s/it]
226it [37:56, 10.08s/it]
227it [38:06, 10.07s/it]
228it [38:16, 10.06s/it]
229it [38:26, 10.07s/it]
230it [38:37, 10.06s/it]
231it [38:47, 10.06s/it]
232it [38:57, 10.07s/it]
233it [39:07, 10.05s/it]
234it [39:17, 10.06s/it]
235it [39:27, 10.04s/it]
236it [39:37, 10.05s/it]
237it [39:47, 10.05s/it]
238it [39:57, 10.06s/it]
239it [40:07, 10.09s/it]
240it [40:17, 10.10s/it]
241it [40:27, 10.13s/it]
242it [40:38, 10.14s/it]
243it [40:48, 10.14s/it]
244it [40:58, 10.15s/it]
245it [41:08, 10.14s/it]
246it [41:18, 10.12s/it]
247it [41:28, 10.11s/it]
248it [41:38, 10.10s/it]
249it [41:48, 10.09s/it]
250it [41:58, 10.08s/it]
251it [42:09, 10.09s/it]
252it [42:19, 10.09s/it]
253it [42:29, 10.08s/it]
254it [42:39, 10.08s/it]
255it [42:49, 10.08s/it]
256it [42:59, 10.07s/it]
257it [43:09, 10.08s/it]
258it [43:19, 10.09s/it]
259it [43:29, 10.11s/it]
260it [43:39, 10.12s/it]
261it [43:49, 10.11s/it]
262it [44:00, 10.11s/it]
263it [44:10, 10.09s/it]
264it [44:20, 10.10s/it]
265it [44:30, 10.08s/it]
266it [44:40, 10.10s/it]
267it [44:50, 10.10s/it]
268it [45:00, 10.07s/it]
269it [45:10, 10.08s/it]
270it [45:20, 10.07s/it]
271it [45:30, 10.07s/it]
272it [45:40, 10.06s/it]
273it [45:50, 10.07s/it]
274it [46:00, 10.06s/it]
275it [46:11, 10.08s/it]
276it [46:21, 10.08s/it]
277it [46:31, 10.07s/it]
278it [46:41, 10.07s/it]
279it [46:51, 10.06s/it]
280it [47:01, 10.06s/it]
281it [47:11, 10.06s/it]
282it [47:21, 10.06s/it]
283it [47:31, 10.09s/it]
284it [47:41, 10.13s/it]
285it [47:52, 10.16s/it]
286it [48:02, 10.16s/it]
287it [48:12, 10.15s/it]
288it [48:22, 10.17s/it]
289it [48:32, 10.18s/it]
290it [48:42, 10.19s/it]
291it [48:53, 10.19s/it]
292it [49:03, 10.20s/it]
293it [49:13, 10.19s/it]
294it [49:23, 10.18s/it]
295it [49:33, 10.18s/it]
296it [49:44, 10.16s/it]
297it [49:54, 10.19s/it]
298it [50:04, 10.18s/it]
299it [50:14, 10.18s/it]
300it [50:24, 10.15s/it]
301it [50:34, 10.16s/it]
302it [50:45, 10.17s/it]
303it [50:55, 10.15s/it]
304it [51:05, 10.17s/it]
305it [51:15, 10.18s/it]
306it [51:25, 10.15s/it]
307it [51:35, 10.15s/it]
308it [51:45, 10.14s/it]
309it [51:56, 10.12s/it]
310it [52:06, 10.13s/it]
311it [52:16, 10.13s/it]
312it [52:26, 10.14s/it]
313it [52:36, 10.13s/it]
314it [52:46, 10.13s/it]
315it [52:56, 10.11s/it]
316it [53:06, 10.11s/it]
317it [53:16, 10.11s/it]
318it [53:27, 10.13s/it]
319it [53:37, 10.15s/it]
320it [53:47, 10.15s/it]
321it [53:57, 10.14s/it]
322it [54:07, 10.13s/it]
323it [54:17, 10.13s/it]
324it [54:27, 10.13s/it]
325it [54:38, 10.11s/it]
326it [54:48, 10.13s/it]
327it [54:58, 10.12s/it]
328it [55:08, 10.12s/it]
329it [55:18, 10.14s/it]
330it [55:28, 10.13s/it]
331it [55:38, 10.14s/it]
332it [55:49, 10.15s/it]
333it [55:59, 10.14s/it]
334it [56:09, 10.14s/it]
335it [56:19, 10.15s/it]
336it [56:29, 10.12s/it]
337it [56:39, 10.12s/it]
338it [56:49, 10.14s/it]
339it [56:59, 10.13s/it]
340it [57:10, 10.13s/it]
341it [57:20, 10.13s/it]
342it [57:30, 10.12s/it]
343it [57:40, 10.12s/it]
344it [57:50, 10.10s/it]
345it [58:00, 10.14s/it]
346it [58:10, 10.15s/it]
347it [58:21, 10.16s/it]
348it [58:31, 10.16s/it]
349it [58:41, 10.16s/it]
350it [58:51, 10.16s/it]
351it [59:01, 10.16s/it]
352it [59:11, 10.16s/it]
353it [59:22, 10.18s/it]
354it [59:32, 10.20s/it]
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978it [2:43:45,  9.99s/it]
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986it [2:45:05, 10.00s/it]
987it [2:45:15, 10.01s/it]
988it [2:45:25, 10.06s/it]
989it [2:45:35, 10.04s/it]
990it [2:45:45, 10.01s/it]
991it [2:45:55, 10.01s/it]
992it [2:46:05, 10.03s/it]
993it [2:46:15, 10.03s/it]
994it [2:46:25, 10.03s/it]
995it [2:46:35, 10.02s/it]
996it [2:46:45, 10.02s/it]
997it [2:46:55, 10.01s/it]
998it [2:47:05, 10.01s/it]
999it [2:47:15,  9.99s/it]
1000it [2:47:25,  9.98s/it]
1000it [2:47:25, 10.05s/it]
Error counts:
	linear_id: 0
	linear_inchikey: 0
	linear_scaffold: 0
	linear_mwt: 0
	linear_clogp: 0
	linear_tpsa: 0
⏰ Completed process in 3:04:18.180132

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701it [1:36:01,  8.27s/it]
702it [1:36:09,  8.25s/it]
703it [1:36:17,  8.27s/it]
704it [1:36:25,  8.27s/it]
705it [1:36:34,  8.27s/it]
706it [1:36:42,  8.28s/it]
707it [1:36:50,  8.27s/it]
708it [1:36:59,  8.26s/it]
709it [1:37:07,  8.26s/it]
710it [1:37:15,  8.25s/it]
711it [1:37:23,  8.25s/it]
712it [1:37:32,  8.25s/it]
713it [1:37:40,  8.25s/it]
714it [1:37:48,  8.25s/it]
715it [1:37:56,  8.23s/it]
716it [1:38:04,  8.23s/it]
717it [1:38:13,  8.22s/it]
718it [1:38:21,  8.21s/it]
719it [1:38:29,  8.23s/it]
720it [1:38:37,  8.24s/it]
721it [1:38:46,  8.22s/it]
722it [1:38:54,  8.21s/it]
723it [1:39:02,  8.22s/it]
724it [1:39:10,  8.22s/it]
725it [1:39:18,  8.22s/it]
726it [1:39:27,  8.22s/it]
727it [1:39:35,  8.22s/it]
728it [1:39:43,  8.20s/it]
729it [1:39:51,  8.22s/it]
730it [1:39:59,  8.19s/it]
731it [1:40:08,  8.18s/it]
732it [1:40:16,  8.21s/it]
733it [1:40:24,  8.21s/it]
734it [1:40:32,  8.23s/it]
735it [1:40:41,  8.23s/it]
736it [1:40:49,  8.24s/it]
737it [1:40:57,  8.23s/it]
738it [1:41:05,  8.24s/it]
739it [1:41:13,  8.21s/it]
740it [1:41:22,  8.23s/it]
741it [1:41:30,  8.21s/it]
742it [1:41:38,  8.21s/it]
743it [1:41:46,  8.21s/it]
744it [1:41:54,  8.20s/it]
745it [1:42:03,  8.20s/it]
746it [1:42:11,  8.20s/it]
747it [1:42:19,  8.22s/it]
748it [1:42:27,  8.24s/it]
749it [1:42:36,  8.26s/it]
750it [1:42:44,  8.27s/it]
751it [1:42:52,  8.29s/it]
752it [1:43:01,  8.30s/it]
753it [1:43:09,  8.30s/it]
754it [1:43:17,  8.31s/it]
755it [1:43:26,  8.31s/it]
756it [1:43:34,  8.30s/it]
757it [1:43:42,  8.31s/it]
758it [1:43:50,  8.31s/it]
759it [1:43:59,  8.31s/it]
760it [1:44:07,  8.32s/it]
761it [1:44:15,  8.33s/it]
762it [1:44:24,  8.33s/it]
763it [1:44:32,  8.33s/it]
764it [1:44:40,  8.33s/it]
765it [1:44:49,  8.33s/it]
766it [1:44:57,  8.34s/it]
767it [1:45:06,  8.34s/it]
768it [1:45:14,  8.32s/it]
769it [1:45:22,  8.32s/it]
770it [1:45:30,  8.30s/it]
771it [1:45:39,  8.31s/it]
772it [1:45:47,  8.27s/it]
773it [1:45:55,  8.26s/it]
774it [1:46:03,  8.25s/it]
775it [1:46:11,  8.22s/it]
776it [1:46:20,  8.20s/it]
777it [1:46:28,  8.20s/it]
778it [1:46:36,  8.19s/it]
779it [1:46:44,  8.21s/it]
780it [1:46:52,  8.21s/it]
781it [1:47:01,  8.21s/it]
782it [1:47:09,  8.21s/it]
783it [1:47:17,  8.21s/it]
784it [1:47:25,  8.21s/it]
785it [1:47:34,  8.22s/it]
786it [1:47:42,  8.22s/it]
787it [1:47:50,  8.24s/it]
788it [1:47:58,  8.24s/it]
789it [1:48:07,  8.24s/it]
790it [1:48:15,  8.22s/it]
791it [1:48:23,  8.21s/it]
792it [1:48:31,  8.19s/it]
793it [1:48:39,  8.19s/it]
794it [1:48:47,  8.19s/it]
795it [1:48:56,  8.17s/it]
796it [1:49:04,  8.17s/it]
797it [1:49:12,  8.17s/it]
798it [1:49:20,  8.17s/it]
799it [1:49:28,  8.18s/it]
800it [1:49:36,  8.17s/it]
801it [1:49:45,  8.19s/it]
802it [1:49:53,  8.21s/it]
803it [1:50:01,  8.21s/it]
804it [1:50:09,  8.23s/it]
805it [1:50:18,  8.23s/it]
806it [1:50:26,  8.22s/it]
807it [1:50:34,  8.23s/it]
808it [1:50:42,  8.26s/it]
809it [1:50:51,  8.25s/it]
810it [1:50:59,  8.24s/it]
811it [1:51:07,  8.26s/it]
812it [1:51:15,  8.28s/it]
813it [1:51:24,  8.27s/it]
814it [1:51:32,  8.25s/it]
815it [1:51:40,  8.26s/it]
816it [1:51:48,  8.25s/it]
817it [1:51:57,  8.26s/it]
818it [1:52:05,  8.28s/it]
819it [1:52:13,  8.31s/it]
820it [1:52:22,  8.32s/it]
821it [1:52:30,  8.32s/it]
822it [1:52:38,  8.30s/it]
823it [1:52:47,  8.28s/it]
824it [1:52:55,  8.29s/it]
825it [1:53:03,  8.29s/it]
826it [1:53:11,  8.29s/it]
827it [1:53:20,  8.29s/it]
828it [1:53:28,  8.30s/it]
829it [1:53:36,  8.30s/it]
830it [1:53:45,  8.29s/it]
831it [1:53:53,  8.31s/it]
832it [1:54:01,  8.30s/it]
833it [1:54:10,  8.31s/it]
834it [1:54:18,  8.30s/it]
835it [1:54:26,  8.30s/it]
836it [1:54:35,  8.31s/it]
837it [1:54:43,  8.30s/it]
838it [1:54:51,  8.30s/it]
839it [1:54:59,  8.30s/it]
840it [1:55:08,  8.31s/it]
841it [1:55:16,  8.31s/it]
842it [1:55:24,  8.29s/it]
843it [1:55:33,  8.29s/it]
844it [1:55:41,  8.29s/it]
845it [1:55:49,  8.29s/it]
846it [1:55:58,  8.30s/it]
847it [1:56:06,  8.31s/it]
848it [1:56:14,  8.30s/it]
849it [1:56:22,  8.32s/it]
850it [1:56:31,  8.33s/it]
851it [1:56:39,  8.33s/it]
852it [1:56:47,  8.31s/it]
853it [1:56:56,  8.32s/it]
854it [1:57:04,  8.32s/it]
855it [1:57:12,  8.32s/it]
856it [1:57:21,  8.32s/it]
857it [1:57:29,  8.32s/it]
858it [1:57:37,  8.29s/it]
859it [1:57:46,  8.30s/it]
860it [1:57:54,  8.31s/it]
861it [1:58:02,  8.31s/it]
862it [1:58:11,  8.31s/it]
863it [1:58:19,  8.30s/it]
864it [1:58:27,  8.30s/it]
865it [1:58:35,  8.31s/it]
866it [1:58:44,  8.30s/it]
867it [1:58:52,  8.30s/it]
868it [1:59:00,  8.31s/it]
869it [1:59:09,  8.31s/it]
870it [1:59:17,  8.31s/it]
871it [1:59:25,  8.29s/it]
872it [1:59:34,  8.31s/it]
873it [1:59:42,  8.30s/it]
874it [1:59:50,  8.29s/it]
875it [1:59:58,  8.31s/it]
876it [2:00:07,  8.31s/it]
877it [2:00:15,  8.31s/it]
878it [2:00:23,  8.30s/it]
879it [2:00:32,  8.29s/it]
880it [2:00:40,  8.28s/it]
881it [2:00:48,  8.29s/it]
882it [2:00:57,  8.29s/it]
883it [2:01:05,  8.29s/it]
884it [2:01:13,  8.28s/it]
885it [2:01:21,  8.29s/it]
886it [2:01:30,  8.28s/it]
887it [2:01:38,  8.26s/it]
888it [2:01:46,  8.25s/it]
889it [2:01:54,  8.26s/it]
890it [2:02:03,  8.27s/it]
891it [2:02:11,  8.26s/it]
892it [2:02:19,  8.27s/it]
893it [2:02:27,  8.28s/it]
894it [2:02:36,  8.27s/it]
895it [2:02:44,  8.29s/it]
896it [2:02:52,  8.29s/it]
897it [2:03:01,  8.29s/it]
898it [2:03:09,  8.29s/it]
899it [2:03:17,  8.28s/it]
900it [2:03:25,  8.27s/it]
901it [2:03:34,  8.29s/it]
902it [2:03:42,  8.28s/it]
903it [2:03:50,  8.29s/it]
904it [2:03:59,  8.31s/it]
905it [2:04:07,  8.32s/it]
906it [2:04:15,  8.31s/it]
907it [2:04:24,  8.32s/it]
908it [2:04:32,  8.33s/it]
909it [2:04:40,  8.34s/it]
910it [2:04:49,  8.33s/it]
911it [2:04:57,  8.29s/it]
912it [2:05:05,  8.29s/it]
913it [2:05:13,  8.27s/it]
914it [2:05:22,  8.28s/it]
915it [2:05:30,  8.28s/it]
916it [2:05:38,  8.29s/it]
917it [2:05:47,  8.32s/it]
918it [2:05:55,  8.31s/it]
919it [2:06:03,  8.31s/it]
920it [2:06:12,  8.31s/it]
921it [2:06:20,  8.31s/it]
922it [2:06:28,  8.29s/it]
923it [2:06:36,  8.29s/it]
924it [2:06:45,  8.28s/it]
925it [2:06:53,  8.28s/it]
926it [2:07:01,  8.26s/it]
927it [2:07:09,  8.26s/it]
928it [2:07:18,  8.26s/it]
929it [2:07:26,  8.27s/it]
930it [2:07:34,  8.26s/it]
931it [2:07:42,  8.26s/it]
932it [2:07:51,  8.27s/it]
933it [2:07:59,  8.27s/it]
934it [2:08:07,  8.28s/it]
935it [2:08:16,  8.31s/it]
936it [2:08:24,  8.30s/it]
937it [2:08:32,  8.29s/it]
938it [2:08:41,  8.30s/it]
939it [2:08:49,  8.32s/it]
940it [2:08:57,  8.32s/it]
941it [2:09:06,  8.31s/it]
942it [2:09:14,  8.28s/it]
943it [2:09:22,  8.27s/it]
944it [2:09:30,  8.27s/it]
945it [2:09:39,  8.28s/it]
946it [2:09:47,  8.27s/it]
947it [2:09:55,  8.25s/it]
948it [2:10:03,  8.26s/it]
949it [2:10:12,  8.25s/it]
950it [2:10:20,  8.25s/it]
951it [2:10:28,  8.25s/it]
952it [2:10:36,  8.25s/it]
953it [2:10:45,  8.25s/it]
954it [2:10:53,  8.26s/it]
955it [2:11:01,  8.26s/it]
956it [2:11:09,  8.26s/it]
957it [2:11:18,  8.25s/it]
958it [2:11:26,  8.26s/it]
959it [2:11:34,  8.26s/it]
960it [2:11:42,  8.25s/it]
961it [2:11:51,  8.26s/it]
962it [2:11:59,  8.27s/it]
963it [2:12:07,  8.25s/it]
964it [2:12:15,  8.24s/it]
965it [2:12:24,  8.25s/it]
966it [2:12:32,  8.25s/it]
967it [2:12:40,  8.24s/it]
968it [2:12:48,  8.24s/it]
969it [2:12:57,  8.23s/it]
970it [2:13:05,  8.23s/it]
971it [2:13:13,  8.24s/it]
972it [2:13:21,  8.24s/it]
973it [2:13:30,  8.25s/it]
974it [2:13:38,  8.25s/it]
975it [2:13:46,  8.25s/it]
976it [2:13:54,  8.25s/it]
977it [2:14:03,  8.24s/it]
978it [2:14:11,  8.24s/it]
979it [2:14:19,  8.26s/it]
980it [2:14:27,  8.25s/it]
981it [2:14:36,  8.25s/it]
982it [2:14:44,  8.24s/it]
983it [2:14:52,  8.23s/it]
984it [2:15:00,  8.22s/it]
985it [2:15:08,  8.23s/it]
986it [2:15:17,  8.22s/it]
987it [2:15:25,  8.23s/it]
988it [2:15:33,  8.22s/it]
989it [2:15:41,  8.22s/it]
990it [2:15:49,  8.20s/it]
991it [2:15:58,  8.21s/it]
992it [2:16:06,  8.22s/it]
993it [2:16:14,  8.23s/it]
994it [2:16:22,  8.23s/it]
995it [2:16:31,  8.24s/it]
996it [2:16:39,  8.23s/it]
997it [2:16:47,  8.22s/it]
998it [2:16:55,  8.23s/it]
999it [2:17:04,  8.24s/it]
1000it [2:17:12,  8.24s/it]
1000it [2:17:12,  8.23s/it]
Error counts:
	cysteine_to_N_cyclization: 0
⏰ Completed process in 5:21:31.144292

0it [00:00, ?it/s]
1it [00:10, 10.67s/it]
2it [00:21, 10.57s/it]
3it [00:31, 10.54s/it]
4it [00:42, 10.54s/it]
5it [00:52, 10.55s/it]
6it [01:03, 10.58s/it]
7it [01:14, 10.59s/it]
8it [01:24, 10.58s/it]
9it [01:35, 10.58s/it]
10it [01:45, 10.57s/it]
11it [01:56, 10.58s/it]
12it [02:06, 10.58s/it]
13it [02:17, 10.59s/it]
14it [02:28, 10.59s/it]
15it [02:38, 10.58s/it]
16it [02:49, 10.57s/it]
17it [02:59, 10.57s/it]
18it [03:10, 10.58s/it]
19it [03:20, 10.56s/it]
20it [03:31, 10.56s/it]
21it [03:42, 10.56s/it]
22it [03:52, 10.54s/it]
23it [04:03, 10.55s/it]
24it [04:13, 10.57s/it]
25it [04:24, 10.57s/it]
26it [04:34, 10.58s/it]
27it [04:45, 10.57s/it]
28it [04:55, 10.56s/it]
29it [05:06, 10.57s/it]
30it [05:17, 10.57s/it]
31it [05:27, 10.56s/it]
32it [05:38, 10.58s/it]
33it [05:48, 10.57s/it]
34it [05:59, 10.56s/it]
35it [06:09, 10.56s/it]
36it [06:20, 10.56s/it]
37it [06:31, 10.57s/it]
38it [06:41, 10.58s/it]
39it [06:52, 10.56s/it]
40it [07:02, 10.58s/it]
41it [07:13, 10.57s/it]
42it [07:23, 10.57s/it]
43it [07:34, 10.57s/it]
44it [07:45, 10.59s/it]
45it [07:55, 10.58s/it]
46it [08:06, 10.58s/it]
47it [08:16, 10.57s/it]
48it [08:27, 10.55s/it]
49it [08:37, 10.56s/it]
50it [08:48, 10.56s/it]
51it [08:59, 10.57s/it]
52it [09:09, 10.56s/it]
53it [09:20, 10.54s/it]
54it [09:30, 10.55s/it]
55it [09:41, 10.53s/it]
56it [09:51, 10.53s/it]
57it [10:02, 10.55s/it]
58it [10:12, 10.54s/it]
59it [10:23, 10.55s/it]
60it [10:33, 10.57s/it]
61it [10:44, 10.56s/it]
62it [10:55, 10.56s/it]
63it [11:05, 10.56s/it]
64it [11:16, 10.56s/it]
65it [11:26, 10.54s/it]
66it [11:37, 10.54s/it]
67it [11:47, 10.54s/it]
68it [11:58, 10.55s/it]
69it [12:08, 10.54s/it]
70it [12:19, 10.55s/it]
71it [12:30, 10.56s/it]
72it [12:40, 10.56s/it]
73it [12:51, 10.55s/it]
74it [13:01, 10.55s/it]
75it [13:12, 10.56s/it]
76it [13:22, 10.53s/it]
77it [13:33, 10.55s/it]
78it [13:43, 10.55s/it]
79it [13:54, 10.57s/it]
80it [14:05, 10.57s/it]
81it [14:15, 10.55s/it]
82it [14:26, 10.56s/it]
83it [14:36, 10.56s/it]
84it [14:47, 10.56s/it]
85it [14:57, 10.56s/it]
86it [15:08, 10.56s/it]
87it [15:18, 10.55s/it]
88it [15:29, 10.57s/it]
89it [15:39, 10.53s/it]
90it [15:50, 10.56s/it]
91it [16:01, 10.57s/it]
92it [16:11, 10.56s/it]
93it [16:22, 10.59s/it]
94it [16:32, 10.59s/it]
95it [16:43, 10.59s/it]
96it [16:54, 10.61s/it]
97it [17:04, 10.59s/it]
98it [17:15, 10.58s/it]
99it [17:25, 10.57s/it]
100it [17:36, 10.56s/it]
101it [17:47, 10.57s/it]
102it [17:57, 10.55s/it]
103it [18:08, 10.57s/it]
104it [18:18, 10.57s/it]
105it [18:29, 10.58s/it]
106it [18:39, 10.57s/it]
107it [18:50, 10.59s/it]
108it [19:01, 10.60s/it]
109it [19:11, 10.60s/it]
110it [19:22, 10.61s/it]
111it [19:32, 10.59s/it]
112it [19:43, 10.59s/it]
113it [19:54, 10.60s/it]
114it [20:04, 10.59s/it]
115it [20:15, 10.59s/it]
116it [20:25, 10.61s/it]
117it [20:36, 10.63s/it]
118it [20:47, 10.60s/it]
119it [20:57, 10.60s/it]
120it [21:08, 10.60s/it]
121it [21:18, 10.61s/it]
122it [21:29, 10.62s/it]
123it [21:40, 10.61s/it]
124it [21:50, 10.61s/it]
125it [22:01, 10.61s/it]
126it [22:11, 10.60s/it]
127it [22:22, 10.61s/it]
128it [22:33, 10.62s/it]
129it [22:43, 10.60s/it]
130it [22:54, 10.63s/it]
131it [23:05, 10.63s/it]
132it [23:15, 10.62s/it]
133it [23:26, 10.62s/it]
134it [23:37, 10.63s/it]
135it [23:47, 10.63s/it]
136it [23:58, 10.61s/it]
137it [24:08, 10.60s/it]
138it [24:19, 10.59s/it]
139it [24:29, 10.60s/it]
140it [24:40, 10.57s/it]
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617it [1:48:49, 10.57s/it]
618it [1:49:00, 10.58s/it]
619it [1:49:11, 10.57s/it]
620it [1:49:21, 10.59s/it]
621it [1:49:32, 10.59s/it]
622it [1:49:42, 10.58s/it]
623it [1:49:53, 10.58s/it]
624it [1:50:03, 10.57s/it]
625it [1:50:14, 10.56s/it]
626it [1:50:25, 10.57s/it]
627it [1:50:35, 10.56s/it]
628it [1:50:46, 10.55s/it]
629it [1:50:56, 10.55s/it]
630it [1:51:07, 10.53s/it]
631it [1:51:17, 10.54s/it]
632it [1:51:28, 10.53s/it]
633it [1:51:38, 10.54s/it]
634it [1:51:49, 10.54s/it]
635it [1:51:59, 10.53s/it]
636it [1:52:10, 10.53s/it]
637it [1:52:20, 10.54s/it]
638it [1:52:31, 10.55s/it]
639it [1:52:42, 10.56s/it]
640it [1:52:52, 10.56s/it]
641it [1:53:03, 10.56s/it]
642it [1:53:13, 10.55s/it]
643it [1:53:24, 10.57s/it]
644it [1:53:35, 10.59s/it]
645it [1:53:45, 10.57s/it]
646it [1:53:56, 10.58s/it]
647it [1:54:06, 10.58s/it]
648it [1:54:17, 10.59s/it]
649it [1:54:27, 10.60s/it]
650it [1:54:38, 10.59s/it]
651it [1:54:49, 10.59s/it]
652it [1:54:59, 10.57s/it]
653it [1:55:10, 10.55s/it]
654it [1:55:20, 10.57s/it]
655it [1:55:31, 10.57s/it]
656it [1:55:41, 10.57s/it]
657it [1:55:52, 10.56s/it]
658it [1:56:03, 10.57s/it]
659it [1:56:13, 10.57s/it]
660it [1:56:24, 10.58s/it]
661it [1:56:34, 10.59s/it]
662it [1:56:45, 10.56s/it]
663it [1:56:55, 10.56s/it]
664it [1:57:06, 10.56s/it]
665it [1:57:17, 10.57s/it]
666it [1:57:27, 10.57s/it]
667it [1:57:38, 10.55s/it]
668it [1:57:48, 10.56s/it]
669it [1:57:59, 10.56s/it]
670it [1:58:09, 10.56s/it]
671it [1:58:20, 10.59s/it]
672it [1:58:31, 10.58s/it]
673it [1:58:41, 10.57s/it]
674it [1:58:52, 10.57s/it]
675it [1:59:02, 10.57s/it]
676it [1:59:13, 10.57s/it]
677it [1:59:23, 10.57s/it]
678it [1:59:34, 10.56s/it]
679it [1:59:44, 10.56s/it]
680it [1:59:55, 10.56s/it]
681it [2:00:06, 10.56s/it]
682it [2:00:16, 10.57s/it]
683it [2:00:27, 10.56s/it]
684it [2:00:37, 10.55s/it]
685it [2:00:48, 10.55s/it]
686it [2:00:58, 10.57s/it]
687it [2:01:09, 10.55s/it]
688it [2:01:19, 10.55s/it]
689it [2:01:30, 10.55s/it]
690it [2:01:41, 10.55s/it]
691it [2:01:51, 10.56s/it]
692it [2:02:02, 10.57s/it]
693it [2:02:12, 10.56s/it]
694it [2:02:23, 10.56s/it]
695it [2:02:33, 10.55s/it]
696it [2:02:44, 10.54s/it]
697it [2:02:54, 10.55s/it]
698it [2:03:05, 10.53s/it]
699it [2:03:15, 10.54s/it]
700it [2:03:26, 10.55s/it]
701it [2:03:37, 10.58s/it]
702it [2:03:47, 10.58s/it]
703it [2:03:58, 10.56s/it]
704it [2:04:08, 10.56s/it]
705it [2:04:19, 10.55s/it]
706it [2:04:29, 10.57s/it]
707it [2:04:40, 10.59s/it]
708it [2:04:51, 10.66s/it]
709it [2:05:02, 10.65s/it]
710it [2:05:12, 10.63s/it]
711it [2:05:23, 10.61s/it]
712it [2:05:33, 10.61s/it]
713it [2:05:44, 10.61s/it]
714it [2:05:55, 10.61s/it]
715it [2:06:05, 10.60s/it]
716it [2:06:16, 10.59s/it]
717it [2:06:26, 10.57s/it]
718it [2:06:37, 10.56s/it]
719it [2:06:47, 10.57s/it]
720it [2:06:58, 10.56s/it]
721it [2:07:08, 10.55s/it]
722it [2:07:19, 10.54s/it]
723it [2:07:29, 10.54s/it]
724it [2:07:40, 10.55s/it]
725it [2:07:51, 10.56s/it]
726it [2:08:01, 10.56s/it]
727it [2:08:12, 10.58s/it]
728it [2:08:22, 10.57s/it]
729it [2:08:33, 10.57s/it]
730it [2:08:44, 10.60s/it]
731it [2:08:54, 10.63s/it]
732it [2:09:05, 10.66s/it]
733it [2:09:16, 10.63s/it]
734it [2:09:26, 10.61s/it]
735it [2:09:37, 10.60s/it]
736it [2:09:47, 10.61s/it]
737it [2:09:58, 10.58s/it]
738it [2:10:08, 10.59s/it]
739it [2:10:19, 10.55s/it]
740it [2:10:29, 10.56s/it]
741it [2:10:40, 10.55s/it]
742it [2:10:51, 10.56s/it]
743it [2:11:01, 10.56s/it]
744it [2:11:12, 10.56s/it]
745it [2:11:22, 10.55s/it]
746it [2:11:33, 10.55s/it]
747it [2:11:43, 10.57s/it]
748it [2:11:54, 10.57s/it]
749it [2:12:04, 10.55s/it]
750it [2:12:15, 10.56s/it]
751it [2:12:26, 10.56s/it]
752it [2:12:36, 10.57s/it]
753it [2:12:47, 10.57s/it]
754it [2:12:57, 10.56s/it]
755it [2:13:08, 10.55s/it]
756it [2:13:18, 10.54s/it]
757it [2:13:29, 10.54s/it]
758it [2:13:39, 10.54s/it]
759it [2:13:50, 10.54s/it]
760it [2:14:01, 10.54s/it]
761it [2:14:11, 10.54s/it]
762it [2:14:22, 10.55s/it]
763it [2:14:32, 10.55s/it]
764it [2:14:43, 10.58s/it]
765it [2:14:54, 10.61s/it]
766it [2:15:04, 10.61s/it]
767it [2:15:15, 10.60s/it]
768it [2:15:25, 10.58s/it]
769it [2:15:36, 10.58s/it]
770it [2:15:46, 10.58s/it]
771it [2:15:57, 10.58s/it]
772it [2:16:08, 10.56s/it]
773it [2:16:18, 10.56s/it]
774it [2:16:29, 10.54s/it]
775it [2:16:39, 10.53s/it]
776it [2:16:50, 10.53s/it]
777it [2:17:00, 10.53s/it]
778it [2:17:11, 10.54s/it]
779it [2:17:21, 10.55s/it]
780it [2:17:32, 10.55s/it]
781it [2:17:42, 10.53s/it]
782it [2:17:53, 10.51s/it]
783it [2:18:03, 10.52s/it]
784it [2:18:14, 10.52s/it]
785it [2:18:24, 10.53s/it]
786it [2:18:35, 10.54s/it]
787it [2:18:46, 10.55s/it]
788it [2:18:56, 10.55s/it]
789it [2:19:07, 10.57s/it]
790it [2:19:17, 10.57s/it]
791it [2:19:28, 10.57s/it]
792it [2:19:38, 10.55s/it]
793it [2:19:49, 10.55s/it]
794it [2:19:59, 10.56s/it]
795it [2:20:10, 10.56s/it]
796it [2:20:21, 10.54s/it]
797it [2:20:31, 10.56s/it]
798it [2:20:42, 10.56s/it]
799it [2:20:52, 10.57s/it]
800it [2:21:03, 10.56s/it]
801it [2:21:13, 10.56s/it]
802it [2:21:24, 10.57s/it]
803it [2:21:35, 10.57s/it]
804it [2:21:45, 10.59s/it]
805it [2:21:56, 10.56s/it]
806it [2:22:06, 10.55s/it]
807it [2:22:17, 10.55s/it]
808it [2:22:27, 10.55s/it]
809it [2:22:38, 10.55s/it]
810it [2:22:48, 10.55s/it]
811it [2:22:59, 10.53s/it]
812it [2:23:09, 10.54s/it]
813it [2:23:20, 10.52s/it]
814it [2:23:30, 10.50s/it]
815it [2:23:41, 10.52s/it]
816it [2:23:51, 10.51s/it]
817it [2:24:02, 10.52s/it]
818it [2:24:13, 10.52s/it]
819it [2:24:23, 10.52s/it]
820it [2:24:34, 10.53s/it]
821it [2:24:44, 10.53s/it]
822it [2:24:55, 10.53s/it]
823it [2:25:05, 10.54s/it]
824it [2:25:16, 10.52s/it]
825it [2:25:26, 10.52s/it]
826it [2:25:37, 10.54s/it]
827it [2:25:47, 10.53s/it]
828it [2:25:58, 10.56s/it]
829it [2:26:09, 10.58s/it]
830it [2:26:19, 10.58s/it]
831it [2:26:30, 10.58s/it]
832it [2:26:40, 10.56s/it]
833it [2:26:51, 10.55s/it]
834it [2:27:01, 10.56s/it]
835it [2:27:12, 10.57s/it]
836it [2:27:22, 10.56s/it]
837it [2:27:33, 10.54s/it]
838it [2:27:44, 10.59s/it]
839it [2:27:54, 10.58s/it]
840it [2:28:05, 10.58s/it]
841it [2:28:15, 10.57s/it]
842it [2:28:26, 10.54s/it]
843it [2:28:36, 10.55s/it]
844it [2:28:47, 10.54s/it]
845it [2:28:57, 10.54s/it]
846it [2:29:08, 10.54s/it]
847it [2:29:19, 10.55s/it]
848it [2:29:29, 10.56s/it]
849it [2:29:40, 10.58s/it]
850it [2:29:50, 10.57s/it]
851it [2:30:01, 10.60s/it]
852it [2:30:12, 10.59s/it]
853it [2:30:22, 10.58s/it]
854it [2:30:33, 10.59s/it]
855it [2:30:43, 10.60s/it]
856it [2:30:54, 10.60s/it]
857it [2:31:05, 10.60s/it]
858it [2:31:15, 10.57s/it]
859it [2:31:26, 10.56s/it]
860it [2:31:36, 10.56s/it]
861it [2:31:47, 10.55s/it]
862it [2:31:57, 10.56s/it]
863it [2:32:08, 10.56s/it]
864it [2:32:18, 10.56s/it]
865it [2:32:29, 10.56s/it]
866it [2:32:39, 10.55s/it]
867it [2:32:50, 10.55s/it]
868it [2:33:01, 10.55s/it]
869it [2:33:11, 10.55s/it]
870it [2:33:22, 10.56s/it]
871it [2:33:32, 10.54s/it]
872it [2:33:43, 10.55s/it]
873it [2:33:53, 10.55s/it]
874it [2:34:04, 10.54s/it]
875it [2:34:14, 10.54s/it]
876it [2:34:25, 10.54s/it]
877it [2:34:35, 10.55s/it]
878it [2:34:46, 10.54s/it]
879it [2:34:56, 10.53s/it]
880it [2:35:07, 10.54s/it]
881it [2:35:18, 10.54s/it]
882it [2:35:28, 10.55s/it]
883it [2:35:39, 10.56s/it]
884it [2:35:49, 10.54s/it]
885it [2:36:00, 10.54s/it]
886it [2:36:10, 10.53s/it]
887it [2:36:21, 10.51s/it]
888it [2:36:31, 10.51s/it]
889it [2:36:42, 10.53s/it]
890it [2:36:52, 10.54s/it]
891it [2:37:03, 10.55s/it]
892it [2:37:13, 10.53s/it]
893it [2:37:24, 10.56s/it]
894it [2:37:35, 10.57s/it]
895it [2:37:45, 10.56s/it]
896it [2:37:56, 10.57s/it]
897it [2:38:06, 10.57s/it]
898it [2:38:17, 10.56s/it]
899it [2:38:27, 10.56s/it]
900it [2:38:38, 10.55s/it]
901it [2:38:48, 10.53s/it]
902it [2:38:59, 10.53s/it]
903it [2:39:10, 10.53s/it]
904it [2:39:20, 10.54s/it]
905it [2:39:31, 10.56s/it]
906it [2:39:41, 10.57s/it]
907it [2:39:52, 10.57s/it]
908it [2:40:02, 10.56s/it]
909it [2:40:13, 10.55s/it]
910it [2:40:23, 10.55s/it]
911it [2:40:34, 10.53s/it]
912it [2:40:45, 10.53s/it]
913it [2:40:55, 10.54s/it]
914it [2:41:06, 10.57s/it]
915it [2:41:16, 10.56s/it]
916it [2:41:27, 10.56s/it]
917it [2:41:37, 10.57s/it]
918it [2:41:48, 10.54s/it]
919it [2:41:58, 10.55s/it]
920it [2:42:09, 10.55s/it]
921it [2:42:20, 10.56s/it]
922it [2:42:30, 10.57s/it]
923it [2:42:41, 10.56s/it]
924it [2:42:51, 10.55s/it]
925it [2:43:02, 10.55s/it]
926it [2:43:12, 10.53s/it]
927it [2:43:23, 10.54s/it]
928it [2:43:33, 10.54s/it]
929it [2:43:44, 10.55s/it]
930it [2:43:54, 10.55s/it]
931it [2:44:05, 10.55s/it]
932it [2:44:16, 10.56s/it]
933it [2:44:26, 10.58s/it]
934it [2:44:37, 10.59s/it]
935it [2:44:47, 10.59s/it]
936it [2:44:58, 10.59s/it]
937it [2:45:09, 10.55s/it]
938it [2:45:19, 10.56s/it]
939it [2:45:30, 10.56s/it]
940it [2:45:40, 10.55s/it]
941it [2:45:51, 10.57s/it]
942it [2:46:01, 10.54s/it]
943it [2:46:12, 10.54s/it]
944it [2:46:22, 10.53s/it]
945it [2:46:33, 10.53s/it]
946it [2:46:43, 10.53s/it]
947it [2:46:54, 10.53s/it]
948it [2:47:04, 10.54s/it]
949it [2:47:15, 10.54s/it]
950it [2:47:26, 10.55s/it]
951it [2:47:36, 10.54s/it]
952it [2:47:47, 10.56s/it]
953it [2:47:58, 10.66s/it]
954it [2:48:08, 10.66s/it]
955it [2:48:19, 10.65s/it]
956it [2:48:29, 10.63s/it]
957it [2:48:40, 10.59s/it]
958it [2:48:51, 10.60s/it]
959it [2:49:01, 10.58s/it]
960it [2:49:12, 10.58s/it]
961it [2:49:22, 10.58s/it]
962it [2:49:33, 10.57s/it]
963it [2:49:43, 10.56s/it]
964it [2:49:54, 10.57s/it]
965it [2:50:05, 10.57s/it]
966it [2:50:15, 10.56s/it]
967it [2:50:26, 10.55s/it]
968it [2:50:36, 10.53s/it]
969it [2:50:47, 10.54s/it]
970it [2:50:57, 10.53s/it]
971it [2:51:08, 10.52s/it]
972it [2:51:18, 10.54s/it]
973it [2:51:29, 10.53s/it]
974it [2:51:39, 10.53s/it]
975it [2:51:50, 10.53s/it]
976it [2:52:00, 10.54s/it]
977it [2:52:11, 10.51s/it]
978it [2:52:21, 10.52s/it]
979it [2:52:32, 10.52s/it]
980it [2:52:42, 10.54s/it]
981it [2:52:53, 10.54s/it]
982it [2:53:03, 10.51s/it]
983it [2:53:14, 10.52s/it]
984it [2:53:25, 10.53s/it]
985it [2:53:35, 10.53s/it]
986it [2:53:46, 10.53s/it]
987it [2:53:56, 10.54s/it]
988it [2:54:07, 10.53s/it]
989it [2:54:17, 10.54s/it]
990it [2:54:28, 10.54s/it]
991it [2:54:38, 10.54s/it]
992it [2:54:49, 10.56s/it]
993it [2:54:59, 10.57s/it]
994it [2:55:10, 10.57s/it]
995it [2:55:21, 10.57s/it]
996it [2:55:31, 10.56s/it]
997it [2:55:42, 10.55s/it]
998it [2:55:52, 10.55s/it]
999it [2:56:03, 10.54s/it]
1000it [2:56:13, 10.54s/it]
1000it [2:56:13, 10.57s/it]
Error counts:
	cyclic_id: 0
	cyclic_inchikey: 0
	cyclic_scaffold: 0
	cyclic_mwt: 0
	cyclic_clogp: 0
	cyclic_tpsa: 0
⏰ Completed process in 8:17:45.861933

0it [00:00, ?it/s]
1it [00:00,  4.92it/s]
2it [00:00,  6.80it/s]
3it [00:00,  7.86it/s]
4it [00:00,  8.41it/s]
5it [00:00,  8.82it/s]
6it [00:00,  9.07it/s]
7it [00:00,  9.24it/s]
8it [00:00,  9.33it/s]
9it [00:01,  9.44it/s]
10it [00:01,  9.52it/s]
11it [00:01,  9.53it/s]
12it [00:01,  9.54it/s]
13it [00:01,  9.57it/s]
14it [00:01,  9.64it/s]
15it [00:01,  9.62it/s]
16it [00:01,  9.60it/s]
17it [00:01,  9.62it/s]
18it [00:01,  9.63it/s]
19it [00:02,  9.63it/s]
20it [00:02,  9.62it/s]
21it [00:02,  9.64it/s]
22it [00:02,  9.63it/s]
23it [00:02,  9.64it/s]
24it [00:02,  9.59it/s]
25it [00:02,  9.61it/s]
26it [00:02,  9.61it/s]
27it [00:02,  9.57it/s]
28it [00:03,  9.57it/s]
29it [00:03,  9.60it/s]
30it [00:03,  9.62it/s]
31it [00:03,  9.61it/s]
32it [00:03,  9.58it/s]
33it [00:03,  9.58it/s]
34it [00:03,  9.60it/s]
35it [00:03,  9.60it/s]
36it [00:03,  9.62it/s]
37it [00:03,  9.59it/s]
38it [00:04,  9.61it/s]
39it [00:04,  9.62it/s]
40it [00:04,  9.65it/s]
41it [00:04,  9.61it/s]
42it [00:04,  9.58it/s]
43it [00:04,  9.59it/s]
44it [00:04,  9.59it/s]
45it [00:04,  9.63it/s]
46it [00:04,  9.60it/s]
47it [00:04,  9.62it/s]
48it [00:05,  9.63it/s]
49it [00:05,  9.63it/s]
50it [00:05,  9.65it/s]
51it [00:05,  9.62it/s]
52it [00:05,  9.64it/s]
53it [00:05,  9.62it/s]
54it [00:05,  9.61it/s]
55it [00:05,  9.61it/s]
56it [00:05,  9.61it/s]
57it [00:06,  9.62it/s]
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Split counts:
	train: 674000
	test: 164000
	validation: 162000
⏰ Completed process in 8:19:31.698005
++ date
+ echo 'Sat  2 Nov 00:19:30 GMT 2024 :: 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-39000000-40000000.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-39000000-40000000.csv.gz
+ split_dir=20241101_peptides_6-12x100M/train
++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-39000000-40000000.csv.gz .csv.gz
+ split_file=20241101_peptides_6-12x100M/train/peptides_length-10_n-100000000_slice-39000000-40000000.csv.gz
+ mkdir -p 20241101_peptides_6-12x100M/train
++ date
+ echo 'Sat  2 Nov 00:19:30 GMT 2024 :: Saving train...'
Sat  2 Nov 00:19:30 GMT 2024 :: Saving train...
+ zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-39000000-40000000.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 00:20:28 GMT 2024 :: 20241101_peptides_6-12x100M/train/peptides_length-10_n-100000000_slice-39000000-40000000.csv.gz'
+ for split in train test validation
++ dirname 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-39000000-40000000.csv.gz
+ split_dir=20241101_peptides_6-12x100M/test
++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-39000000-40000000.csv.gz .csv.gz
+ split_file=20241101_peptides_6-12x100M/test/peptides_length-10_n-100000000_slice-39000000-40000000.csv.gz
+ mkdir -p 20241101_peptides_6-12x100M/test
++ date
+ echo 'Sat  2 Nov 00:20:28 GMT 2024 :: Saving test...'
Sat  2 Nov 00:20:28 GMT 2024 :: Saving test...
+ zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-39000000-40000000.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 00:20:53 GMT 2024 :: 20241101_peptides_6-12x100M/test/peptides_length-10_n-100000000_slice-39000000-40000000.csv.gz'
+ for split in train test validation
++ dirname 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-39000000-40000000.csv.gz
+ split_dir=20241101_peptides_6-12x100M/validation
++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-39000000-40000000.csv.gz .csv.gz
+ split_file=20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-39000000-40000000.csv.gz
+ mkdir -p 20241101_peptides_6-12x100M/validation
++ date
+ echo 'Sat  2 Nov 00:20:53 GMT 2024 :: Saving validation...'
Sat  2 Nov 00:20:53 GMT 2024 :: Saving validation...
+ zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-39000000-40000000.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 00:21:19 GMT 2024 :: 20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-39000000-40000000.csv.gz'
+ '[' -e 20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-39000000-40000000.csv.gz.success ']'
+ rm 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-39000000-40000000.csv.gz 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-39000000-40000000.csv.gz.success
+ set +x
Sat  2 Nov 00:21:19 GMT 2024 > Peptide generation complete