20241101_peptides_6-12x100M_l-10_n-100000000_slice-23000000-24000000.log

Fri  1 Nov 15:57:41 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 15:57:41 GMT 2024 > Running /camp/apps/eb/software/Anaconda3/2023.03/bin/python : Python 3.10.10
Fri  1 Nov 15:57:41 GMT 2024 > Using Conda from .
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Fri  1 Nov 15:57:41 GMT 2024 > Seed = 1; length = 10; max. number = 100000000; slice = 23000000 to 24000000; output dir. = 20241101_peptides_6-12x100M
Fri  1 Nov 15:57:41 GMT 2024 > There are 10240000000000 peptides of length 10; generating 100000000 (0.000976563 %)
Fri  1 Nov 15:57:41 GMT 2024 > Saving a slice to 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-23000000-24000000.csv.gz...
+ schemist enumerate --seed 1 --max-length 10 --prefix GY --suffix CGSGSGS --number 9.76563e-06 --slice 23000000 24000000
+ 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
+ gzip --best
+ schemist split --type random --train 0.7 --test 0.15 --column cysteine_to_N_cyclization --seed 1
+ tr '	' ,
+ schemist convert --column SMILES --to id inchikey scaffold mwt clogp tpsa --prefix linear_ --options prefix=SCB-
🚀 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: ['23000000', '24000000']
	seed: 1
	prefix: GY
	suffix: CGSGSGS
	type: aa
	d_aa_only: False
	include_d_aa: False
	func: <function _enum at 0x7fc81ca87880>
Sampling 100000051 (0.000976562998046875 %) peptides from length 10 to 10 (10240000000000 combinations). Probability of collision if drawing randomly is 1.0, with 976.9924758407456 (0.000976991977574837 %) collisions on average.
> Executing naive sampling. 
🚀 Splitting table with the following parameters:
	subcommand: split
	output: <_io.TextIOWrapper name='<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 0x7fe7878b34c0>
🚀 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 0x7f8aef063240>
🚀 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 0x7fe8c1beb9c0>
🚀 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 0x7efce938b240>

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865it [14:14,  1.09it/s]
866it [14:15,  1.09it/s]
867it [14:16,  1.09it/s]
868it [14:17,  1.09it/s]
869it [14:18,  1.09it/s]
870it [14:18,  1.09it/s]
871it [14:19,  1.09it/s]
872it [14:20,  1.09it/s]
873it [14:21,  1.08it/s]
874it [14:22,  1.08it/s]
875it [14:23,  1.08it/s]
876it [14:24,  1.08it/s]
877it [14:25,  1.08it/s]
878it [14:26,  1.08it/s]
879it [14:27,  1.08it/s]
880it [14:28,  1.08it/s]
881it [14:29,  1.08it/s]
882it [14:30,  1.09it/s]
883it [14:30,  1.09it/s]
884it [14:31,  1.09it/s]
885it [14:32,  1.09it/s]
886it [14:33,  1.09it/s]
887it [14:34,  1.10it/s]
888it [14:35,  1.10it/s]
889it [14:36,  1.09it/s]
890it [14:37,  1.09it/s]
891it [14:38,  1.09it/s]
892it [14:39,  1.10it/s]
893it [14:40,  1.09it/s]
894it [14:40,  1.10it/s]
895it [14:41,  1.10it/s]
896it [14:42,  1.10it/s]
897it [14:43,  1.09it/s]
898it [14:44,  1.09it/s]
899it [14:45,  1.09it/s]
900it [14:46,  1.09it/s]
901it [14:47,  1.09it/s]
902it [14:48,  1.10it/s]
903it [14:49,  1.09it/s]
904it [14:50,  1.09it/s]
905it [14:51,  1.09it/s]
906it [14:51,  1.09it/s]
907it [14:52,  1.09it/s]
908it [14:53,  1.09it/s]
909it [14:54,  1.10it/s]
910it [14:55,  1.10it/s]
911it [14:56,  1.10it/s]
912it [14:57,  1.09it/s]
913it [14:58,  1.09it/s]
914it [14:59,  1.09it/s]
915it [15:00,  1.09it/s]
916it [15:01,  1.10it/s]
917it [15:02,  1.09it/s]
918it [15:02,  1.09it/s]
919it [15:03,  1.09it/s]
920it [15:04,  1.09it/s]
921it [15:05,  1.09it/s]
922it [15:06,  1.09it/s]
923it [15:07,  1.09it/s]
924it [15:08,  1.09it/s]
925it [15:09,  1.09it/s]
926it [15:10,  1.09it/s]
927it [15:11,  1.09it/s]
928it [15:12,  1.09it/s]
929it [15:13,  1.09it/s]
930it [15:13,  1.09it/s]
931it [15:14,  1.09it/s]
932it [15:15,  1.09it/s]
933it [15:16,  1.09it/s]
934it [15:17,  1.08it/s]
935it [15:18,  1.08it/s]
936it [15:19,  1.09it/s]
937it [15:20,  1.09it/s]
938it [15:21,  1.09it/s]
939it [15:22,  1.09it/s]
940it [15:23,  1.09it/s]
941it [15:24,  1.09it/s]
942it [15:25,  1.09it/s]
943it [15:25,  1.10it/s]
944it [15:26,  1.09it/s]
945it [15:27,  1.09it/s]
946it [15:28,  1.09it/s]
947it [15:29,  1.09it/s]
948it [15:30,  1.10it/s]
949it [15:31,  1.09it/s]
950it [15:32,  1.10it/s]
951it [15:33,  1.09it/s]
952it [15:34,  1.09it/s]
953it [15:35,  1.09it/s]
954it [15:35,  1.10it/s]
955it [15:36,  1.10it/s]
956it [15:37,  1.10it/s]
957it [15:38,  1.10it/s]
958it [15:39,  1.10it/s]
959it [15:40,  1.10it/s]
960it [15:41,  1.09it/s]
961it [15:42,  1.09it/s]
962it [15:43,  1.09it/s]
963it [15:44,  1.09it/s]
964it [15:45,  1.09it/s]
965it [15:46,  1.09it/s]
966it [15:46,  1.09it/s]
967it [15:47,  1.09it/s]
968it [15:48,  1.09it/s]
969it [15:49,  1.09it/s]
970it [15:50,  1.10it/s]
971it [15:51,  1.10it/s]
972it [15:52,  1.09it/s]
973it [15:53,  1.09it/s]
974it [15:54,  1.09it/s]
975it [15:55,  1.09it/s]
976it [15:56,  1.09it/s]
977it [15:57,  1.09it/s]
978it [15:57,  1.09it/s]
979it [15:58,  1.09it/s]
980it [15:59,  1.09it/s]
981it [16:00,  1.09it/s]
982it [16:01,  1.09it/s]
983it [16:02,  1.09it/s]
984it [16:03,  1.09it/s]
985it [16:04,  1.09it/s]
986it [16:05,  1.09it/s]
987it [16:06,  1.09it/s]
988it [16:07,  1.09it/s]
989it [16:08,  1.09it/s]
990it [16:08,  1.09it/s]
991it [16:09,  1.09it/s]
992it [16:10,  1.08it/s]
993it [16:11,  1.08it/s]
994it [16:12,  1.09it/s]
995it [16:13,  1.09it/s]
996it [16:14,  1.09it/s]
997it [16:15,  1.09it/s]
998it [16:16,  1.09it/s]
999it [16:17,  1.08it/s]
1000it [16:18,  1.08it/s]
1000it [16:18,  1.02it/s]
Enumerated peptides:
	Number of peptides: 1000000
Conversion errors:
	SMILES: 0
⏰ Completed process in 0:16:18.212365

0it [00:00, ?it/s]
1it [00:10, 10.33s/it]
2it [00:20, 10.24s/it]
3it [00:30, 10.24s/it]
4it [00:41, 10.25s/it]
5it [00:51, 10.27s/it]
6it [01:01, 10.27s/it]
7it [01:11, 10.26s/it]
8it [01:22, 10.28s/it]
9it [01:32, 10.27s/it]
10it [01:42, 10.26s/it]
11it [01:52, 10.25s/it]
12it [02:03, 10.24s/it]
13it [02:13, 10.24s/it]
14it [02:23, 10.24s/it]
15it [02:33, 10.26s/it]
16it [02:44, 10.27s/it]
17it [02:54, 10.25s/it]
18it [03:04, 10.24s/it]
19it [03:14, 10.23s/it]
20it [03:24, 10.22s/it]
21it [03:35, 10.23s/it]
22it [03:45, 10.22s/it]
23it [03:55, 10.25s/it]
24it [04:05, 10.23s/it]
25it [04:16, 10.22s/it]
26it [04:26, 10.24s/it]
27it [04:36, 10.25s/it]
28it [04:47, 10.31s/it]
29it [04:57, 10.38s/it]
30it [05:08, 10.44s/it]
31it [05:18, 10.46s/it]
32it [05:29, 10.49s/it]
33it [05:39, 10.50s/it]
34it [05:50, 10.55s/it]
35it [06:01, 10.54s/it]
36it [06:11, 10.55s/it]
37it [06:22, 10.54s/it]
38it [06:32, 10.55s/it]
39it [06:43, 10.56s/it]
40it [06:53, 10.55s/it]
41it [07:04, 10.52s/it]
42it [07:14, 10.47s/it]
43it [07:24, 10.44s/it]
44it [07:35, 10.43s/it]
45it [07:45, 10.40s/it]
46it [07:56, 10.37s/it]
47it [08:06, 10.36s/it]
48it [08:16, 10.37s/it]
49it [08:27, 10.36s/it]
50it [08:37, 10.36s/it]
51it [08:47, 10.35s/it]
52it [08:58, 10.35s/it]
53it [09:08, 10.35s/it]
54it [09:18, 10.33s/it]
55it [09:29, 10.32s/it]
56it [09:39, 10.30s/it]
57it [09:49, 10.29s/it]
58it [09:59, 10.32s/it]
59it [10:10, 10.33s/it]
60it [10:20, 10.33s/it]
61it [10:31, 10.35s/it]
62it [10:41, 10.34s/it]
63it [10:51, 10.34s/it]
64it [11:02, 10.35s/it]
65it [11:12, 10.33s/it]
66it [11:22, 10.35s/it]
67it [11:33, 10.35s/it]
68it [11:43, 10.34s/it]
69it [11:53, 10.36s/it]
70it [12:04, 10.34s/it]
71it [12:14, 10.37s/it]
72it [12:24, 10.38s/it]
73it [12:35, 10.37s/it]
74it [12:45, 10.35s/it]
75it [12:55, 10.32s/it]
76it [13:06, 10.31s/it]
77it [13:16, 10.29s/it]
78it [13:26, 10.30s/it]
79it [13:36, 10.30s/it]
80it [13:47, 10.32s/it]
81it [13:57, 10.32s/it]
82it [14:08, 10.34s/it]
83it [14:18, 10.42s/it]
84it [14:29, 10.49s/it]
85it [14:39, 10.51s/it]
86it [14:50, 10.55s/it]
87it [15:01, 10.54s/it]
88it [15:11, 10.57s/it]
89it [15:22, 10.54s/it]
90it [15:32, 10.54s/it]
91it [15:43, 10.54s/it]
92it [15:53, 10.51s/it]
93it [16:04, 10.52s/it]
94it [16:14, 10.50s/it]
95it [16:25, 10.48s/it]
96it [16:35, 10.49s/it]
97it [16:46, 10.48s/it]
98it [16:56, 10.48s/it]
99it [17:06, 10.47s/it]
100it [17:17, 10.45s/it]
101it [17:28, 10.50s/it]
102it [17:38, 10.47s/it]
103it [17:48, 10.47s/it]
104it [17:59, 10.47s/it]
105it [18:09, 10.47s/it]
106it [18:20, 10.48s/it]
107it [18:30, 10.51s/it]
108it [18:41, 10.51s/it]
109it [18:51, 10.50s/it]
110it [19:02, 10.50s/it]
111it [19:12, 10.50s/it]
112it [19:23, 10.49s/it]
113it [19:33, 10.51s/it]
114it [19:44, 10.51s/it]
115it [19:54, 10.51s/it]
116it [20:05, 10.51s/it]
117it [20:16, 10.53s/it]
118it [20:26, 10.53s/it]
119it [20:37, 10.53s/it]
120it [20:47, 10.50s/it]
121it [20:58, 10.53s/it]
122it [21:08, 10.56s/it]
123it [21:19, 10.58s/it]
124it [21:30, 10.59s/it]
125it [21:40, 10.59s/it]
126it [21:51, 10.59s/it]
127it [22:01, 10.58s/it]
128it [22:12, 10.58s/it]
129it [22:22, 10.60s/it]
130it [22:33, 10.59s/it]
131it [22:44, 10.61s/it]
132it [22:54, 10.61s/it]
133it [23:05, 10.62s/it]
134it [23:16, 10.63s/it]
135it [23:26, 10.62s/it]
136it [23:37, 10.61s/it]
137it [23:47, 10.62s/it]
138it [23:58, 10.61s/it]
139it [24:09, 10.63s/it]
140it [24:19, 10.62s/it]
141it [24:30, 10.64s/it]
142it [24:41, 10.70s/it]
143it [24:51, 10.69s/it]
144it [25:02, 10.70s/it]
145it [25:13, 10.72s/it]
146it [25:24, 10.75s/it]
147it [25:34, 10.71s/it]
148it [25:45, 10.69s/it]
149it [25:56, 10.70s/it]
150it [26:06, 10.70s/it]
151it [26:17, 10.73s/it]
152it [26:28, 10.70s/it]
153it [26:39, 10.68s/it]
154it [26:49, 10.67s/it]
155it [27:00, 10.66s/it]
156it [27:10, 10.61s/it]
157it [27:21, 10.61s/it]
158it [27:31, 10.59s/it]
159it [27:42, 10.60s/it]
160it [27:53, 10.60s/it]
161it [28:03, 10.60s/it]
162it [28:14, 10.60s/it]
163it [28:24, 10.59s/it]
164it [28:35, 10.59s/it]
165it [28:46, 10.59s/it]
166it [28:56, 10.60s/it]
167it [29:07, 10.60s/it]
168it [29:17, 10.61s/it]
169it [29:28, 10.61s/it]
170it [29:39, 10.63s/it]
171it [29:49, 10.65s/it]
172it [30:00, 10.64s/it]
173it [30:11, 10.66s/it]
174it [30:21, 10.65s/it]
175it [30:32, 10.63s/it]
176it [30:43, 10.62s/it]
177it [30:53, 10.64s/it]
178it [31:04, 10.63s/it]
179it [31:15, 10.65s/it]
180it [31:25, 10.63s/it]
181it [31:36, 10.62s/it]
182it [31:46, 10.63s/it]
183it [31:57, 10.63s/it]
184it [32:08, 10.64s/it]
185it [32:18, 10.65s/it]
186it [32:29, 10.64s/it]
187it [32:40, 10.66s/it]
188it [32:50, 10.68s/it]
189it [33:01, 10.68s/it]
190it [33:12, 10.64s/it]
191it [33:22, 10.63s/it]
192it [33:33, 10.64s/it]
193it [33:44, 10.65s/it]
194it [33:54, 10.62s/it]
195it [34:05, 10.61s/it]
196it [34:15, 10.63s/it]
197it [34:26, 10.63s/it]
198it [34:37, 10.63s/it]
199it [34:47, 10.66s/it]
200it [34:58, 10.66s/it]
201it [35:09, 10.65s/it]
202it [35:19, 10.63s/it]
203it [35:30, 10.62s/it]
204it [35:40, 10.61s/it]
205it [35:51, 10.62s/it]
206it [36:02, 10.62s/it]
207it [36:12, 10.60s/it]
208it [36:23, 10.61s/it]
209it [36:33, 10.61s/it]
210it [36:44, 10.61s/it]
211it [36:55, 10.60s/it]
212it [37:05, 10.60s/it]
213it [37:16, 10.63s/it]
214it [37:27, 10.60s/it]
215it [37:37, 10.63s/it]
216it [37:48, 10.64s/it]
217it [37:58, 10.62s/it]
218it [38:09, 10.63s/it]
219it [38:20, 10.72s/it]
220it [38:31, 10.70s/it]
221it [38:41, 10.69s/it]
222it [38:52, 10.67s/it]
223it [39:03, 10.67s/it]
224it [39:13, 10.66s/it]
225it [39:24, 10.65s/it]
226it [39:35, 10.66s/it]
227it [39:45, 10.64s/it]
228it [39:56, 10.65s/it]
229it [40:06, 10.62s/it]
230it [40:17, 10.69s/it]
231it [40:28, 10.68s/it]
232it [40:39, 10.66s/it]
233it [40:49, 10.65s/it]
234it [41:00, 10.63s/it]
235it [41:10, 10.62s/it]
236it [41:21, 10.61s/it]
237it [41:32, 10.63s/it]
238it [41:42, 10.63s/it]
239it [41:53, 10.62s/it]
240it [42:03, 10.62s/it]
241it [42:14, 10.63s/it]
242it [42:25, 10.64s/it]
243it [42:35, 10.62s/it]
244it [42:46, 10.61s/it]
245it [42:57, 10.61s/it]
246it [43:07, 10.61s/it]
247it [43:18, 10.60s/it]
248it [43:28, 10.59s/it]
249it [43:39, 10.59s/it]
250it [43:49, 10.57s/it]
251it [44:00, 10.58s/it]
252it [44:11, 10.59s/it]
253it [44:21, 10.56s/it]
254it [44:32, 10.54s/it]
255it [44:42, 10.56s/it]
256it [44:53, 10.54s/it]
257it [45:03, 10.53s/it]
258it [45:14, 10.53s/it]
259it [45:24, 10.52s/it]
260it [45:35, 10.53s/it]
261it [45:45, 10.53s/it]
262it [45:56, 10.52s/it]
263it [46:06, 10.53s/it]
264it [46:17, 10.52s/it]
265it [46:27, 10.51s/it]
266it [46:38, 10.51s/it]
267it [46:48, 10.52s/it]
268it [46:59, 10.54s/it]
269it [47:10, 10.54s/it]
270it [47:20, 10.54s/it]
271it [47:31, 10.53s/it]
272it [47:41, 10.53s/it]
273it [47:52, 10.53s/it]
274it [48:02, 10.53s/it]
275it [48:13, 10.56s/it]
276it [48:23, 10.54s/it]
277it [48:34, 10.55s/it]
278it [48:44, 10.55s/it]
279it [48:55, 10.56s/it]
280it [49:06, 10.56s/it]
281it [49:16, 10.58s/it]
282it [49:27, 10.69s/it]
283it [49:38, 10.80s/it]
284it [49:49, 10.82s/it]
285it [50:00, 10.81s/it]
286it [50:11, 10.87s/it]
287it [50:22, 10.95s/it]
288it [50:33, 10.97s/it]
289it [50:44, 10.99s/it]
290it [50:55, 11.02s/it]
291it [51:06, 11.00s/it]
292it [51:17, 11.08s/it]
293it [51:29, 11.16s/it]
294it [51:40, 11.21s/it]
295it [51:51, 11.25s/it]
296it [52:03, 11.26s/it]
297it [52:14, 11.27s/it]
298it [52:25, 11.26s/it]
299it [52:36, 11.26s/it]
300it [52:48, 11.25s/it]
301it [52:59, 11.25s/it]
302it [53:10, 11.26s/it]
303it [53:21, 11.27s/it]
304it [53:33, 11.25s/it]
305it [53:44, 11.26s/it]
306it [53:55, 11.28s/it]
307it [54:07, 11.26s/it]
308it [54:18, 11.26s/it]
309it [54:29, 11.27s/it]
310it [54:40, 11.27s/it]
311it [54:52, 11.26s/it]
312it [55:03, 11.26s/it]
313it [55:14, 11.28s/it]
314it [55:25, 11.25s/it]
315it [55:37, 11.26s/it]
316it [55:48, 11.23s/it]
317it [55:59, 11.23s/it]
318it [56:10, 11.27s/it]
319it [56:22, 11.30s/it]
320it [56:33, 11.31s/it]
321it [56:44, 11.27s/it]
322it [56:56, 11.30s/it]
323it [57:07, 11.28s/it]
324it [57:18, 11.26s/it]
325it [57:29, 11.25s/it]
326it [57:40, 11.24s/it]
327it [57:52, 11.27s/it]
328it [58:03, 11.28s/it]
329it [58:14, 11.27s/it]
330it [58:26, 11.30s/it]
331it [58:37, 11.31s/it]
332it [58:48, 11.30s/it]
333it [59:00, 11.29s/it]
334it [59:11, 11.30s/it]
335it [59:22, 11.27s/it]
336it [59:33, 11.28s/it]
337it [59:45, 11.22s/it]
338it [59:56, 11.25s/it]
339it [1:00:07, 11.25s/it]
340it [1:00:18, 11.25s/it]
341it [1:00:30, 11.27s/it]
342it [1:00:41, 11.24s/it]
343it [1:00:52, 11.26s/it]
344it [1:01:03, 11.28s/it]
345it [1:01:15, 11.29s/it]
346it [1:01:26, 11.30s/it]
347it [1:01:37, 11.28s/it]
348it [1:01:49, 11.30s/it]
349it [1:02:00, 11.28s/it]
350it [1:02:11, 11.28s/it]
351it [1:02:23, 11.30s/it]
352it [1:02:34, 11.32s/it]
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966it [2:57:00, 10.49s/it]
967it [2:57:11, 10.51s/it]
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969it [2:57:32, 10.50s/it]
970it [2:57:42, 10.51s/it]
971it [2:57:53, 10.54s/it]
972it [2:58:04, 10.54s/it]
973it [2:58:14, 10.53s/it]
974it [2:58:25, 10.58s/it]
975it [2:58:35, 10.56s/it]
976it [2:58:46, 10.57s/it]
977it [2:58:57, 10.58s/it]
978it [2:59:07, 10.57s/it]
979it [2:59:18, 10.61s/it]
980it [2:59:28, 10.62s/it]
981it [2:59:39, 10.59s/it]
982it [2:59:49, 10.55s/it]
983it [3:00:00, 10.52s/it]
984it [3:00:10, 10.54s/it]
985it [3:00:21, 10.53s/it]
986it [3:00:31, 10.51s/it]
987it [3:00:42, 10.51s/it]
988it [3:00:52, 10.48s/it]
989it [3:01:03, 10.49s/it]
990it [3:01:13, 10.50s/it]
991it [3:01:24, 10.50s/it]
992it [3:01:34, 10.50s/it]
993it [3:01:45, 10.48s/it]
994it [3:01:55, 10.48s/it]
995it [3:02:06, 10.47s/it]
996it [3:02:16, 10.46s/it]
997it [3:02:27, 10.47s/it]
998it [3:02:37, 10.46s/it]
999it [3:02:48, 10.47s/it]
1000it [3:02:58, 10.46s/it]
1000it [3:02:58, 10.98s/it]
Error counts:
	linear_id: 0
	linear_inchikey: 0
	linear_scaffold: 0
	linear_mwt: 0
	linear_clogp: 0
	linear_tpsa: 0
⏰ Completed process in 3:19:17.248266

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706it [1:40:31,  8.42s/it]
707it [1:40:39,  8.42s/it]
708it [1:40:48,  8.42s/it]
709it [1:40:56,  8.41s/it]
710it [1:41:04,  8.40s/it]
711it [1:41:13,  8.40s/it]
712it [1:41:21,  8.40s/it]
713it [1:41:30,  8.43s/it]
714it [1:41:38,  8.44s/it]
715it [1:41:46,  8.44s/it]
716it [1:41:55,  8.44s/it]
717it [1:42:03,  8.43s/it]
718it [1:42:12,  8.42s/it]
719it [1:42:20,  8.42s/it]
720it [1:42:29,  8.43s/it]
721it [1:42:37,  8.44s/it]
722it [1:42:45,  8.43s/it]
723it [1:42:54,  8.42s/it]
724it [1:43:02,  8.44s/it]
725it [1:43:11,  8.45s/it]
726it [1:43:19,  8.45s/it]
727it [1:43:28,  8.44s/it]
728it [1:43:36,  8.43s/it]
729it [1:43:45,  8.43s/it]
730it [1:43:53,  8.44s/it]
731it [1:44:01,  8.44s/it]
732it [1:44:10,  8.44s/it]
733it [1:44:18,  8.43s/it]
734it [1:44:27,  8.44s/it]
735it [1:44:35,  8.42s/it]
736it [1:44:44,  8.42s/it]
737it [1:44:52,  8.42s/it]
738it [1:45:00,  8.41s/it]
739it [1:45:09,  8.41s/it]
740it [1:45:17,  8.41s/it]
741it [1:45:26,  8.40s/it]
742it [1:45:34,  8.40s/it]
743it [1:45:42,  8.39s/it]
744it [1:45:51,  8.39s/it]
745it [1:45:59,  8.40s/it]
746it [1:46:08,  8.41s/it]
747it [1:46:16,  8.41s/it]
748it [1:46:24,  8.41s/it]
749it [1:46:33,  8.41s/it]
750it [1:46:41,  8.43s/it]
751it [1:46:50,  8.43s/it]
752it [1:46:58,  8.43s/it]
753it [1:47:07,  8.43s/it]
754it [1:47:15,  8.44s/it]
755it [1:47:23,  8.44s/it]
756it [1:47:32,  8.48s/it]
757it [1:47:41,  8.50s/it]
758it [1:47:49,  8.49s/it]
759it [1:47:58,  8.51s/it]
760it [1:48:06,  8.52s/it]
761it [1:48:15,  8.55s/it]
762it [1:48:23,  8.59s/it]
763it [1:48:32,  8.57s/it]
764it [1:48:40,  8.53s/it]
765it [1:48:49,  8.49s/it]
766it [1:48:57,  8.47s/it]
767it [1:49:06,  8.45s/it]
768it [1:49:14,  8.43s/it]
769it [1:49:22,  8.45s/it]
770it [1:49:31,  8.47s/it]
771it [1:49:39,  8.48s/it]
772it [1:49:48,  8.49s/it]
773it [1:49:56,  8.48s/it]
774it [1:50:05,  8.48s/it]
775it [1:50:13,  8.49s/it]
776it [1:50:22,  8.49s/it]
777it [1:50:30,  8.46s/it]
778it [1:50:39,  8.48s/it]
779it [1:50:47,  8.47s/it]
780it [1:50:56,  8.48s/it]
781it [1:51:04,  8.48s/it]
782it [1:51:13,  8.49s/it]
783it [1:51:21,  8.48s/it]
784it [1:51:30,  8.47s/it]
785it [1:51:38,  8.46s/it]
786it [1:51:47,  8.46s/it]
787it [1:51:55,  8.46s/it]
788it [1:52:03,  8.45s/it]
789it [1:52:12,  8.43s/it]
790it [1:52:20,  8.43s/it]
791it [1:52:29,  8.45s/it]
792it [1:52:37,  8.44s/it]
793it [1:52:46,  8.45s/it]
794it [1:52:54,  8.47s/it]
795it [1:53:03,  8.47s/it]
796it [1:53:11,  8.48s/it]
797it [1:53:20,  8.47s/it]
798it [1:53:28,  8.49s/it]
799it [1:53:37,  8.49s/it]
800it [1:53:45,  8.50s/it]
801it [1:53:54,  8.51s/it]
802it [1:54:02,  8.50s/it]
803it [1:54:11,  8.47s/it]
804it [1:54:19,  8.48s/it]
805it [1:54:28,  8.46s/it]
806it [1:54:36,  8.46s/it]
807it [1:54:44,  8.48s/it]
808it [1:54:53,  8.47s/it]
809it [1:55:01,  8.47s/it]
810it [1:55:10,  8.46s/it]
811it [1:55:18,  8.44s/it]
812it [1:55:27,  8.43s/it]
813it [1:55:35,  8.43s/it]
814it [1:55:43,  8.41s/it]
815it [1:55:52,  8.43s/it]
816it [1:56:00,  8.43s/it]
817it [1:56:09,  8.45s/it]
818it [1:56:17,  8.47s/it]
819it [1:56:26,  8.48s/it]
820it [1:56:35,  8.56s/it]
821it [1:56:43,  8.57s/it]
822it [1:56:52,  8.56s/it]
823it [1:57:00,  8.55s/it]
824it [1:57:09,  8.54s/it]
825it [1:57:17,  8.58s/it]
826it [1:57:26,  8.59s/it]
827it [1:57:35,  8.57s/it]
828it [1:57:43,  8.59s/it]
829it [1:57:52,  8.57s/it]
830it [1:58:00,  8.57s/it]
831it [1:58:09,  8.55s/it]
832it [1:58:17,  8.57s/it]
833it [1:58:26,  8.56s/it]
834it [1:58:34,  8.54s/it]
835it [1:58:43,  8.57s/it]
836it [1:58:52,  8.60s/it]
837it [1:59:01,  8.65s/it]
838it [1:59:09,  8.66s/it]
839it [1:59:18,  8.68s/it]
840it [1:59:27,  8.67s/it]
841it [1:59:35,  8.66s/it]
842it [1:59:44,  8.63s/it]
843it [1:59:52,  8.60s/it]
844it [2:00:01,  8.60s/it]
845it [2:00:09,  8.58s/it]
846it [2:00:18,  8.56s/it]
847it [2:00:27,  8.55s/it]
848it [2:00:35,  8.53s/it]
849it [2:00:44,  8.54s/it]
850it [2:00:52,  8.56s/it]
851it [2:01:01,  8.58s/it]
852it [2:01:09,  8.60s/it]
853it [2:01:18,  8.62s/it]
854it [2:01:27,  8.62s/it]
855it [2:01:35,  8.63s/it]
856it [2:01:44,  8.63s/it]
857it [2:01:53,  8.65s/it]
858it [2:02:01,  8.65s/it]
859it [2:02:10,  8.65s/it]
860it [2:02:19,  8.64s/it]
861it [2:02:27,  8.66s/it]
862it [2:02:36,  8.65s/it]
863it [2:02:45,  8.66s/it]
864it [2:02:53,  8.67s/it]
865it [2:03:02,  8.68s/it]
866it [2:03:11,  8.66s/it]
867it [2:03:19,  8.66s/it]
868it [2:03:28,  8.66s/it]
869it [2:03:37,  8.66s/it]
870it [2:03:45,  8.59s/it]
871it [2:03:54,  8.58s/it]
872it [2:04:02,  8.58s/it]
873it [2:04:11,  8.60s/it]
874it [2:04:19,  8.59s/it]
875it [2:04:28,  8.56s/it]
876it [2:04:37,  8.59s/it]
877it [2:04:45,  8.68s/it]
878it [2:04:54,  8.67s/it]
879it [2:05:03,  8.66s/it]
880it [2:05:11,  8.65s/it]
881it [2:05:20,  8.62s/it]
882it [2:05:28,  8.58s/it]
883it [2:05:37,  8.59s/it]
884it [2:05:46,  8.58s/it]
885it [2:05:54,  8.57s/it]
886it [2:06:03,  8.58s/it]
887it [2:06:11,  8.57s/it]
888it [2:06:20,  8.55s/it]
889it [2:06:28,  8.53s/it]
890it [2:06:37,  8.52s/it]
891it [2:06:45,  8.50s/it]
892it [2:06:54,  8.49s/it]
893it [2:07:02,  8.48s/it]
894it [2:07:10,  8.45s/it]
895it [2:07:19,  8.45s/it]
896it [2:07:27,  8.48s/it]
897it [2:07:36,  8.49s/it]
898it [2:07:44,  8.48s/it]
899it [2:07:53,  8.48s/it]
900it [2:08:01,  8.48s/it]
901it [2:08:10,  8.50s/it]
902it [2:08:18,  8.51s/it]
903it [2:08:27,  8.53s/it]
904it [2:08:36,  8.55s/it]
905it [2:08:44,  8.57s/it]
906it [2:08:53,  8.57s/it]
907it [2:09:01,  8.60s/it]
908it [2:09:10,  8.62s/it]
909it [2:09:19,  8.62s/it]
910it [2:09:27,  8.63s/it]
911it [2:09:36,  8.62s/it]
912it [2:09:45,  8.64s/it]
913it [2:09:53,  8.65s/it]
914it [2:10:02,  8.60s/it]
915it [2:10:11,  8.62s/it]
916it [2:10:19,  8.60s/it]
917it [2:10:28,  8.56s/it]
918it [2:10:36,  8.54s/it]
919it [2:10:44,  8.50s/it]
920it [2:10:53,  8.49s/it]
921it [2:11:01,  8.48s/it]
922it [2:11:10,  8.50s/it]
923it [2:11:18,  8.48s/it]
924it [2:11:27,  8.48s/it]
925it [2:11:35,  8.51s/it]
926it [2:11:44,  8.53s/it]
927it [2:11:53,  8.53s/it]
928it [2:12:01,  8.53s/it]
929it [2:12:10,  8.51s/it]
930it [2:12:18,  8.51s/it]
931it [2:12:27,  8.52s/it]
932it [2:12:35,  8.51s/it]
933it [2:12:44,  8.49s/it]
934it [2:12:52,  8.48s/it]
935it [2:13:01,  8.50s/it]
936it [2:13:09,  8.49s/it]
937it [2:13:18,  8.50s/it]
938it [2:13:26,  8.48s/it]
939it [2:13:34,  8.48s/it]
940it [2:13:43,  8.48s/it]
941it [2:13:51,  8.46s/it]
942it [2:14:00,  8.46s/it]
943it [2:14:08,  8.47s/it]
944it [2:14:17,  8.48s/it]
945it [2:14:25,  8.54s/it]
946it [2:14:34,  8.50s/it]
947it [2:14:42,  8.49s/it]
948it [2:14:51,  8.55s/it]
949it [2:15:00,  8.59s/it]
950it [2:15:08,  8.61s/it]
951it [2:15:17,  8.62s/it]
952it [2:15:26,  8.62s/it]
953it [2:15:34,  8.61s/it]
954it [2:15:43,  8.61s/it]
955it [2:15:52,  8.65s/it]
956it [2:16:00,  8.70s/it]
957it [2:16:09,  8.72s/it]
958it [2:16:18,  8.72s/it]
959it [2:16:27,  8.70s/it]
960it [2:16:35,  8.74s/it]
961it [2:16:44,  8.73s/it]
962it [2:16:53,  8.73s/it]
963it [2:17:01,  8.72s/it]
964it [2:17:10,  8.73s/it]
965it [2:17:19,  8.72s/it]
966it [2:17:28,  8.75s/it]
967it [2:17:37,  8.76s/it]
968it [2:17:45,  8.77s/it]
969it [2:17:54,  8.75s/it]
970it [2:18:03,  8.74s/it]
971it [2:18:11,  8.72s/it]
972it [2:18:20,  8.70s/it]
973it [2:18:29,  8.68s/it]
974it [2:18:37,  8.66s/it]
975it [2:18:46,  8.59s/it]
976it [2:18:54,  8.56s/it]
977it [2:19:03,  8.55s/it]
978it [2:19:11,  8.57s/it]
979it [2:19:20,  8.54s/it]
980it [2:19:28,  8.56s/it]
981it [2:19:37,  8.56s/it]
982it [2:19:46,  8.54s/it]
983it [2:19:54,  8.57s/it]
984it [2:20:03,  8.60s/it]
985it [2:20:12,  8.65s/it]
986it [2:20:20,  8.65s/it]
987it [2:20:29,  8.63s/it]
988it [2:20:37,  8.62s/it]
989it [2:20:46,  8.59s/it]
990it [2:20:55,  8.60s/it]
991it [2:21:03,  8.58s/it]
992it [2:21:12,  8.56s/it]
993it [2:21:20,  8.55s/it]
994it [2:21:29,  8.53s/it]
995it [2:21:37,  8.51s/it]
996it [2:21:46,  8.48s/it]
997it [2:21:54,  8.47s/it]
998it [2:22:02,  8.47s/it]
999it [2:22:11,  8.47s/it]
1000it [2:22:19,  8.47s/it]
1000it [2:22:19,  8.54s/it]
Error counts:
	cysteine_to_N_cyclization: 0
⏰ Completed process in 5:41:38.204285

0it [00:00, ?it/s]
1it [00:10, 10.69s/it]
2it [00:21, 10.59s/it]
3it [00:31, 10.56s/it]
4it [00:42, 10.58s/it]
5it [00:52, 10.60s/it]
6it [01:03, 10.61s/it]
7it [01:14, 10.60s/it]
8it [01:24, 10.62s/it]
9it [01:35, 10.64s/it]
10it [01:46, 10.65s/it]
11it [01:56, 10.65s/it]
12it [02:07, 10.64s/it]
13it [02:18, 10.64s/it]
14it [02:28, 10.66s/it]
15it [02:39, 10.70s/it]
16it [02:50, 10.71s/it]
17it [03:01, 10.72s/it]
18it [03:11, 10.70s/it]
19it [03:22, 10.68s/it]
20it [03:33, 10.68s/it]
21it [03:43, 10.71s/it]
22it [03:54, 10.74s/it]
23it [04:05, 10.73s/it]
24it [04:16, 10.73s/it]
25it [04:26, 10.75s/it]
26it [04:37, 10.78s/it]
27it [04:48, 10.77s/it]
28it [04:59, 10.75s/it]
29it [05:10, 10.79s/it]
30it [05:20, 10.80s/it]
31it [05:31, 10.78s/it]
32it [05:42, 10.79s/it]
33it [05:53, 10.77s/it]
34it [06:03, 10.77s/it]
35it [06:14, 10.76s/it]
36it [06:25, 10.78s/it]
37it [06:36, 10.79s/it]
38it [06:47, 10.78s/it]
39it [06:57, 10.75s/it]
40it [07:08, 10.73s/it]
41it [07:19, 10.70s/it]
42it [07:29, 10.71s/it]
43it [07:40, 10.69s/it]
44it [07:51, 10.71s/it]
45it [08:01, 10.72s/it]
46it [08:12, 10.70s/it]
47it [08:23, 10.70s/it]
48it [08:33, 10.70s/it]
49it [08:44, 10.71s/it]
50it [08:55, 10.71s/it]
51it [09:06, 10.70s/it]
52it [09:16, 10.72s/it]
53it [09:27, 10.74s/it]
54it [09:38, 10.79s/it]
55it [09:49, 10.83s/it]
56it [10:00, 10.85s/it]
57it [10:11, 10.83s/it]
58it [10:22, 10.86s/it]
59it [10:32, 10.87s/it]
60it [10:43, 10.88s/it]
61it [10:54, 10.89s/it]
62it [11:05, 10.90s/it]
63it [11:16, 10.89s/it]
64it [11:27, 10.93s/it]
65it [11:38, 10.91s/it]
66it [11:49, 10.95s/it]
67it [12:00, 11.01s/it]
68it [12:11, 11.03s/it]
69it [12:22, 11.07s/it]
70it [12:34, 11.13s/it]
71it [12:45, 11.19s/it]
72it [12:56, 11.20s/it]
73it [13:08, 11.22s/it]
74it [13:19, 11.26s/it]
75it [13:30, 11.25s/it]
76it [13:41, 11.23s/it]
77it [13:53, 11.25s/it]
78it [14:04, 11.24s/it]
79it [14:15, 11.23s/it]
80it [14:26, 11.23s/it]
81it [14:37, 11.21s/it]
82it [14:49, 11.21s/it]
83it [15:00, 11.24s/it]
84it [15:11, 11.23s/it]
85it [15:22, 11.20s/it]
86it [15:33, 11.20s/it]
87it [15:45, 11.18s/it]
88it [15:56, 11.21s/it]
89it [16:07, 11.21s/it]
90it [16:18, 11.27s/it]
91it [16:30, 11.26s/it]
92it [16:41, 11.23s/it]
93it [16:52, 11.28s/it]
94it [17:04, 11.27s/it]
95it [17:15, 11.25s/it]
96it [17:26, 11.29s/it]
97it [17:37, 11.28s/it]
98it [17:49, 11.29s/it]
99it [18:00, 11.32s/it]
100it [18:11, 11.30s/it]
101it [18:23, 11.32s/it]
102it [18:34, 11.29s/it]
103it [18:45, 11.31s/it]
104it [18:57, 11.29s/it]
105it [19:08, 11.33s/it]
106it [19:19, 11.32s/it]
107it [19:31, 11.34s/it]
108it [19:42, 11.34s/it]
109it [19:53, 11.33s/it]
110it [20:05, 11.37s/it]
111it [20:16, 11.37s/it]
112it [20:27, 11.34s/it]
113it [20:39, 11.29s/it]
114it [20:50, 11.25s/it]
115it [21:01, 11.24s/it]
116it [21:12, 11.22s/it]
117it [21:23, 11.27s/it]
118it [21:35, 11.30s/it]
119it [21:46, 11.25s/it]
120it [21:57, 11.23s/it]
121it [22:08, 11.26s/it]
122it [22:20, 11.26s/it]
123it [22:31, 11.24s/it]
124it [22:42, 11.27s/it]
125it [22:54, 11.33s/it]
126it [23:05, 11.33s/it]
127it [23:16, 11.35s/it]
128it [23:28, 11.37s/it]
129it [23:39, 11.35s/it]
130it [23:50, 11.31s/it]
131it [24:02, 11.34s/it]
132it [24:13, 11.33s/it]
133it [24:24, 11.32s/it]
134it [24:36, 11.33s/it]
135it [24:47, 11.32s/it]
136it [24:58, 11.31s/it]
137it [25:10, 11.31s/it]
138it [25:21, 11.30s/it]
139it [25:32, 11.30s/it]
140it [25:44, 11.32s/it]
141it [25:55, 11.35s/it]
142it [26:07, 11.40s/it]
143it [26:18, 11.40s/it]
144it [26:29, 11.37s/it]
145it [26:41, 11.36s/it]
146it [26:52, 11.37s/it]
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621it [1:53:08, 10.62s/it]
622it [1:53:19, 10.63s/it]
623it [1:53:29, 10.63s/it]
624it [1:53:40, 10.64s/it]
625it [1:53:51, 10.66s/it]
626it [1:54:01, 10.66s/it]
627it [1:54:12, 10.65s/it]
628it [1:54:22, 10.64s/it]
629it [1:54:33, 10.62s/it]
630it [1:54:44, 10.62s/it]
631it [1:54:54, 10.61s/it]
632it [1:55:05, 10.59s/it]
633it [1:55:15, 10.59s/it]
634it [1:55:26, 10.60s/it]
635it [1:55:37, 10.60s/it]
636it [1:55:47, 10.61s/it]
637it [1:55:58, 10.62s/it]
638it [1:56:09, 10.62s/it]
639it [1:56:19, 10.62s/it]
640it [1:56:30, 10.62s/it]
641it [1:56:40, 10.62s/it]
642it [1:56:51, 10.63s/it]
643it [1:57:02, 10.64s/it]
644it [1:57:12, 10.63s/it]
645it [1:57:23, 10.63s/it]
646it [1:57:33, 10.61s/it]
647it [1:57:44, 10.62s/it]
648it [1:57:55, 10.62s/it]
649it [1:58:05, 10.60s/it]
650it [1:58:16, 10.61s/it]
651it [1:58:26, 10.60s/it]
652it [1:58:37, 10.59s/it]
653it [1:58:48, 10.61s/it]
654it [1:58:58, 10.60s/it]
655it [1:59:09, 10.60s/it]
656it [1:59:19, 10.60s/it]
657it [1:59:30, 10.60s/it]
658it [1:59:41, 10.58s/it]
659it [1:59:51, 10.59s/it]
660it [2:00:02, 10.58s/it]
661it [2:00:12, 10.58s/it]
662it [2:00:23, 10.59s/it]
663it [2:00:34, 10.58s/it]
664it [2:00:44, 10.58s/it]
665it [2:00:55, 10.61s/it]
666it [2:01:06, 10.63s/it]
667it [2:01:16, 10.64s/it]
668it [2:01:27, 10.63s/it]
669it [2:01:37, 10.62s/it]
670it [2:01:48, 10.61s/it]
671it [2:01:59, 10.61s/it]
672it [2:02:09, 10.59s/it]
673it [2:02:20, 10.59s/it]
674it [2:02:30, 10.60s/it]
675it [2:02:41, 10.60s/it]
676it [2:02:51, 10.59s/it]
677it [2:03:02, 10.59s/it]
678it [2:03:13, 10.60s/it]
679it [2:03:23, 10.62s/it]
680it [2:03:34, 10.61s/it]
681it [2:03:45, 10.61s/it]
682it [2:03:55, 10.59s/it]
683it [2:04:06, 10.56s/it]
684it [2:04:16, 10.57s/it]
685it [2:04:27, 10.56s/it]
686it [2:04:37, 10.57s/it]
687it [2:04:48, 10.58s/it]
688it [2:04:59, 10.60s/it]
689it [2:05:09, 10.59s/it]
690it [2:05:20, 10.59s/it]
691it [2:05:30, 10.61s/it]
692it [2:05:41, 10.60s/it]
693it [2:05:52, 10.60s/it]
694it [2:06:02, 10.59s/it]
695it [2:06:13, 10.58s/it]
696it [2:06:23, 10.60s/it]
697it [2:06:34, 10.62s/it]
698it [2:06:45, 10.61s/it]
699it [2:06:55, 10.63s/it]
700it [2:07:06, 10.61s/it]
701it [2:07:16, 10.62s/it]
702it [2:07:27, 10.63s/it]
703it [2:07:38, 10.61s/it]
704it [2:07:48, 10.59s/it]
705it [2:07:59, 10.57s/it]
706it [2:08:09, 10.58s/it]
707it [2:08:20, 10.60s/it]
708it [2:08:31, 10.60s/it]
709it [2:08:41, 10.60s/it]
710it [2:08:52, 10.58s/it]
711it [2:09:02, 10.58s/it]
712it [2:09:13, 10.58s/it]
713it [2:09:24, 10.60s/it]
714it [2:09:34, 10.57s/it]
715it [2:09:45, 10.58s/it]
716it [2:09:55, 10.57s/it]
717it [2:10:06, 10.55s/it]
718it [2:10:16, 10.57s/it]
719it [2:10:27, 10.60s/it]
720it [2:10:37, 10.57s/it]
721it [2:10:48, 10.59s/it]
722it [2:10:59, 10.60s/it]
723it [2:11:09, 10.58s/it]
724it [2:11:20, 10.62s/it]
725it [2:11:31, 10.65s/it]
726it [2:11:41, 10.65s/it]
727it [2:11:52, 10.64s/it]
728it [2:12:03, 10.63s/it]
729it [2:12:13, 10.65s/it]
730it [2:12:24, 10.65s/it]
731it [2:12:34, 10.62s/it]
732it [2:12:45, 10.61s/it]
733it [2:12:56, 10.63s/it]
734it [2:13:06, 10.63s/it]
735it [2:13:17, 10.63s/it]
736it [2:13:28, 10.63s/it]
737it [2:13:38, 10.65s/it]
738it [2:13:49, 10.67s/it]
739it [2:14:00, 10.68s/it]
740it [2:14:10, 10.66s/it]
741it [2:14:21, 10.67s/it]
742it [2:14:32, 10.67s/it]
743it [2:14:42, 10.65s/it]
744it [2:14:53, 10.66s/it]
745it [2:15:04, 10.66s/it]
746it [2:15:14, 10.67s/it]
747it [2:15:25, 10.68s/it]
748it [2:15:36, 10.69s/it]
749it [2:15:46, 10.66s/it]
750it [2:15:57, 10.68s/it]
751it [2:16:08, 10.68s/it]
752it [2:16:18, 10.69s/it]
753it [2:16:29, 10.68s/it]
754it [2:16:40, 10.67s/it]
755it [2:16:50, 10.65s/it]
756it [2:17:01, 10.65s/it]
757it [2:17:12, 10.66s/it]
758it [2:17:22, 10.65s/it]
759it [2:17:33, 10.66s/it]
760it [2:17:44, 10.64s/it]
761it [2:17:54, 10.64s/it]
762it [2:18:05, 10.65s/it]
763it [2:18:15, 10.63s/it]
764it [2:18:26, 10.62s/it]
765it [2:18:37, 10.61s/it]
766it [2:18:47, 10.61s/it]
767it [2:18:58, 10.62s/it]
768it [2:19:09, 10.62s/it]
769it [2:19:19, 10.64s/it]
770it [2:19:30, 10.64s/it]
771it [2:19:40, 10.62s/it]
772it [2:19:51, 10.60s/it]
773it [2:20:02, 10.58s/it]
774it [2:20:12, 10.57s/it]
775it [2:20:23, 10.61s/it]
776it [2:20:33, 10.62s/it]
777it [2:20:44, 10.59s/it]
778it [2:20:55, 10.63s/it]
779it [2:21:05, 10.65s/it]
780it [2:21:16, 10.63s/it]
781it [2:21:27, 10.66s/it]
782it [2:21:37, 10.69s/it]
783it [2:21:48, 10.67s/it]
784it [2:21:59, 10.65s/it]
785it [2:22:09, 10.64s/it]
786it [2:22:20, 10.62s/it]
787it [2:22:30, 10.62s/it]
788it [2:22:41, 10.60s/it]
789it [2:22:52, 10.61s/it]
790it [2:23:02, 10.61s/it]
791it [2:23:13, 10.61s/it]
792it [2:23:23, 10.61s/it]
793it [2:23:34, 10.60s/it]
794it [2:23:45, 10.61s/it]
795it [2:23:55, 10.62s/it]
796it [2:24:06, 10.62s/it]
797it [2:24:17, 10.61s/it]
798it [2:24:27, 10.63s/it]
799it [2:24:38, 10.63s/it]
800it [2:24:48, 10.64s/it]
801it [2:24:59, 10.67s/it]
802it [2:25:10, 10.67s/it]
803it [2:25:21, 10.65s/it]
804it [2:25:31, 10.68s/it]
805it [2:25:42, 10.70s/it]
806it [2:25:53, 10.67s/it]
807it [2:26:03, 10.71s/it]
808it [2:26:14, 10.69s/it]
809it [2:26:25, 10.66s/it]
810it [2:26:35, 10.68s/it]
811it [2:26:46, 10.66s/it]
812it [2:26:57, 10.64s/it]
813it [2:27:07, 10.66s/it]
814it [2:27:18, 10.66s/it]
815it [2:27:29, 10.66s/it]
816it [2:27:39, 10.66s/it]
817it [2:27:50, 10.67s/it]
818it [2:28:01, 10.66s/it]
819it [2:28:11, 10.69s/it]
820it [2:28:22, 10.66s/it]
821it [2:28:32, 10.63s/it]
822it [2:28:43, 10.62s/it]
823it [2:28:54, 10.61s/it]
824it [2:29:04, 10.62s/it]
825it [2:29:15, 10.61s/it]
826it [2:29:25, 10.60s/it]
827it [2:29:36, 10.58s/it]
828it [2:29:47, 10.58s/it]
829it [2:29:57, 10.58s/it]
830it [2:30:08, 10.59s/it]
831it [2:30:18, 10.57s/it]
832it [2:30:29, 10.56s/it]
833it [2:30:39, 10.56s/it]
834it [2:30:50, 10.56s/it]
835it [2:31:01, 10.57s/it]
836it [2:31:11, 10.57s/it]
837it [2:31:22, 10.57s/it]
838it [2:31:32, 10.58s/it]
839it [2:31:43, 10.60s/it]
840it [2:31:54, 10.60s/it]
841it [2:32:04, 10.63s/it]
842it [2:32:15, 10.64s/it]
843it [2:32:25, 10.62s/it]
844it [2:32:36, 10.63s/it]
845it [2:32:47, 10.62s/it]
846it [2:32:57, 10.60s/it]
847it [2:33:08, 10.59s/it]
848it [2:33:18, 10.60s/it]
849it [2:33:29, 10.59s/it]
850it [2:33:40, 10.64s/it]
851it [2:33:50, 10.65s/it]
852it [2:34:01, 10.65s/it]
853it [2:34:12, 10.62s/it]
854it [2:34:22, 10.61s/it]
855it [2:34:33, 10.61s/it]
856it [2:34:43, 10.57s/it]
857it [2:34:54, 10.61s/it]
858it [2:35:05, 10.60s/it]
859it [2:35:15, 10.59s/it]
860it [2:35:26, 10.58s/it]
861it [2:35:36, 10.62s/it]
862it [2:35:47, 10.59s/it]
863it [2:35:58, 10.60s/it]
864it [2:36:08, 10.60s/it]
865it [2:36:19, 10.60s/it]
866it [2:36:29, 10.60s/it]
867it [2:36:40, 10.60s/it]
868it [2:36:50, 10.57s/it]
869it [2:37:01, 10.56s/it]
870it [2:37:12, 10.54s/it]
871it [2:37:22, 10.53s/it]
872it [2:37:33, 10.54s/it]
873it [2:37:43, 10.56s/it]
874it [2:37:54, 10.56s/it]
875it [2:38:04, 10.55s/it]
876it [2:38:15, 10.55s/it]
877it [2:38:25, 10.54s/it]
878it [2:38:36, 10.56s/it]
879it [2:38:47, 10.56s/it]
880it [2:38:57, 10.57s/it]
881it [2:39:08, 10.58s/it]
882it [2:39:18, 10.55s/it]
883it [2:39:29, 10.53s/it]
884it [2:39:39, 10.55s/it]
885it [2:39:50, 10.54s/it]
886it [2:40:00, 10.55s/it]
887it [2:40:11, 10.55s/it]
888it [2:40:21, 10.52s/it]
889it [2:40:32, 10.52s/it]
890it [2:40:42, 10.51s/it]
891it [2:40:53, 10.50s/it]
892it [2:41:03, 10.52s/it]
893it [2:41:14, 10.53s/it]
894it [2:41:24, 10.50s/it]
895it [2:41:35, 10.52s/it]
896it [2:41:46, 10.54s/it]
897it [2:41:56, 10.56s/it]
898it [2:42:07, 10.58s/it]
899it [2:42:17, 10.56s/it]
900it [2:42:28, 10.56s/it]
901it [2:42:38, 10.52s/it]
902it [2:42:49, 10.50s/it]
903it [2:42:59, 10.51s/it]
904it [2:43:10, 10.52s/it]
905it [2:43:20, 10.52s/it]
906it [2:43:31, 10.51s/it]
907it [2:43:41, 10.51s/it]
908it [2:43:52, 10.48s/it]
909it [2:44:02, 10.48s/it]
910it [2:44:13, 10.49s/it]
911it [2:44:23, 10.48s/it]
912it [2:44:34, 10.48s/it]
913it [2:44:44, 10.48s/it]
914it [2:44:55, 10.48s/it]
915it [2:45:05, 10.50s/it]
916it [2:45:16, 10.49s/it]
917it [2:45:26, 10.50s/it]
918it [2:45:37, 10.52s/it]
919it [2:45:47, 10.49s/it]
920it [2:45:58, 10.51s/it]
921it [2:46:08, 10.54s/it]
922it [2:46:19, 10.54s/it]
923it [2:46:29, 10.54s/it]
924it [2:46:40, 10.56s/it]
925it [2:46:51, 10.54s/it]
926it [2:47:01, 10.59s/it]
927it [2:47:12, 10.59s/it]
928it [2:47:22, 10.57s/it]
929it [2:47:33, 10.56s/it]
930it [2:47:43, 10.57s/it]
931it [2:47:54, 10.59s/it]
932it [2:48:05, 10.56s/it]
933it [2:48:15, 10.54s/it]
934it [2:48:26, 10.55s/it]
935it [2:48:36, 10.55s/it]
936it [2:48:47, 10.55s/it]
937it [2:48:57, 10.58s/it]
938it [2:49:08, 10.57s/it]
939it [2:49:18, 10.55s/it]
940it [2:49:29, 10.56s/it]
941it [2:49:39, 10.53s/it]
942it [2:49:50, 10.52s/it]
943it [2:50:00, 10.51s/it]
944it [2:50:11, 10.51s/it]
945it [2:50:21, 10.50s/it]
946it [2:50:32, 10.50s/it]
947it [2:50:42, 10.49s/it]
948it [2:50:53, 10.52s/it]
949it [2:51:04, 10.52s/it]
950it [2:51:14, 10.51s/it]
951it [2:51:25, 10.53s/it]
952it [2:51:35, 10.53s/it]
953it [2:51:46, 10.53s/it]
954it [2:51:56, 10.52s/it]
955it [2:52:07, 10.55s/it]
956it [2:52:17, 10.54s/it]
957it [2:52:28, 10.54s/it]
958it [2:52:38, 10.54s/it]
959it [2:52:49, 10.53s/it]
960it [2:52:59, 10.54s/it]
961it [2:53:10, 10.51s/it]
962it [2:53:20, 10.51s/it]
963it [2:53:31, 10.53s/it]
964it [2:53:42, 10.54s/it]
965it [2:53:52, 10.55s/it]
966it [2:54:03, 10.55s/it]
967it [2:54:13, 10.55s/it]
968it [2:54:24, 10.55s/it]
969it [2:54:34, 10.54s/it]
970it [2:54:45, 10.54s/it]
971it [2:54:55, 10.55s/it]
972it [2:55:06, 10.56s/it]
973it [2:55:16, 10.55s/it]
974it [2:55:27, 10.57s/it]
975it [2:55:38, 10.54s/it]
976it [2:55:48, 10.52s/it]
977it [2:55:59, 10.52s/it]
978it [2:56:09, 10.52s/it]
979it [2:56:20, 10.52s/it]
980it [2:56:30, 10.54s/it]
981it [2:56:41, 10.54s/it]
982it [2:56:51, 10.54s/it]
983it [2:57:02, 10.54s/it]
984it [2:57:12, 10.55s/it]
985it [2:57:23, 10.58s/it]
986it [2:57:34, 10.59s/it]
987it [2:57:44, 10.55s/it]
988it [2:57:55, 10.54s/it]
989it [2:58:05, 10.53s/it]
990it [2:58:16, 10.52s/it]
991it [2:58:26, 10.54s/it]
992it [2:58:37, 10.56s/it]
993it [2:58:47, 10.56s/it]
994it [2:58:58, 10.55s/it]
995it [2:59:08, 10.54s/it]
996it [2:59:19, 10.52s/it]
997it [2:59:29, 10.52s/it]
998it [2:59:40, 10.52s/it]
999it [2:59:50, 10.54s/it]
1000it [3:00:01, 10.52s/it]
1000it [3:00:01, 10.80s/it]
Error counts:
	cyclic_id: 0
	cyclic_inchikey: 0
	cyclic_scaffold: 0
	cyclic_mwt: 0
	cyclic_clogp: 0
	cyclic_tpsa: 0
⏰ Completed process in 8:41:40.733456

0it [00:00, ?it/s]
1it [00:00,  7.97it/s]
2it [00:00,  8.68it/s]
3it [00:00,  9.05it/s]
4it [00:00,  9.26it/s]
5it [00:00,  9.38it/s]
6it [00:00,  9.41it/s]
7it [00:00,  9.45it/s]
8it [00:00,  9.45it/s]
9it [00:00,  9.47it/s]
10it [00:01,  9.45it/s]
11it [00:01,  9.45it/s]
12it [00:01,  9.46it/s]
13it [00:01,  9.44it/s]
14it [00:01,  9.44it/s]
15it [00:01,  9.48it/s]
16it [00:01,  9.52it/s]
17it [00:01,  9.48it/s]
18it [00:01,  9.52it/s]
19it [00:02,  9.52it/s]
20it [00:02,  9.49it/s]
21it [00:02,  9.42it/s]
22it [00:02,  9.47it/s]
23it [00:02,  9.46it/s]
24it [00:02,  9.48it/s]
25it [00:02,  9.52it/s]
26it [00:02,  9.46it/s]
27it [00:02,  9.50it/s]
28it [00:02,  9.51it/s]
29it [00:03,  9.53it/s]
30it [00:03,  9.51it/s]
31it [00:03,  9.51it/s]
32it [00:03,  9.50it/s]
33it [00:03,  9.52it/s]
34it [00:03,  9.49it/s]
35it [00:03,  9.45it/s]
36it [00:03,  9.47it/s]
37it [00:03,  9.48it/s]
38it [00:04,  9.51it/s]
39it [00:04,  9.50it/s]
40it [00:04,  9.52it/s]
41it [00:04,  9.47it/s]
42it [00:04,  9.48it/s]
43it [00:04,  9.52it/s]
44it [00:04,  9.50it/s]
45it [00:04,  9.50it/s]
46it [00:04,  9.53it/s]
47it [00:04,  9.55it/s]
48it [00:05,  9.57it/s]
49it [00:05,  9.51it/s]
50it [00:05,  9.54it/s]
51it [00:05,  9.53it/s]
52it [00:05,  9.51it/s]
53it [00:05,  9.49it/s]
54it [00:05,  9.48it/s]
55it [00:05,  9.47it/s]
56it [00:05,  9.47it/s]
57it [00:06,  9.42it/s]
58it [00:06,  9.42it/s]
59it [00:06,  9.45it/s]
60it [00:06,  9.46it/s]
61it [00:06,  9.45it/s]
62it [00:06,  9.42it/s]
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Split counts:
	train: 674000
	test: 164000
	validation: 162000
⏰ Completed process in 8:43:27.319045
++ date
+ echo 'Sat  2 Nov 00:41:17 GMT 2024 :: 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-23000000-24000000.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-23000000-24000000.csv.gz
+ split_dir=20241101_peptides_6-12x100M/train
++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-23000000-24000000.csv.gz .csv.gz
+ split_file=20241101_peptides_6-12x100M/train/peptides_length-10_n-100000000_slice-23000000-24000000.csv.gz
+ mkdir -p 20241101_peptides_6-12x100M/train
++ date
+ echo 'Sat  2 Nov 00:41:17 GMT 2024 :: Saving train...'
Sat  2 Nov 00:41:17 GMT 2024 :: Saving train...
+ zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-23000000-24000000.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 00:42:15 GMT 2024 :: 20241101_peptides_6-12x100M/train/peptides_length-10_n-100000000_slice-23000000-24000000.csv.gz'
+ for split in train test validation
++ dirname 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-23000000-24000000.csv.gz
+ split_dir=20241101_peptides_6-12x100M/test
++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-23000000-24000000.csv.gz .csv.gz
+ split_file=20241101_peptides_6-12x100M/test/peptides_length-10_n-100000000_slice-23000000-24000000.csv.gz
+ mkdir -p 20241101_peptides_6-12x100M/test
++ date
+ echo 'Sat  2 Nov 00:42:15 GMT 2024 :: Saving test...'
Sat  2 Nov 00:42:15 GMT 2024 :: Saving test...
+ zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-23000000-24000000.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 00:42:40 GMT 2024 :: 20241101_peptides_6-12x100M/test/peptides_length-10_n-100000000_slice-23000000-24000000.csv.gz'
+ for split in train test validation
++ dirname 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-23000000-24000000.csv.gz
+ split_dir=20241101_peptides_6-12x100M/validation
++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-23000000-24000000.csv.gz .csv.gz
+ split_file=20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-23000000-24000000.csv.gz
+ mkdir -p 20241101_peptides_6-12x100M/validation
++ date
+ echo 'Sat  2 Nov 00:42:40 GMT 2024 :: Saving validation...'
Sat  2 Nov 00:42:40 GMT 2024 :: Saving validation...
+ zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-23000000-24000000.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 00:43:06 GMT 2024 :: 20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-23000000-24000000.csv.gz'
+ '[' -e 20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-23000000-24000000.csv.gz.success ']'
+ rm 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-23000000-24000000.csv.gz 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-23000000-24000000.csv.gz.success
+ set +x
Sat  2 Nov 00:43:06 GMT 2024 > Peptide generation complete