Fri  1 Nov 16:01:13 GMT 2024 > Generating peptides on cn075
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 16:01:13 GMT 2024 > Running /camp/apps/eb/software/Anaconda3/2023.03/bin/python : Python 3.10.10
Fri  1 Nov 16:01:13 GMT 2024 > Using Conda from .
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Fri  1 Nov 16:01:13 GMT 2024 > Seed = 1; length = 10; max. number = 100000000; slice = 48000000 to 49000000; output dir. = 20241101_peptides_6-12x100M
Fri  1 Nov 16:01:13 GMT 2024 > There are 10240000000000 peptides of length 10; generating 100000000 (0.000976563 %)
Fri  1 Nov 16:01:13 GMT 2024 > Saving a slice to 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-48000000-49000000.csv.gz...
+ schemist enumerate --seed 1 --max-length 10 --prefix GY --suffix CGSGSGS --number 9.76563e-06 --slice 48000000 49000000
+ 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
+ tr '	' ,
+ schemist split --type random --train 0.7 --test 0.15 --column cysteine_to_N_cyclization --seed 1
+ gzip --best
+ schemist convert --column SMILES --to id inchikey scaffold mwt clogp tpsa --prefix linear_ --options prefix=SCB-
🚀 Converting between string representations with the following parameters:
	subcommand: convert
	output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'>
	format: None
	input: <_io.TextIOWrapper name='<stdin>' mode='r' encoding='utf-8'>
	representation: SMILES
	column: SMILES
	prefix: linear_
	to: ['id', 'inchikey', 'scaffold', 'mwt', 'clogp', 'tpsa']
	options: ['prefix=SCB-']
	func: <function _convert at 0x7f701ad27240>
🚀 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 0x7fab0eeaf4c0>
🚀 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 0x7facfd613240>
🚀 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 0x7f12ff2939c0>
🚀 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: ['48000000', '49000000']
	seed: 1
	prefix: GY
	suffix: CGSGSGS
	type: aa
	d_aa_only: False
	include_d_aa: False
	func: <function _enum at 0x7f2a71d3b880>
Sampling 100000051 (0.000976562998046875 %) peptides from length 10 to 10 (10240000000000 combinations). Probability of collision if drawing randomly is 1.0, with 976.9924758407456 (0.000976991977574837 %) collisions on average.
> Executing naive sampling. 

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866it [17:20,  1.08s/it]
867it [17:21,  1.08s/it]
868it [17:22,  1.07s/it]
869it [17:23,  1.07s/it]
870it [17:24,  1.07s/it]
871it [17:25,  1.07s/it]
872it [17:26,  1.06s/it]
873it [17:27,  1.06s/it]
874it [17:28,  1.06s/it]
875it [17:29,  1.05s/it]
876it [17:30,  1.05s/it]
877it [17:31,  1.04s/it]
878it [17:32,  1.04s/it]
879it [17:33,  1.04s/it]
880it [17:34,  1.05s/it]
881it [17:36,  1.05s/it]
882it [17:37,  1.05s/it]
883it [17:38,  1.05s/it]
884it [17:39,  1.05s/it]
885it [17:40,  1.05s/it]
886it [17:41,  1.05s/it]
887it [17:42,  1.04s/it]
888it [17:43,  1.04s/it]
889it [17:44,  1.04s/it]
890it [17:45,  1.04s/it]
891it [17:46,  1.05s/it]
892it [17:47,  1.05s/it]
893it [17:48,  1.05s/it]
894it [17:49,  1.04s/it]
895it [17:50,  1.04s/it]
896it [17:51,  1.04s/it]
897it [17:52,  1.04s/it]
898it [17:53,  1.04s/it]
899it [17:54,  1.04s/it]
900it [17:55,  1.04s/it]
901it [17:56,  1.05s/it]
902it [17:57,  1.05s/it]
903it [17:59,  1.05s/it]
904it [18:00,  1.04s/it]
905it [18:01,  1.06s/it]
906it [18:02,  1.05s/it]
907it [18:03,  1.05s/it]
908it [18:04,  1.05s/it]
909it [18:05,  1.05s/it]
910it [18:06,  1.05s/it]
911it [18:07,  1.05s/it]
912it [18:08,  1.06s/it]
913it [18:09,  1.06s/it]
914it [18:10,  1.05s/it]
915it [18:11,  1.05s/it]
916it [18:12,  1.05s/it]
917it [18:13,  1.05s/it]
918it [18:14,  1.05s/it]
919it [18:15,  1.05s/it]
920it [18:16,  1.05s/it]
921it [18:17,  1.05s/it]
922it [18:19,  1.05s/it]
923it [18:20,  1.06s/it]
924it [18:21,  1.06s/it]
925it [18:22,  1.06s/it]
926it [18:23,  1.05s/it]
927it [18:24,  1.05s/it]
928it [18:25,  1.05s/it]
929it [18:26,  1.04s/it]
930it [18:27,  1.05s/it]
931it [18:28,  1.05s/it]
932it [18:29,  1.05s/it]
933it [18:30,  1.05s/it]
934it [18:31,  1.06s/it]
935it [18:32,  1.04s/it]
936it [18:33,  1.04s/it]
937it [18:34,  1.04s/it]
938it [18:35,  1.04s/it]
939it [18:36,  1.05s/it]
940it [18:37,  1.04s/it]
941it [18:38,  1.04s/it]
942it [18:39,  1.04s/it]
943it [18:40,  1.05s/it]
944it [18:42,  1.04s/it]
945it [18:43,  1.04s/it]
946it [18:44,  1.04s/it]
947it [18:45,  1.03s/it]
948it [18:46,  1.03s/it]
949it [18:47,  1.02s/it]
950it [18:48,  1.02s/it]
951it [18:49,  1.02s/it]
952it [18:50,  1.03s/it]
953it [18:51,  1.04s/it]
954it [18:52,  1.04s/it]
955it [18:53,  1.03s/it]
956it [18:54,  1.03s/it]
957it [18:55,  1.03s/it]
958it [18:56,  1.02s/it]
959it [18:57,  1.02s/it]
960it [18:58,  1.02s/it]
961it [18:59,  1.02s/it]
962it [19:00,  1.03s/it]
963it [19:01,  1.05s/it]
964it [19:02,  1.04s/it]
965it [19:03,  1.04s/it]
966it [19:04,  1.03s/it]
967it [19:05,  1.03s/it]
968it [19:06,  1.03s/it]
969it [19:07,  1.03s/it]
970it [19:08,  1.02s/it]
971it [19:09,  1.03s/it]
972it [19:10,  1.04s/it]
973it [19:11,  1.04s/it]
974it [19:12,  1.03s/it]
975it [19:13,  1.03s/it]
976it [19:15,  1.03s/it]
977it [19:16,  1.03s/it]
978it [19:17,  1.04s/it]
979it [19:18,  1.05s/it]
980it [19:19,  1.05s/it]
981it [19:20,  1.07s/it]
982it [19:21,  1.08s/it]
983it [19:22,  1.07s/it]
984it [19:23,  1.06s/it]
985it [19:24,  1.06s/it]
986it [19:25,  1.06s/it]
987it [19:26,  1.06s/it]
988it [19:27,  1.06s/it]
989it [19:28,  1.06s/it]
990it [19:29,  1.07s/it]
991it [19:31,  1.08s/it]
992it [19:32,  1.08s/it]
993it [19:33,  1.07s/it]
994it [19:34,  1.07s/it]
995it [19:35,  1.07s/it]
996it [19:36,  1.06s/it]
997it [19:37,  1.06s/it]
998it [19:38,  1.06s/it]
999it [19:39,  1.05s/it]
1000it [19:40,  1.05s/it]
1000it [19:40,  1.18s/it]
Enumerated peptides:
	Number of peptides: 1000000
Conversion errors:
	SMILES: 0
⏰ Completed process in 0:19:40.532510

0it [00:00, ?it/s]
1it [00:11, 11.69s/it]
2it [00:23, 11.57s/it]
3it [00:34, 11.57s/it]
4it [00:46, 11.67s/it]
5it [00:58, 11.71s/it]
6it [01:10, 11.71s/it]
7it [01:21, 11.62s/it]
8it [01:32, 11.57s/it]
9it [01:44, 11.54s/it]
10it [01:56, 11.61s/it]
11it [02:07, 11.64s/it]
12it [02:19, 11.62s/it]
13it [02:30, 11.56s/it]
14it [02:42, 11.49s/it]
15it [02:53, 11.48s/it]
16it [03:05, 11.49s/it]
17it [03:17, 11.61s/it]
18it [03:28, 11.60s/it]
19it [03:40, 11.61s/it]
20it [03:51, 11.59s/it]
21it [04:03, 11.58s/it]
22it [04:15, 11.64s/it]
23it [04:26, 11.66s/it]
24it [04:38, 11.62s/it]
25it [04:49, 11.58s/it]
26it [05:01, 11.54s/it]
27it [05:12, 11.57s/it]
28it [05:24, 11.63s/it]
29it [05:36, 11.68s/it]
30it [05:47, 11.59s/it]
31it [05:59, 11.54s/it]
32it [06:10, 11.50s/it]
33it [06:22, 11.56s/it]
34it [06:34, 11.61s/it]
35it [06:45, 11.66s/it]
36it [06:57, 11.63s/it]
37it [07:09, 11.63s/it]
38it [07:20, 11.68s/it]
39it [07:32, 11.68s/it]
40it [07:44, 11.71s/it]
41it [07:55, 11.65s/it]
42it [08:07, 11.60s/it]
43it [08:18, 11.56s/it]
44it [08:30, 11.56s/it]
45it [08:42, 11.62s/it]
46it [08:53, 11.65s/it]
47it [09:05, 11.60s/it]
48it [09:16, 11.58s/it]
49it [09:28, 11.55s/it]
50it [09:40, 11.60s/it]
51it [09:51, 11.65s/it]
52it [10:03, 11.66s/it]
53it [10:15, 11.62s/it]
54it [10:26, 11.57s/it]
55it [10:38, 11.58s/it]
56it [10:49, 11.60s/it]
57it [11:01, 11.66s/it]
58it [11:13, 11.66s/it]
59it [11:24, 11.59s/it]
60it [11:36, 11.55s/it]
61it [11:47, 11.56s/it]
62it [11:59, 11.63s/it]
63it [12:11, 11.66s/it]
64it [12:22, 11.64s/it]
65it [12:34, 11.58s/it]
66it [12:45, 11.57s/it]
67it [12:57, 11.59s/it]
68it [13:09, 11.60s/it]
69it [13:20, 11.61s/it]
70it [13:32, 11.59s/it]
71it [13:43, 11.57s/it]
72it [13:55, 11.55s/it]
73it [14:07, 11.60s/it]
74it [14:18, 11.65s/it]
75it [14:30, 11.65s/it]
76it [14:41, 11.61s/it]
77it [14:53, 11.56s/it]
78it [15:05, 11.58s/it]
79it [15:16, 11.62s/it]
80it [15:28, 11.63s/it]
81it [15:39, 11.61s/it]
82it [15:51, 11.63s/it]
83it [16:03, 11.58s/it]
84it [16:14, 11.60s/it]
85it [16:26, 11.65s/it]
86it [16:38, 11.65s/it]
87it [16:49, 11.65s/it]
88it [17:01, 11.63s/it]
89it [17:13, 11.65s/it]
90it [17:24, 11.66s/it]
91it [17:36, 11.68s/it]
92it [17:48, 11.70s/it]
93it [17:59, 11.67s/it]
94it [18:11, 11.65s/it]
95it [18:23, 11.66s/it]
96it [18:34, 11.67s/it]
97it [18:46, 11.69s/it]
98it [18:58, 11.73s/it]
99it [19:10, 11.70s/it]
100it [19:21, 11.68s/it]
101it [19:33, 11.68s/it]
102it [19:44, 11.64s/it]
103it [19:56, 11.65s/it]
104it [20:08, 11.64s/it]
105it [20:19, 11.64s/it]
106it [20:31, 11.62s/it]
107it [20:42, 11.60s/it]
108it [20:54, 11.57s/it]
109it [21:06, 11.57s/it]
110it [21:17, 11.59s/it]
111it [21:29, 11.58s/it]
112it [21:40, 11.55s/it]
113it [21:51, 11.47s/it]
114it [22:03, 11.50s/it]
115it [22:15, 11.54s/it]
116it [22:26, 11.58s/it]
117it [22:38, 11.55s/it]
118it [22:49, 11.51s/it]
119it [23:01, 11.49s/it]
120it [23:12, 11.52s/it]
121it [23:24, 11.53s/it]
122it [23:35, 11.53s/it]
123it [23:47, 11.51s/it]
124it [23:58, 11.46s/it]
125it [24:10, 11.47s/it]
126it [24:21, 11.52s/it]
127it [24:33, 11.53s/it]
128it [24:44, 11.51s/it]
129it [24:56, 11.43s/it]
130it [25:07, 11.38s/it]
131it [25:18, 11.39s/it]
132it [25:30, 11.44s/it]
133it [25:41, 11.51s/it]
134it [25:53, 11.55s/it]
135it [26:05, 11.53s/it]
136it [26:16, 11.51s/it]
137it [26:28, 11.53s/it]
138it [26:39, 11.59s/it]
139it [26:51, 11.60s/it]
140it [27:02, 11.56s/it]
141it [27:14, 11.47s/it]
142it [27:25, 11.42s/it]
143it [27:36, 11.43s/it]
144it [27:48, 11.49s/it]
145it [28:00, 11.51s/it]
146it [28:11, 11.47s/it]
147it [28:22, 11.41s/it]
148it [28:34, 11.38s/it]
149it [28:45, 11.40s/it]
150it [28:57, 11.46s/it]
151it [29:08, 11.52s/it]
152it [29:20, 11.48s/it]
153it [29:31, 11.43s/it]
154it [29:42, 11.41s/it]
155it [29:54, 11.45s/it]
156it [30:05, 11.48s/it]
157it [30:17, 11.55s/it]
158it [30:29, 11.51s/it]
159it [30:40, 11.47s/it]
160it [30:51, 11.47s/it]
161it [31:03, 11.47s/it]
162it [31:15, 11.57s/it]
163it [31:26, 11.60s/it]
164it [31:38, 11.52s/it]
165it [31:49, 11.45s/it]
166it [32:00, 11.42s/it]
167it [32:12, 11.45s/it]
168it [32:24, 11.53s/it]
169it [32:35, 11.57s/it]
170it [32:47, 11.54s/it]
171it [32:58, 11.53s/it]
172it [33:10, 11.56s/it]
173it [33:21, 11.56s/it]
174it [33:33, 11.51s/it]
175it [33:44, 11.42s/it]
176it [33:55, 11.44s/it]
177it [34:07, 11.46s/it]
178it [34:19, 11.53s/it]
179it [34:30, 11.56s/it]
180it [34:42, 11.57s/it]
181it [34:53, 11.57s/it]
182it [35:05, 11.48s/it]
183it [35:16, 11.45s/it]
184it [35:28, 11.46s/it]
185it [35:39, 11.49s/it]
186it [35:51, 11.51s/it]
187it [36:02, 11.52s/it]
188it [36:14, 11.54s/it]
189it [36:25, 11.51s/it]
190it [36:37, 11.51s/it]
191it [36:48, 11.50s/it]
192it [37:00, 11.51s/it]
193it [37:11, 11.50s/it]
194it [37:23, 11.47s/it]
195it [37:34, 11.43s/it]
196it [37:46, 11.46s/it]
197it [37:57, 11.46s/it]
198it [38:08, 11.46s/it]
199it [38:20, 11.45s/it]
200it [38:31, 11.41s/it]
201it [38:43, 11.44s/it]
202it [38:54, 11.42s/it]
203it [39:05, 11.36s/it]
204it [39:17, 11.34s/it]
205it [39:28, 11.35s/it]
206it [39:39, 11.28s/it]
207it [39:50, 11.25s/it]
208it [40:02, 11.30s/it]
209it [40:13, 11.32s/it]
210it [40:25, 11.39s/it]
211it [40:36, 11.44s/it]
212it [40:48, 11.45s/it]
213it [40:59, 11.43s/it]
214it [41:11, 11.47s/it]
215it [41:22, 11.49s/it]
216it [41:34, 11.46s/it]
217it [41:45, 11.48s/it]
218it [41:57, 11.50s/it]
219it [42:08, 11.47s/it]
220it [42:19, 11.45s/it]
221it [42:31, 11.47s/it]
222it [42:42, 11.48s/it]
223it [42:54, 11.48s/it]
224it [43:06, 11.52s/it]
225it [43:17, 11.51s/it]
226it [43:28, 11.48s/it]
227it [43:40, 11.47s/it]
228it [43:51, 11.48s/it]
229it [44:03, 11.48s/it]
230it [44:14, 11.47s/it]
231it [44:26, 11.47s/it]
232it [44:37, 11.41s/it]
233it [44:49, 11.44s/it]
234it [45:00, 11.46s/it]
235it [45:11, 11.45s/it]
236it [45:23, 11.46s/it]
237it [45:34, 11.46s/it]
238it [45:46, 11.48s/it]
239it [45:57, 11.49s/it]
240it [46:09, 11.54s/it]
241it [46:21, 11.53s/it]
242it [46:32, 11.58s/it]
243it [46:44, 11.59s/it]
244it [46:56, 11.65s/it]
245it [47:07, 11.62s/it]
246it [47:19, 11.63s/it]
247it [47:30, 11.58s/it]
248it [47:42, 11.57s/it]
249it [47:54, 11.58s/it]
250it [48:05, 11.61s/it]
251it [48:17, 11.63s/it]
252it [48:29, 11.64s/it]
253it [48:40, 11.60s/it]
254it [48:51, 11.54s/it]
255it [49:03, 11.52s/it]
256it [49:15, 11.58s/it]
257it [49:26, 11.56s/it]
258it [49:38, 11.57s/it]
259it [49:49, 11.59s/it]
260it [50:01, 11.53s/it]
261it [50:12, 11.57s/it]
262it [50:24, 11.57s/it]
263it [50:35, 11.42s/it]
264it [50:46, 11.39s/it]
265it [50:58, 11.45s/it]
266it [51:09, 11.43s/it]
267it [51:21, 11.47s/it]
268it [51:32, 11.42s/it]
269it [51:44, 11.43s/it]
270it [51:55, 11.42s/it]
271it [52:07, 11.49s/it]
272it [52:18, 11.53s/it]
273it [52:30, 11.52s/it]
274it [52:41, 11.46s/it]
275it [52:53, 11.45s/it]
276it [53:04, 11.44s/it]
277it [53:16, 11.51s/it]
278it [53:27, 11.56s/it]
279it [53:39, 11.54s/it]
280it [53:50, 11.51s/it]
281it [54:02, 11.50s/it]
282it [54:13, 11.51s/it]
283it [54:25, 11.56s/it]
284it [54:37, 11.54s/it]
285it [54:48, 11.50s/it]
286it [54:59, 11.44s/it]
287it [55:11, 11.43s/it]
288it [55:22, 11.41s/it]
289it [55:33, 11.38s/it]
290it [55:45, 11.42s/it]
291it [55:56, 11.47s/it]
292it [56:08, 11.44s/it]
293it [56:19, 11.41s/it]
294it [56:30, 11.40s/it]
295it [56:42, 11.39s/it]
296it [56:53, 11.40s/it]
297it [57:05, 11.45s/it]
298it [57:16, 11.46s/it]
299it [57:28, 11.41s/it]
300it [57:39, 11.36s/it]
301it [57:50, 11.32s/it]
302it [58:01, 11.29s/it]
303it [58:13, 11.29s/it]
304it [58:24, 11.26s/it]
305it [58:35, 11.23s/it]
306it [58:46, 11.22s/it]
307it [58:57, 11.19s/it]
308it [59:08, 11.20s/it]
309it [59:20, 11.23s/it]
310it [59:31, 11.26s/it]
311it [59:42, 11.24s/it]
312it [59:53, 11.19s/it]
313it [1:00:05, 11.18s/it]
314it [1:00:16, 11.18s/it]
315it [1:00:27, 11.18s/it]
316it [1:00:38, 11.22s/it]
317it [1:00:49, 11.21s/it]
318it [1:01:00, 11.15s/it]
319it [1:01:11, 11.11s/it]
320it [1:01:23, 11.11s/it]
321it [1:01:34, 11.14s/it]
322it [1:01:45, 11.19s/it]
323it [1:01:57, 11.29s/it]
324it [1:02:08, 11.31s/it]
325it [1:02:19, 11.29s/it]
326it [1:02:30, 11.28s/it]
327it [1:02:42, 11.24s/it]
328it [1:02:53, 11.26s/it]
329it [1:03:04, 11.29s/it]
330it [1:03:16, 11.38s/it]
331it [1:03:27, 11.36s/it]
332it [1:03:38, 11.33s/it]
333it [1:03:50, 11.30s/it]
334it [1:04:01, 11.25s/it]
335it [1:04:12, 11.30s/it]
336it [1:04:23, 11.27s/it]
337it [1:04:34, 11.21s/it]
338it [1:04:46, 11.19s/it]
339it [1:04:57, 11.17s/it]
340it [1:05:08, 11.20s/it]
341it [1:05:19, 11.27s/it]
342it [1:05:31, 11.33s/it]
343it [1:05:42, 11.32s/it]
344it [1:05:53, 11.28s/it]
345it [1:06:05, 11.24s/it]
346it [1:06:16, 11.18s/it]
347it [1:06:27, 11.18s/it]
348it [1:06:38, 11.18s/it]
349it [1:06:49, 11.14s/it]
350it [1:07:00, 11.13s/it]
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952it [3:01:28, 11.38s/it]
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954it [3:01:51, 11.36s/it]
955it [3:02:02, 11.35s/it]
956it [3:02:13, 11.34s/it]
957it [3:02:25, 11.31s/it]
958it [3:02:36, 11.30s/it]
959it [3:02:47, 11.31s/it]
960it [3:02:59, 11.30s/it]
961it [3:03:10, 11.30s/it]
962it [3:03:21, 11.31s/it]
963it [3:03:32, 11.31s/it]
964it [3:03:44, 11.29s/it]
965it [3:03:55, 11.29s/it]
966it [3:04:06, 11.28s/it]
967it [3:04:17, 11.25s/it]
968it [3:04:29, 11.26s/it]
969it [3:04:40, 11.22s/it]
970it [3:04:51, 11.22s/it]
971it [3:05:02, 11.20s/it]
972it [3:05:13, 11.20s/it]
973it [3:05:25, 11.20s/it]
974it [3:05:36, 11.19s/it]
975it [3:05:47, 11.19s/it]
976it [3:05:58, 11.20s/it]
977it [3:06:09, 11.19s/it]
978it [3:06:20, 11.18s/it]
979it [3:06:32, 11.16s/it]
980it [3:06:43, 11.14s/it]
981it [3:06:54, 11.13s/it]
982it [3:07:05, 11.14s/it]
983it [3:07:16, 11.13s/it]
984it [3:07:27, 11.10s/it]
985it [3:07:38, 11.10s/it]
986it [3:07:49, 11.10s/it]
987it [3:08:00, 11.09s/it]
988it [3:08:12, 11.12s/it]
989it [3:08:23, 11.13s/it]
990it [3:08:34, 11.13s/it]
991it [3:08:45, 11.13s/it]
992it [3:08:56, 11.11s/it]
993it [3:09:07, 11.09s/it]
994it [3:09:18, 11.09s/it]
995it [3:09:29, 11.11s/it]
996it [3:09:40, 11.13s/it]
997it [3:09:52, 11.11s/it]
998it [3:10:03, 11.11s/it]
999it [3:10:14, 11.11s/it]
1000it [3:10:25, 11.11s/it]
1000it [3:10:25, 11.43s/it]
Error counts:
	linear_id: 0
	linear_inchikey: 0
	linear_scaffold: 0
	linear_mwt: 0
	linear_clogp: 0
	linear_tpsa: 0
⏰ Completed process in 3:30:06.508415

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702it [1:43:48,  8.76s/it]
703it [1:43:56,  8.76s/it]
704it [1:44:05,  8.77s/it]
705it [1:44:14,  8.81s/it]
706it [1:44:23,  8.79s/it]
707it [1:44:32,  8.78s/it]
708it [1:44:41,  8.82s/it]
709it [1:44:49,  8.86s/it]
710it [1:44:58,  8.87s/it]
711it [1:45:07,  8.90s/it]
712it [1:45:16,  8.89s/it]
713it [1:45:25,  8.91s/it]
714it [1:45:34,  8.90s/it]
715it [1:45:43,  8.88s/it]
716it [1:45:52,  8.89s/it]
717it [1:46:01,  8.92s/it]
718it [1:46:10,  8.92s/it]
719it [1:46:19,  8.97s/it]
720it [1:46:28,  8.97s/it]
721it [1:46:37,  8.98s/it]
722it [1:46:46,  8.97s/it]
723it [1:46:55,  8.93s/it]
724it [1:47:04,  8.96s/it]
725it [1:47:13,  8.96s/it]
726it [1:47:22,  8.99s/it]
727it [1:47:31,  8.99s/it]
728it [1:47:40,  9.01s/it]
729it [1:47:49,  9.05s/it]
730it [1:47:58,  9.05s/it]
731it [1:48:07,  9.01s/it]
732it [1:48:16,  9.00s/it]
733it [1:48:25,  8.99s/it]
734it [1:48:34,  8.99s/it]
735it [1:48:43,  8.98s/it]
736it [1:48:52,  8.98s/it]
737it [1:49:01,  9.01s/it]
738it [1:49:10,  9.05s/it]
739it [1:49:19,  9.04s/it]
740it [1:49:28,  9.03s/it]
741it [1:49:37,  9.02s/it]
742it [1:49:46,  8.97s/it]
743it [1:49:55,  8.95s/it]
744it [1:50:03,  8.92s/it]
745it [1:50:12,  8.94s/it]
746it [1:50:21,  8.94s/it]
747it [1:50:30,  8.95s/it]
748it [1:50:39,  8.93s/it]
749it [1:50:48,  8.90s/it]
750it [1:50:57,  8.90s/it]
751it [1:51:06,  8.90s/it]
752it [1:51:15,  8.89s/it]
753it [1:51:24,  8.96s/it]
754it [1:51:33,  9.08s/it]
755it [1:51:42,  9.14s/it]
756it [1:51:52,  9.17s/it]
757it [1:52:01,  9.21s/it]
758it [1:52:10,  9.20s/it]
759it [1:52:20,  9.24s/it]
760it [1:52:29,  9.27s/it]
761it [1:52:38,  9.24s/it]
762it [1:52:47,  9.24s/it]
763it [1:52:56,  9.21s/it]
764it [1:53:06,  9.20s/it]
765it [1:53:15,  9.18s/it]
766it [1:53:24,  9.14s/it]
767it [1:53:33,  9.14s/it]
768it [1:53:42,  9.11s/it]
769it [1:53:51,  9.17s/it]
770it [1:54:01,  9.19s/it]
771it [1:54:10,  9.17s/it]
772it [1:54:19,  9.16s/it]
773it [1:54:28,  9.15s/it]
774it [1:54:37,  9.16s/it]
775it [1:54:46,  9.17s/it]
776it [1:54:55,  9.16s/it]
777it [1:55:05,  9.19s/it]
778it [1:55:14,  9.17s/it]
779it [1:55:23,  9.21s/it]
780it [1:55:32,  9.20s/it]
781it [1:55:42,  9.20s/it]
782it [1:55:51,  9.20s/it]
783it [1:56:00,  9.15s/it]
784it [1:56:09,  9.13s/it]
785it [1:56:18,  9.15s/it]
786it [1:56:27,  9.14s/it]
787it [1:56:36,  9.12s/it]
788it [1:56:45,  9.08s/it]
789it [1:56:54,  9.07s/it]
790it [1:57:03,  9.06s/it]
791it [1:57:12,  9.03s/it]
792it [1:57:21,  9.00s/it]
793it [1:57:30,  9.02s/it]
794it [1:57:39,  9.02s/it]
795it [1:57:48,  9.01s/it]
796it [1:57:57,  8.97s/it]
797it [1:58:06,  8.93s/it]
798it [1:58:15,  8.95s/it]
799it [1:58:24,  8.95s/it]
800it [1:58:33,  8.97s/it]
801it [1:58:42,  8.98s/it]
802it [1:58:51,  8.95s/it]
803it [1:59:00,  8.95s/it]
804it [1:59:09,  8.94s/it]
805it [1:59:18,  8.93s/it]
806it [1:59:26,  8.91s/it]
807it [1:59:35,  8.91s/it]
808it [1:59:44,  8.89s/it]
809it [1:59:53,  8.87s/it]
810it [2:00:02,  8.88s/it]
811it [2:00:11,  8.90s/it]
812it [2:00:20,  8.91s/it]
813it [2:00:29,  8.91s/it]
814it [2:00:38,  8.91s/it]
815it [2:00:47,  8.93s/it]
816it [2:00:56,  8.95s/it]
817it [2:01:05,  8.96s/it]
818it [2:01:13,  8.94s/it]
819it [2:01:22,  8.96s/it]
820it [2:01:31,  8.93s/it]
821it [2:01:40,  8.92s/it]
822it [2:01:49,  8.93s/it]
823it [2:01:58,  8.95s/it]
824it [2:02:07,  8.95s/it]
825it [2:02:16,  8.97s/it]
826it [2:02:25,  8.97s/it]
827it [2:02:34,  9.00s/it]
828it [2:02:43,  8.99s/it]
829it [2:02:52,  8.94s/it]
830it [2:03:01,  8.93s/it]
831it [2:03:10,  8.89s/it]
832it [2:03:18,  8.85s/it]
833it [2:03:27,  8.88s/it]
834it [2:03:36,  8.88s/it]
835it [2:03:45,  8.91s/it]
836it [2:03:54,  8.91s/it]
837it [2:04:03,  8.93s/it]
838it [2:04:12,  8.89s/it]
839it [2:04:21,  8.84s/it]
840it [2:04:29,  8.84s/it]
841it [2:04:38,  8.86s/it]
842it [2:04:47,  8.90s/it]
843it [2:04:56,  8.86s/it]
844it [2:05:05,  8.83s/it]
845it [2:05:14,  8.77s/it]
846it [2:05:22,  8.74s/it]
847it [2:05:31,  8.71s/it]
848it [2:05:40,  8.71s/it]
849it [2:05:48,  8.73s/it]
850it [2:05:57,  8.78s/it]
851it [2:06:06,  8.78s/it]
852it [2:06:15,  8.79s/it]
853it [2:06:24,  8.77s/it]
854it [2:06:32,  8.79s/it]
855it [2:06:41,  8.80s/it]
856it [2:06:50,  8.81s/it]
857it [2:06:59,  8.84s/it]
858it [2:07:08,  8.84s/it]
859it [2:07:17,  8.81s/it]
860it [2:07:25,  8.81s/it]
861it [2:07:34,  8.81s/it]
862it [2:07:43,  8.79s/it]
863it [2:07:52,  8.79s/it]
864it [2:08:00,  8.80s/it]
865it [2:08:09,  8.80s/it]
866it [2:08:18,  8.83s/it]
867it [2:08:27,  8.83s/it]
868it [2:08:36,  8.84s/it]
869it [2:08:45,  8.85s/it]
870it [2:08:54,  8.84s/it]
871it [2:09:02,  8.82s/it]
872it [2:09:11,  8.79s/it]
873it [2:09:20,  8.78s/it]
874it [2:09:29,  8.78s/it]
875it [2:09:37,  8.79s/it]
876it [2:09:46,  8.81s/it]
877it [2:09:55,  8.80s/it]
878it [2:10:04,  8.78s/it]
879it [2:10:12,  8.75s/it]
880it [2:10:21,  8.74s/it]
881it [2:10:30,  8.75s/it]
882it [2:10:39,  8.73s/it]
883it [2:10:47,  8.69s/it]
884it [2:10:56,  8.65s/it]
885it [2:11:05,  8.71s/it]
886it [2:11:14,  8.86s/it]
887it [2:11:23,  8.95s/it]
888it [2:11:32,  9.01s/it]
889it [2:11:41,  9.09s/it]
890it [2:11:51,  9.11s/it]
891it [2:12:00,  9.14s/it]
892it [2:12:09,  9.17s/it]
893it [2:12:18,  9.16s/it]
894it [2:12:27,  9.18s/it]
895it [2:12:37,  9.18s/it]
896it [2:12:46,  9.17s/it]
897it [2:12:55,  9.18s/it]
898it [2:13:04,  9.18s/it]
899it [2:13:13,  9.17s/it]
900it [2:13:23,  9.19s/it]
901it [2:13:32,  9.17s/it]
902it [2:13:41,  9.18s/it]
903it [2:13:50,  9.15s/it]
904it [2:13:59,  9.15s/it]
905it [2:14:08,  9.14s/it]
906it [2:14:17,  9.15s/it]
907it [2:14:26,  9.14s/it]
908it [2:14:36,  9.14s/it]
909it [2:14:45,  9.12s/it]
910it [2:14:54,  9.09s/it]
911it [2:15:03,  9.08s/it]
912it [2:15:12,  9.07s/it]
913it [2:15:21,  9.02s/it]
914it [2:15:30,  8.99s/it]
915it [2:15:39,  9.00s/it]
916it [2:15:48,  9.03s/it]
917it [2:15:57,  9.06s/it]
918it [2:16:06,  9.07s/it]
919it [2:16:15,  9.08s/it]
920it [2:16:24,  9.08s/it]
921it [2:16:33,  9.07s/it]
922it [2:16:42,  9.07s/it]
923it [2:16:51,  9.06s/it]
924it [2:17:00,  9.06s/it]
925it [2:17:10,  9.08s/it]
926it [2:17:19,  9.09s/it]
927it [2:17:28,  9.11s/it]
928it [2:17:37,  9.20s/it]
929it [2:17:47,  9.25s/it]
930it [2:17:56,  9.22s/it]
931it [2:18:05,  9.21s/it]
932it [2:18:14,  9.19s/it]
933it [2:18:23,  9.15s/it]
934it [2:18:32,  9.15s/it]
935it [2:18:41,  9.14s/it]
936it [2:18:50,  9.09s/it]
937it [2:18:59,  9.02s/it]
938it [2:19:08,  8.94s/it]
939it [2:19:17,  8.88s/it]
940it [2:19:25,  8.82s/it]
941it [2:19:34,  8.79s/it]
942it [2:19:43,  8.78s/it]
943it [2:19:52,  8.78s/it]
944it [2:20:00,  8.81s/it]
945it [2:20:09,  8.77s/it]
946it [2:20:18,  8.76s/it]
947it [2:20:27,  8.73s/it]
948it [2:20:35,  8.71s/it]
949it [2:20:44,  8.67s/it]
950it [2:20:52,  8.65s/it]
951it [2:21:01,  8.65s/it]
952it [2:21:10,  8.63s/it]
953it [2:21:18,  8.62s/it]
954it [2:21:27,  8.62s/it]
955it [2:21:36,  8.64s/it]
956it [2:21:44,  8.65s/it]
957it [2:21:53,  8.65s/it]
958it [2:22:02,  8.66s/it]
959it [2:22:10,  8.65s/it]
960it [2:22:19,  8.72s/it]
961it [2:22:28,  8.78s/it]
962it [2:22:37,  8.80s/it]
963it [2:22:46,  8.82s/it]
964it [2:22:55,  8.84s/it]
965it [2:23:03,  8.83s/it]
966it [2:23:12,  8.82s/it]
967it [2:23:21,  8.82s/it]
968it [2:23:30,  8.82s/it]
969it [2:23:39,  8.82s/it]
970it [2:23:47,  8.80s/it]
971it [2:23:56,  8.82s/it]
972it [2:24:05,  8.85s/it]
973it [2:24:14,  8.84s/it]
974it [2:24:23,  8.79s/it]
975it [2:24:31,  8.73s/it]
976it [2:24:40,  8.70s/it]
977it [2:24:48,  8.64s/it]
978it [2:24:57,  8.64s/it]
979it [2:25:06,  8.67s/it]
980it [2:25:15,  8.69s/it]
981it [2:25:23,  8.73s/it]
982it [2:25:32,  8.72s/it]
983it [2:25:41,  8.70s/it]
984it [2:25:49,  8.69s/it]
985it [2:25:58,  8.69s/it]
986it [2:26:07,  8.70s/it]
987it [2:26:15,  8.70s/it]
988it [2:26:24,  8.71s/it]
989it [2:26:33,  8.72s/it]
990it [2:26:42,  8.73s/it]
991it [2:26:50,  8.72s/it]
992it [2:26:59,  8.72s/it]
993it [2:27:08,  8.71s/it]
994it [2:27:16,  8.68s/it]
995it [2:27:25,  8.69s/it]
996it [2:27:34,  8.69s/it]
997it [2:27:42,  8.69s/it]
998it [2:27:51,  8.69s/it]
999it [2:28:00,  8.71s/it]
1000it [2:28:09,  8.72s/it]
1000it [2:28:09,  8.89s/it]
Error counts:
	cysteine_to_N_cyclization: 0
⏰ Completed process in 5:58:16.392313

0it [00:00, ?it/s]
1it [00:11, 11.19s/it]
2it [00:22, 11.18s/it]
3it [00:33, 11.15s/it]
4it [00:44, 11.15s/it]
5it [00:55, 11.15s/it]
6it [01:06, 11.16s/it]
7it [01:18, 11.15s/it]
8it [01:29, 11.16s/it]
9it [01:40, 11.16s/it]
10it [01:51, 11.18s/it]
11it [02:02, 11.16s/it]
12it [02:13, 11.15s/it]
13it [02:25, 11.15s/it]
14it [02:36, 11.15s/it]
15it [02:47, 11.14s/it]
16it [02:58, 11.14s/it]
17it [03:09, 11.13s/it]
18it [03:20, 11.10s/it]
19it [03:31, 11.12s/it]
20it [03:42, 11.15s/it]
21it [03:54, 11.16s/it]
22it [04:05, 11.17s/it]
23it [04:16, 11.17s/it]
24it [04:27, 11.12s/it]
25it [04:38, 11.13s/it]
26it [04:49, 11.11s/it]
27it [05:00, 11.13s/it]
28it [05:12, 11.12s/it]
29it [05:23, 11.14s/it]
30it [05:34, 11.13s/it]
31it [05:45, 11.11s/it]
32it [05:56, 11.11s/it]
33it [06:07, 11.11s/it]
34it [06:18, 11.09s/it]
35it [06:29, 11.09s/it]
36it [06:40, 11.09s/it]
37it [06:51, 11.06s/it]
38it [07:02, 11.07s/it]
39it [07:13, 11.01s/it]
40it [07:24, 11.01s/it]
41it [07:35, 10.99s/it]
42it [07:46, 10.98s/it]
43it [07:57, 10.98s/it]
44it [08:08, 10.98s/it]
45it [08:19, 10.98s/it]
46it [08:30, 11.00s/it]
47it [08:41, 10.98s/it]
48it [08:52, 10.99s/it]
49it [09:03, 10.98s/it]
50it [09:14, 10.98s/it]
51it [09:25, 10.98s/it]
52it [09:36, 10.98s/it]
53it [09:47, 11.00s/it]
54it [09:58, 10.97s/it]
55it [10:09, 10.99s/it]
56it [10:20, 10.99s/it]
57it [10:31, 10.99s/it]
58it [10:42, 11.02s/it]
59it [10:53, 11.05s/it]
60it [11:04, 11.06s/it]
61it [11:15, 11.08s/it]
62it [11:26, 11.10s/it]
63it [11:38, 11.10s/it]
64it [11:49, 11.10s/it]
65it [12:00, 11.10s/it]
66it [12:11, 11.11s/it]
67it [12:22, 11.10s/it]
68it [12:33, 11.11s/it]
69it [12:44, 11.10s/it]
70it [12:55, 11.12s/it]
71it [13:07, 11.17s/it]
72it [13:18, 11.16s/it]
73it [13:29, 11.12s/it]
74it [13:40, 11.09s/it]
75it [13:51, 11.04s/it]
76it [14:02, 10.95s/it]
77it [14:12, 10.92s/it]
78it [14:23, 10.91s/it]
79it [14:34, 10.89s/it]
80it [14:45, 10.92s/it]
81it [14:56, 10.93s/it]
82it [15:07, 10.95s/it]
83it [15:18, 10.96s/it]
84it [15:29, 10.97s/it]
85it [15:40, 10.96s/it]
86it [15:51, 10.96s/it]
87it [16:02, 10.96s/it]
88it [16:13, 10.96s/it]
89it [16:24, 10.98s/it]
90it [16:35, 10.99s/it]
91it [16:46, 11.00s/it]
92it [16:57, 10.99s/it]
93it [17:08, 10.96s/it]
94it [17:19, 10.95s/it]
95it [17:30, 11.02s/it]
96it [17:41, 11.03s/it]
97it [17:52, 11.08s/it]
98it [18:03, 11.10s/it]
99it [18:14, 11.11s/it]
100it [18:26, 11.10s/it]
101it [18:37, 11.16s/it]
102it [18:48, 11.18s/it]
103it [18:59, 11.15s/it]
104it [19:10, 11.10s/it]
105it [19:21, 11.10s/it]
106it [19:32, 11.07s/it]
107it [19:43, 11.09s/it]
108it [19:55, 11.13s/it]
109it [20:06, 11.14s/it]
110it [20:17, 11.17s/it]
111it [20:28, 11.18s/it]
112it [20:39, 11.17s/it]
113it [20:50, 11.16s/it]
114it [21:02, 11.17s/it]
115it [21:13, 11.17s/it]
116it [21:24, 11.17s/it]
117it [21:35, 11.15s/it]
118it [21:46, 11.12s/it]
119it [21:57, 11.09s/it]
120it [22:08, 11.10s/it]
121it [22:20, 11.16s/it]
122it [22:31, 11.19s/it]
123it [22:42, 11.24s/it]
124it [22:54, 11.26s/it]
125it [23:05, 11.26s/it]
126it [23:16, 11.25s/it]
127it [23:27, 11.23s/it]
128it [23:38, 11.23s/it]
129it [23:50, 11.23s/it]
130it [24:01, 11.23s/it]
131it [24:12, 11.18s/it]
132it [24:23, 11.11s/it]
133it [24:34, 11.05s/it]
134it [24:45, 11.02s/it]
135it [24:56, 11.03s/it]
136it [25:07, 11.06s/it]
137it [25:18, 11.06s/it]
138it [25:29, 11.06s/it]
139it [25:40, 11.06s/it]
140it [25:51, 11.06s/it]
141it [26:02, 11.02s/it]
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617it [1:52:13, 10.64s/it]
618it [1:52:24, 10.65s/it]
619it [1:52:34, 10.66s/it]
620it [1:52:45, 10.65s/it]
621it [1:52:56, 10.65s/it]
622it [1:53:06, 10.65s/it]
623it [1:53:17, 10.67s/it]
624it [1:53:28, 10.68s/it]
625it [1:53:38, 10.68s/it]
626it [1:53:49, 10.68s/it]
627it [1:54:00, 10.69s/it]
628it [1:54:11, 10.70s/it]
629it [1:54:21, 10.69s/it]
630it [1:54:32, 10.69s/it]
631it [1:54:43, 10.70s/it]
632it [1:54:53, 10.69s/it]
633it [1:55:04, 10.68s/it]
634it [1:55:15, 10.69s/it]
635it [1:55:25, 10.69s/it]
636it [1:55:36, 10.69s/it]
637it [1:55:47, 10.68s/it]
638it [1:55:57, 10.69s/it]
639it [1:56:08, 10.71s/it]
640it [1:56:19, 10.71s/it]
641it [1:56:30, 10.71s/it]
642it [1:56:40, 10.71s/it]
643it [1:56:51, 10.70s/it]
644it [1:57:02, 10.68s/it]
645it [1:57:12, 10.66s/it]
646it [1:57:23, 10.64s/it]
647it [1:57:33, 10.62s/it]
648it [1:57:44, 10.61s/it]
649it [1:57:55, 10.60s/it]
650it [1:58:05, 10.60s/it]
651it [1:58:16, 10.60s/it]
652it [1:58:26, 10.60s/it]
653it [1:58:37, 10.58s/it]
654it [1:58:48, 10.59s/it]
655it [1:58:58, 10.60s/it]
656it [1:59:09, 10.61s/it]
657it [1:59:19, 10.63s/it]
658it [1:59:30, 10.62s/it]
659it [1:59:41, 10.68s/it]
660it [1:59:52, 10.68s/it]
661it [2:00:02, 10.67s/it]
662it [2:00:13, 10.64s/it]
663it [2:00:23, 10.65s/it]
664it [2:00:34, 10.64s/it]
665it [2:00:45, 10.63s/it]
666it [2:00:55, 10.62s/it]
667it [2:01:06, 10.62s/it]
668it [2:01:17, 10.63s/it]
669it [2:01:27, 10.63s/it]
670it [2:01:38, 10.61s/it]
671it [2:01:48, 10.61s/it]
672it [2:01:59, 10.62s/it]
673it [2:02:10, 10.61s/it]
674it [2:02:20, 10.65s/it]
675it [2:02:31, 10.64s/it]
676it [2:02:42, 10.62s/it]
677it [2:02:52, 10.63s/it]
678it [2:03:03, 10.61s/it]
679it [2:03:13, 10.61s/it]
680it [2:03:24, 10.61s/it]
681it [2:03:35, 10.63s/it]
682it [2:03:45, 10.64s/it]
683it [2:03:56, 10.65s/it]
684it [2:04:07, 10.64s/it]
685it [2:04:17, 10.67s/it]
686it [2:04:28, 10.67s/it]
687it [2:04:39, 10.65s/it]
688it [2:04:49, 10.66s/it]
689it [2:05:00, 10.65s/it]
690it [2:05:10, 10.63s/it]
691it [2:05:21, 10.61s/it]
692it [2:05:32, 10.61s/it]
693it [2:05:42, 10.62s/it]
694it [2:05:53, 10.63s/it]
695it [2:06:04, 10.68s/it]
696it [2:06:14, 10.69s/it]
697it [2:06:25, 10.69s/it]
698it [2:06:36, 10.70s/it]
699it [2:06:47, 10.69s/it]
700it [2:06:57, 10.67s/it]
701it [2:07:08, 10.63s/it]
702it [2:07:18, 10.65s/it]
703it [2:07:29, 10.65s/it]
704it [2:07:40, 10.65s/it]
705it [2:07:50, 10.68s/it]
706it [2:08:01, 10.67s/it]
707it [2:08:12, 10.71s/it]
708it [2:08:23, 10.71s/it]
709it [2:08:33, 10.68s/it]
710it [2:08:44, 10.69s/it]
711it [2:08:55, 10.68s/it]
712it [2:09:05, 10.67s/it]
713it [2:09:16, 10.68s/it]
714it [2:09:27, 10.68s/it]
715it [2:09:37, 10.64s/it]
716it [2:09:48, 10.66s/it]
717it [2:09:59, 10.67s/it]
718it [2:10:09, 10.66s/it]
719it [2:10:20, 10.68s/it]
720it [2:10:31, 10.68s/it]
721it [2:10:41, 10.69s/it]
722it [2:10:52, 10.67s/it]
723it [2:11:03, 10.65s/it]
724it [2:11:13, 10.65s/it]
725it [2:11:24, 10.64s/it]
726it [2:11:34, 10.63s/it]
727it [2:11:45, 10.66s/it]
728it [2:11:56, 10.66s/it]
729it [2:12:06, 10.66s/it]
730it [2:12:17, 10.65s/it]
731it [2:12:28, 10.66s/it]
732it [2:12:38, 10.66s/it]
733it [2:12:49, 10.66s/it]
734it [2:13:00, 10.64s/it]
735it [2:13:10, 10.64s/it]
736it [2:13:21, 10.65s/it]
737it [2:13:32, 10.63s/it]
738it [2:13:42, 10.62s/it]
739it [2:13:53, 10.64s/it]
740it [2:14:04, 10.66s/it]
741it [2:14:14, 10.65s/it]
742it [2:14:25, 10.69s/it]
743it [2:14:36, 10.72s/it]
744it [2:14:46, 10.70s/it]
745it [2:14:57, 10.67s/it]
746it [2:15:08, 10.67s/it]
747it [2:15:18, 10.65s/it]
748it [2:15:29, 10.66s/it]
749it [2:15:40, 10.65s/it]
750it [2:15:50, 10.66s/it]
751it [2:16:01, 10.70s/it]
752it [2:16:12, 10.69s/it]
753it [2:16:22, 10.66s/it]
754it [2:16:33, 10.68s/it]
755it [2:16:44, 10.67s/it]
756it [2:16:54, 10.70s/it]
757it [2:17:05, 10.69s/it]
758it [2:17:16, 10.68s/it]
759it [2:17:26, 10.67s/it]
760it [2:17:37, 10.70s/it]
761it [2:17:48, 10.69s/it]
762it [2:17:59, 10.74s/it]
763it [2:18:09, 10.72s/it]
764it [2:18:20, 10.71s/it]
765it [2:18:31, 10.71s/it]
766it [2:18:42, 10.71s/it]
767it [2:18:52, 10.71s/it]
768it [2:19:03, 10.68s/it]
769it [2:19:14, 10.69s/it]
770it [2:19:24, 10.67s/it]
771it [2:19:35, 10.68s/it]
772it [2:19:46, 10.70s/it]
773it [2:19:56, 10.71s/it]
774it [2:20:07, 10.71s/it]
775it [2:20:18, 10.70s/it]
776it [2:20:28, 10.67s/it]
777it [2:20:39, 10.69s/it]
778it [2:20:50, 10.68s/it]
779it [2:21:00, 10.70s/it]
780it [2:21:11, 10.71s/it]
781it [2:21:22, 10.70s/it]
782it [2:21:33, 10.72s/it]
783it [2:21:43, 10.72s/it]
784it [2:21:54, 10.73s/it]
785it [2:22:05, 10.73s/it]
786it [2:22:16, 10.72s/it]
787it [2:22:26, 10.72s/it]
788it [2:22:37, 10.73s/it]
789it [2:22:48, 10.74s/it]
790it [2:22:59, 10.74s/it]
791it [2:23:09, 10.75s/it]
792it [2:23:20, 10.75s/it]
793it [2:23:31, 10.75s/it]
794it [2:23:42, 10.79s/it]
795it [2:23:52, 10.78s/it]
796it [2:24:03, 10.78s/it]
797it [2:24:14, 10.78s/it]
798it [2:24:25, 10.78s/it]
799it [2:24:36, 10.77s/it]
800it [2:24:46, 10.76s/it]
801it [2:24:57, 10.74s/it]
802it [2:25:08, 10.72s/it]
803it [2:25:18, 10.76s/it]
804it [2:25:29, 10.76s/it]
805it [2:25:40, 10.74s/it]
806it [2:25:51, 10.74s/it]
807it [2:26:01, 10.75s/it]
808it [2:26:12, 10.73s/it]
809it [2:26:23, 10.72s/it]
810it [2:26:34, 10.71s/it]
811it [2:26:44, 10.72s/it]
812it [2:26:55, 10.72s/it]
813it [2:27:06, 10.70s/it]
814it [2:27:16, 10.71s/it]
815it [2:27:27, 10.76s/it]
816it [2:27:38, 10.74s/it]
817it [2:27:49, 10.72s/it]
818it [2:27:59, 10.73s/it]
819it [2:28:10, 10.73s/it]
820it [2:28:21, 10.71s/it]
821it [2:28:32, 10.73s/it]
822it [2:28:42, 10.74s/it]
823it [2:28:53, 10.76s/it]
824it [2:29:04, 10.76s/it]
825it [2:29:14, 10.72s/it]
826it [2:29:25, 10.70s/it]
827it [2:29:36, 10.71s/it]
828it [2:29:47, 10.70s/it]
829it [2:29:57, 10.71s/it]
830it [2:30:08, 10.71s/it]
831it [2:30:19, 10.67s/it]
832it [2:30:29, 10.65s/it]
833it [2:30:40, 10.67s/it]
834it [2:30:51, 10.66s/it]
835it [2:31:01, 10.69s/it]
836it [2:31:12, 10.68s/it]
837it [2:31:23, 10.70s/it]
838it [2:31:33, 10.70s/it]
839it [2:31:44, 10.71s/it]
840it [2:31:55, 10.71s/it]
841it [2:32:06, 10.71s/it]
842it [2:32:16, 10.71s/it]
843it [2:32:27, 10.68s/it]
844it [2:32:37, 10.66s/it]
845it [2:32:48, 10.64s/it]
846it [2:32:59, 10.63s/it]
847it [2:33:09, 10.62s/it]
848it [2:33:20, 10.62s/it]
849it [2:33:31, 10.64s/it]
850it [2:33:41, 10.63s/it]
851it [2:33:52, 10.63s/it]
852it [2:34:02, 10.65s/it]
853it [2:34:13, 10.63s/it]
854it [2:34:24, 10.62s/it]
855it [2:34:34, 10.63s/it]
856it [2:34:45, 10.63s/it]
857it [2:34:56, 10.73s/it]
858it [2:35:07, 10.80s/it]
859it [2:35:18, 10.82s/it]
860it [2:35:29, 10.88s/it]
861it [2:35:40, 10.85s/it]
862it [2:35:50, 10.78s/it]
863it [2:36:01, 10.76s/it]
864it [2:36:12, 10.80s/it]
865it [2:36:22, 10.75s/it]
866it [2:36:33, 10.71s/it]
867it [2:36:44, 10.69s/it]
868it [2:36:54, 10.66s/it]
869it [2:37:05, 10.67s/it]
870it [2:37:16, 10.66s/it]
871it [2:37:26, 10.64s/it]
872it [2:37:37, 10.65s/it]
873it [2:37:48, 10.66s/it]
874it [2:37:58, 10.65s/it]
875it [2:38:09, 10.65s/it]
876it [2:38:19, 10.64s/it]
877it [2:38:30, 10.62s/it]
878it [2:38:41, 10.62s/it]
879it [2:38:51, 10.62s/it]
880it [2:39:02, 10.64s/it]
881it [2:39:13, 10.65s/it]
882it [2:39:23, 10.64s/it]
883it [2:39:34, 10.63s/it]
884it [2:39:45, 10.64s/it]
885it [2:39:55, 10.63s/it]
886it [2:40:06, 10.62s/it]
887it [2:40:16, 10.63s/it]
888it [2:40:27, 10.66s/it]
889it [2:40:38, 10.73s/it]
890it [2:40:49, 10.74s/it]
891it [2:40:59, 10.74s/it]
892it [2:41:10, 10.75s/it]
893it [2:41:21, 10.78s/it]
894it [2:41:32, 10.73s/it]
895it [2:41:42, 10.71s/it]
896it [2:41:53, 10.69s/it]
897it [2:42:04, 10.70s/it]
898it [2:42:15, 10.72s/it]
899it [2:42:25, 10.76s/it]
900it [2:42:36, 10.82s/it]
901it [2:42:47, 10.88s/it]
902it [2:42:58, 10.91s/it]
903it [2:43:09, 10.89s/it]
904it [2:43:20, 10.88s/it]
905it [2:43:31, 10.85s/it]
906it [2:43:42, 10.88s/it]
907it [2:43:53, 10.91s/it]
908it [2:44:04, 10.90s/it]
909it [2:44:14, 10.87s/it]
910it [2:44:25, 10.86s/it]
911it [2:44:36, 10.89s/it]
912it [2:44:47, 10.88s/it]
913it [2:44:58, 10.88s/it]
914it [2:45:09, 10.89s/it]
915it [2:45:20, 10.91s/it]
916it [2:45:31, 10.90s/it]
917it [2:45:42, 10.88s/it]
918it [2:45:52, 10.86s/it]
919it [2:46:03, 10.87s/it]
920it [2:46:14, 10.86s/it]
921it [2:46:25, 10.83s/it]
922it [2:46:36, 10.81s/it]
923it [2:46:46, 10.83s/it]
924it [2:46:57, 10.83s/it]
925it [2:47:08, 10.85s/it]
926it [2:47:19, 10.85s/it]
927it [2:47:30, 10.83s/it]
928it [2:47:41, 10.84s/it]
929it [2:47:52, 10.87s/it]
930it [2:48:03, 10.87s/it]
931it [2:48:13, 10.89s/it]
932it [2:48:25, 10.95s/it]
933it [2:48:35, 10.90s/it]
934it [2:48:46, 10.89s/it]
935it [2:48:57, 10.87s/it]
936it [2:49:08, 10.86s/it]
937it [2:49:19, 10.87s/it]
938it [2:49:30, 10.85s/it]
939it [2:49:40, 10.84s/it]
940it [2:49:51, 10.83s/it]
941it [2:50:02, 10.94s/it]
942it [2:50:14, 11.05s/it]
943it [2:50:25, 11.00s/it]
944it [2:50:35, 10.96s/it]
945it [2:50:46, 10.92s/it]
946it [2:50:57, 10.91s/it]
947it [2:51:08, 10.87s/it]
948it [2:51:19, 10.87s/it]
949it [2:51:30, 10.85s/it]
950it [2:51:40, 10.84s/it]
951it [2:51:51, 10.83s/it]
952it [2:52:02, 10.83s/it]
953it [2:52:13, 10.79s/it]
954it [2:52:24, 10.80s/it]
955it [2:52:34, 10.80s/it]
956it [2:52:45, 10.81s/it]
957it [2:52:56, 10.79s/it]
958it [2:53:07, 10.80s/it]
959it [2:53:18, 10.79s/it]
960it [2:53:28, 10.79s/it]
961it [2:53:39, 10.80s/it]
962it [2:53:50, 10.81s/it]
963it [2:54:01, 10.83s/it]
964it [2:54:12, 10.82s/it]
965it [2:54:22, 10.80s/it]
966it [2:54:33, 10.79s/it]
967it [2:54:44, 10.77s/it]
968it [2:54:55, 10.79s/it]
969it [2:55:06, 10.79s/it]
970it [2:55:16, 10.81s/it]
971it [2:55:27, 10.81s/it]
972it [2:55:38, 10.80s/it]
973it [2:55:49, 10.82s/it]
974it [2:56:00, 10.80s/it]
975it [2:56:10, 10.79s/it]
976it [2:56:21, 10.80s/it]
977it [2:56:32, 10.77s/it]
978it [2:56:43, 10.78s/it]
979it [2:56:54, 10.80s/it]
980it [2:57:04, 10.79s/it]
981it [2:57:15, 10.75s/it]
982it [2:57:26, 10.74s/it]
983it [2:57:36, 10.71s/it]
984it [2:57:47, 10.70s/it]
985it [2:57:58, 10.68s/it]
986it [2:58:08, 10.67s/it]
987it [2:58:19, 10.65s/it]
988it [2:58:30, 10.66s/it]
989it [2:58:40, 10.66s/it]
990it [2:58:51, 10.67s/it]
991it [2:59:02, 10.67s/it]
992it [2:59:12, 10.64s/it]
993it [2:59:23, 10.65s/it]
994it [2:59:34, 10.67s/it]
995it [2:59:44, 10.67s/it]
996it [2:59:55, 10.73s/it]
997it [3:00:06, 10.72s/it]
998it [3:00:16, 10.69s/it]
999it [3:00:27, 10.67s/it]
1000it [3:00:38, 10.67s/it]
1000it [3:00:38, 10.84s/it]
Error counts:
	cyclic_id: 0
	cyclic_inchikey: 0
	cyclic_scaffold: 0
	cyclic_mwt: 0
	cyclic_clogp: 0
	cyclic_tpsa: 0
⏰ Completed process in 8:58:55.600458

0it [00:00, ?it/s]
1it [00:00,  9.65it/s]
2it [00:00,  9.48it/s]
3it [00:00,  9.44it/s]
4it [00:00,  9.43it/s]
5it [00:00,  9.46it/s]
6it [00:00,  9.48it/s]
7it [00:00,  9.50it/s]
8it [00:00,  9.48it/s]
9it [00:00,  9.48it/s]
10it [00:01,  9.47it/s]
11it [00:01,  9.49it/s]
12it [00:01,  9.50it/s]
13it [00:01,  9.45it/s]
14it [00:01,  9.47it/s]
15it [00:01,  9.46it/s]
16it [00:01,  9.45it/s]
17it [00:01,  9.49it/s]
18it [00:01,  9.48it/s]
19it [00:02,  9.47it/s]
20it [00:02,  9.49it/s]
21it [00:02,  9.47it/s]
22it [00:02,  9.47it/s]
23it [00:02,  9.50it/s]
24it [00:02,  9.49it/s]
25it [00:02,  9.55it/s]
26it [00:02,  9.51it/s]
27it [00:02,  9.42it/s]
28it [00:02,  9.41it/s]
29it [00:03,  9.44it/s]
30it [00:03,  9.47it/s]
31it [00:03,  9.48it/s]
32it [00:03,  9.46it/s]
33it [00:03,  9.49it/s]
34it [00:03,  9.49it/s]
35it [00:03,  9.50it/s]
36it [00:03,  9.49it/s]
37it [00:03,  9.48it/s]
38it [00:04,  9.50it/s]
39it [00:04,  9.50it/s]
40it [00:04,  9.48it/s]
41it [00:04,  9.46it/s]
42it [00:04,  9.45it/s]
43it [00:04,  9.45it/s]
44it [00:04,  9.49it/s]
45it [00:04,  9.50it/s]
46it [00:04,  9.45it/s]
47it [00:04,  9.45it/s]
48it [00:05,  9.44it/s]
49it [00:05,  9.45it/s]
50it [00:05,  9.48it/s]
51it [00:05,  9.47it/s]
52it [00:05,  9.46it/s]
53it [00:05,  9.49it/s]
54it [00:05,  9.46it/s]
55it [00:05,  9.47it/s]
56it [00:05,  9.47it/s]
57it [00:06,  9.46it/s]
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Split counts:
	train: 674000
	test: 164000
	validation: 162000
⏰ Completed process in 9:00:42.750662
++ date
+ echo 'Sat  2 Nov 01:02:06 GMT 2024 :: 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-48000000-49000000.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-48000000-49000000.csv.gz
+ split_dir=20241101_peptides_6-12x100M/train
++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-48000000-49000000.csv.gz .csv.gz
+ split_file=20241101_peptides_6-12x100M/train/peptides_length-10_n-100000000_slice-48000000-49000000.csv.gz
+ mkdir -p 20241101_peptides_6-12x100M/train
++ date
+ echo 'Sat  2 Nov 01:02:06 GMT 2024 :: Saving train...'
Sat  2 Nov 01:02:06 GMT 2024 :: Saving train...
+ zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-48000000-49000000.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 01:03:04 GMT 2024 :: 20241101_peptides_6-12x100M/train/peptides_length-10_n-100000000_slice-48000000-49000000.csv.gz'
+ for split in train test validation
++ dirname 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-48000000-49000000.csv.gz
+ split_dir=20241101_peptides_6-12x100M/test
++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-48000000-49000000.csv.gz .csv.gz
+ split_file=20241101_peptides_6-12x100M/test/peptides_length-10_n-100000000_slice-48000000-49000000.csv.gz
+ mkdir -p 20241101_peptides_6-12x100M/test
++ date
+ echo 'Sat  2 Nov 01:03:04 GMT 2024 :: Saving test...'
Sat  2 Nov 01:03:04 GMT 2024 :: Saving test...
+ zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-48000000-49000000.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 01:03:29 GMT 2024 :: 20241101_peptides_6-12x100M/test/peptides_length-10_n-100000000_slice-48000000-49000000.csv.gz'
+ for split in train test validation
++ dirname 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-48000000-49000000.csv.gz
+ split_dir=20241101_peptides_6-12x100M/validation
++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-48000000-49000000.csv.gz .csv.gz
+ split_file=20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-48000000-49000000.csv.gz
+ mkdir -p 20241101_peptides_6-12x100M/validation
++ date
+ echo 'Sat  2 Nov 01:03:29 GMT 2024 :: Saving validation...'
Sat  2 Nov 01:03:29 GMT 2024 :: Saving validation...
+ zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-48000000-49000000.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 01:03:55 GMT 2024 :: 20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-48000000-49000000.csv.gz'
+ '[' -e 20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-48000000-49000000.csv.gz.success ']'
+ rm 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-48000000-49000000.csv.gz 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-48000000-49000000.csv.gz.success
+ set +x
Sat  2 Nov 01:03:55 GMT 2024 > Peptide generation complete