20241101_peptides_6-12x100M_l-10_n-100000000_slice-2000000-3000000.log

Fri  1 Nov 15:53:41 GMT 2024 > Generating peptides on cn005
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 15:53:41 GMT 2024 > Running /camp/apps/eb/software/Anaconda3/2023.03/bin/python : Python 3.10.10
Fri  1 Nov 15:53:41 GMT 2024 > Using Conda from .
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Fri  1 Nov 15:53:41 GMT 2024 > Seed = 1; length = 10; max. number = 100000000; slice = 2000000 to 3000000; output dir. = 20241101_peptides_6-12x100M
Fri  1 Nov 15:53:41 GMT 2024 > There are 10240000000000 peptides of length 10; generating 100000000 (0.000976563 %)
Fri  1 Nov 15:53:41 GMT 2024 > Saving a slice to 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-2000000-3000000.csv.gz...
+ schemist enumerate --seed 1 --max-length 10 --prefix GY --suffix CGSGSGS --number 9.76563e-06 --slice 2000000 3000000
+ 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-
🚀 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 0x7f4399dd7240>
🚀 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 0x7f1f5dae74c0>
🚀 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 0x7f91b387b240>
🚀 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: ['2000000', '3000000']
	seed: 1
	prefix: GY
	suffix: CGSGSGS
	type: aa
	d_aa_only: False
	include_d_aa: False
	func: <function _enum at 0x7fb216d3b880>
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. 
🚀 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 0x7f62059939c0>

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865it [15:48,  1.05s/it]
866it [15:49,  1.05s/it]
867it [15:50,  1.05s/it]
868it [15:51,  1.05s/it]
869it [15:52,  1.05s/it]
870it [15:53,  1.04s/it]
871it [15:54,  1.05s/it]
872it [15:55,  1.04s/it]
873it [15:56,  1.05s/it]
874it [15:57,  1.05s/it]
875it [15:58,  1.05s/it]
876it [15:59,  1.05s/it]
877it [16:00,  1.05s/it]
878it [16:01,  1.05s/it]
879it [16:02,  1.05s/it]
880it [16:03,  1.06s/it]
881it [16:04,  1.05s/it]
882it [16:05,  1.05s/it]
883it [16:06,  1.04s/it]
884it [16:08,  1.04s/it]
885it [16:09,  1.04s/it]
886it [16:10,  1.04s/it]
887it [16:11,  1.05s/it]
888it [16:12,  1.05s/it]
889it [16:13,  1.05s/it]
890it [16:14,  1.05s/it]
891it [16:15,  1.05s/it]
892it [16:16,  1.05s/it]
893it [16:17,  1.06s/it]
894it [16:18,  1.05s/it]
895it [16:19,  1.06s/it]
896it [16:20,  1.05s/it]
897it [16:21,  1.06s/it]
898it [16:22,  1.06s/it]
899it [16:23,  1.06s/it]
900it [16:24,  1.05s/it]
901it [16:25,  1.06s/it]
902it [16:26,  1.06s/it]
903it [16:28,  1.06s/it]
904it [16:29,  1.06s/it]
905it [16:30,  1.05s/it]
906it [16:31,  1.04s/it]
907it [16:32,  1.04s/it]
908it [16:33,  1.04s/it]
909it [16:34,  1.04s/it]
910it [16:35,  1.05s/it]
911it [16:36,  1.05s/it]
912it [16:37,  1.05s/it]
913it [16:38,  1.05s/it]
914it [16:39,  1.05s/it]
915it [16:40,  1.04s/it]
916it [16:41,  1.05s/it]
917it [16:42,  1.04s/it]
918it [16:43,  1.04s/it]
919it [16:44,  1.04s/it]
920it [16:45,  1.04s/it]
921it [16:46,  1.04s/it]
922it [16:47,  1.03s/it]
923it [16:48,  1.04s/it]
924it [16:49,  1.03s/it]
925it [16:50,  1.03s/it]
926it [16:51,  1.04s/it]
927it [16:53,  1.03s/it]
928it [16:54,  1.04s/it]
929it [16:55,  1.04s/it]
930it [16:56,  1.04s/it]
931it [16:57,  1.03s/it]
932it [16:58,  1.04s/it]
933it [16:59,  1.03s/it]
934it [17:00,  1.03s/it]
935it [17:01,  1.03s/it]
936it [17:02,  1.03s/it]
937it [17:03,  1.03s/it]
938it [17:04,  1.03s/it]
939it [17:05,  1.03s/it]
940it [17:06,  1.03s/it]
941it [17:07,  1.04s/it]
942it [17:08,  1.04s/it]
943it [17:09,  1.04s/it]
944it [17:10,  1.04s/it]
945it [17:11,  1.04s/it]
946it [17:12,  1.05s/it]
947it [17:13,  1.04s/it]
948it [17:14,  1.05s/it]
949it [17:15,  1.05s/it]
950it [17:16,  1.06s/it]
951it [17:18,  1.06s/it]
952it [17:19,  1.06s/it]
953it [17:20,  1.06s/it]
954it [17:21,  1.05s/it]
955it [17:22,  1.05s/it]
956it [17:23,  1.05s/it]
957it [17:24,  1.06s/it]
958it [17:25,  1.05s/it]
959it [17:26,  1.06s/it]
960it [17:27,  1.05s/it]
961it [17:28,  1.06s/it]
962it [17:29,  1.05s/it]
963it [17:30,  1.05s/it]
964it [17:31,  1.05s/it]
965it [17:32,  1.05s/it]
966it [17:33,  1.05s/it]
967it [17:34,  1.06s/it]
968it [17:35,  1.05s/it]
969it [17:36,  1.05s/it]
970it [17:38,  1.05s/it]
971it [17:39,  1.05s/it]
972it [17:40,  1.06s/it]
973it [17:41,  1.06s/it]
974it [17:42,  1.05s/it]
975it [17:43,  1.06s/it]
976it [17:44,  1.06s/it]
977it [17:45,  1.06s/it]
978it [17:46,  1.05s/it]
979it [17:47,  1.05s/it]
980it [17:48,  1.05s/it]
981it [17:49,  1.05s/it]
982it [17:50,  1.05s/it]
983it [17:51,  1.06s/it]
984it [17:52,  1.06s/it]
985it [17:53,  1.04s/it]
986it [17:54,  1.04s/it]
987it [17:55,  1.04s/it]
988it [17:56,  1.04s/it]
989it [17:57,  1.05s/it]
990it [17:59,  1.04s/it]
991it [18:00,  1.04s/it]
992it [18:01,  1.04s/it]
993it [18:02,  1.04s/it]
994it [18:03,  1.04s/it]
995it [18:04,  1.04s/it]
996it [18:05,  1.04s/it]
997it [18:06,  1.04s/it]
998it [18:07,  1.05s/it]
999it [18:08,  1.06s/it]
1000it [18:09,  1.06s/it]
1000it [18:09,  1.09s/it]
Enumerated peptides:
	Number of peptides: 1000000
Conversion errors:
	SMILES: 0
⏰ Completed process in 0:18:09.523685

0it [00:00, ?it/s]
1it [00:10, 10.83s/it]
2it [00:21, 10.72s/it]
3it [00:32, 10.69s/it]
4it [00:42, 10.68s/it]
5it [00:53, 10.70s/it]
6it [01:04, 10.70s/it]
7it [01:14, 10.70s/it]
8it [01:25, 10.74s/it]
9it [01:36, 10.71s/it]
10it [01:47, 10.69s/it]
11it [01:57, 10.66s/it]
12it [02:08, 10.68s/it]
13it [02:18, 10.64s/it]
14it [02:29, 10.63s/it]
15it [02:40, 10.66s/it]
16it [02:50, 10.68s/it]
17it [03:01, 10.69s/it]
18it [03:12, 10.68s/it]
19it [03:23, 10.68s/it]
20it [03:33, 10.70s/it]
21it [03:44, 10.69s/it]
22it [03:55, 10.69s/it]
23it [04:05, 10.66s/it]
24it [04:16, 10.64s/it]
25it [04:26, 10.64s/it]
26it [04:37, 10.65s/it]
27it [04:48, 10.69s/it]
28it [04:59, 10.69s/it]
29it [05:09, 10.70s/it]
30it [05:20, 10.71s/it]
31it [05:31, 10.71s/it]
32it [05:42, 10.76s/it]
33it [05:52, 10.78s/it]
34it [06:03, 10.77s/it]
35it [06:14, 10.80s/it]
36it [06:25, 10.78s/it]
37it [06:36, 10.78s/it]
38it [06:46, 10.77s/it]
39it [06:57, 10.79s/it]
40it [07:08, 10.80s/it]
41it [07:19, 10.83s/it]
42it [07:30, 10.84s/it]
43it [07:41, 10.88s/it]
44it [07:52, 10.92s/it]
45it [08:03, 10.94s/it]
46it [08:14, 10.97s/it]
47it [08:25, 11.02s/it]
48it [08:36, 11.02s/it]
49it [08:47, 10.99s/it]
50it [08:58, 10.96s/it]
51it [09:09, 10.97s/it]
52it [09:20, 10.94s/it]
53it [09:31, 10.99s/it]
54it [09:42, 11.03s/it]
55it [09:53, 10.98s/it]
56it [10:04, 10.98s/it]
57it [10:15, 10.95s/it]
58it [10:25, 10.94s/it]
59it [10:36, 10.93s/it]
60it [10:47, 10.93s/it]
61it [10:58, 10.95s/it]
62it [11:09, 10.96s/it]
63it [11:20, 10.92s/it]
64it [11:31, 10.91s/it]
65it [11:42, 10.92s/it]
66it [11:53, 10.96s/it]
67it [12:04, 10.99s/it]
68it [12:15, 11.02s/it]
69it [12:26, 11.04s/it]
70it [12:37, 11.00s/it]
71it [12:48, 10.94s/it]
72it [12:59, 10.94s/it]
73it [13:10, 10.90s/it]
74it [13:21, 10.90s/it]
75it [13:32, 10.92s/it]
76it [13:42, 10.89s/it]
77it [13:53, 10.88s/it]
78it [14:04, 10.87s/it]
79it [14:15, 10.86s/it]
80it [14:26, 10.85s/it]
81it [14:37, 10.84s/it]
82it [14:47, 10.85s/it]
83it [14:58, 10.83s/it]
84it [15:09, 10.83s/it]
85it [15:20, 10.85s/it]
86it [15:31, 10.86s/it]
87it [15:42, 10.85s/it]
88it [15:53, 10.86s/it]
89it [16:03, 10.84s/it]
90it [16:14, 10.82s/it]
91it [16:25, 10.77s/it]
92it [16:36, 10.76s/it]
93it [16:46, 10.76s/it]
94it [16:57, 10.78s/it]
95it [17:08, 10.79s/it]
96it [17:19, 10.78s/it]
97it [17:29, 10.76s/it]
98it [17:40, 10.74s/it]
99it [17:51, 10.74s/it]
100it [18:02, 10.73s/it]
101it [18:12, 10.78s/it]
102it [18:23, 10.78s/it]
103it [18:34, 10.78s/it]
104it [18:45, 10.78s/it]
105it [18:55, 10.77s/it]
106it [19:06, 10.78s/it]
107it [19:17, 10.75s/it]
108it [19:28, 10.78s/it]
109it [19:39, 10.81s/it]
110it [19:50, 10.81s/it]
111it [20:00, 10.84s/it]
112it [20:11, 10.90s/it]
113it [20:22, 10.91s/it]
114it [20:33, 10.90s/it]
115it [20:44, 10.92s/it]
116it [20:55, 10.93s/it]
117it [21:06, 10.92s/it]
118it [21:17, 10.93s/it]
119it [21:28, 10.94s/it]
120it [21:39, 10.92s/it]
121it [21:50, 11.02s/it]
122it [22:01, 11.03s/it]
123it [22:12, 11.03s/it]
124it [22:23, 10.97s/it]
125it [22:34, 10.96s/it]
126it [22:45, 10.87s/it]
127it [22:55, 10.86s/it]
128it [23:06, 10.86s/it]
129it [23:17, 10.82s/it]
130it [23:28, 10.78s/it]
131it [23:38, 10.77s/it]
132it [23:49, 10.78s/it]
133it [24:00, 10.79s/it]
134it [24:11, 10.84s/it]
135it [24:22, 10.87s/it]
136it [24:33, 10.86s/it]
137it [24:44, 10.82s/it]
138it [24:55, 10.86s/it]
139it [25:05, 10.83s/it]
140it [25:16, 10.77s/it]
141it [25:27, 10.71s/it]
142it [25:37, 10.67s/it]
143it [25:48, 10.64s/it]
144it [25:58, 10.63s/it]
145it [26:09, 10.63s/it]
146it [26:20, 10.66s/it]
147it [26:30, 10.65s/it]
148it [26:41, 10.66s/it]
149it [26:51, 10.62s/it]
150it [27:02, 10.61s/it]
151it [27:13, 10.66s/it]
152it [27:23, 10.66s/it]
153it [27:34, 10.65s/it]
154it [27:45, 10.67s/it]
155it [27:56, 10.69s/it]
156it [28:06, 10.66s/it]
157it [28:17, 10.66s/it]
158it [28:27, 10.61s/it]
159it [28:38, 10.61s/it]
160it [28:48, 10.60s/it]
161it [28:59, 10.65s/it]
162it [29:10, 10.70s/it]
163it [29:21, 10.72s/it]
164it [29:32, 10.74s/it]
165it [29:42, 10.74s/it]
166it [29:53, 10.74s/it]
167it [30:04, 10.75s/it]
168it [30:15, 10.78s/it]
169it [30:26, 10.80s/it]
170it [30:36, 10.80s/it]
171it [30:47, 10.85s/it]
172it [30:58, 10.81s/it]
173it [31:09, 10.79s/it]
174it [31:20, 10.82s/it]
175it [31:31, 10.83s/it]
176it [31:41, 10.79s/it]
177it [31:52, 10.77s/it]
178it [32:03, 10.76s/it]
179it [32:14, 10.79s/it]
180it [32:24, 10.78s/it]
181it [32:35, 10.81s/it]
182it [32:46, 10.83s/it]
183it [32:57, 10.82s/it]
184it [33:08, 10.82s/it]
185it [33:18, 10.79s/it]
186it [33:29, 10.77s/it]
187it [33:40, 10.75s/it]
188it [33:50, 10.68s/it]
189it [34:01, 10.67s/it]
190it [34:12, 10.65s/it]
191it [34:22, 10.64s/it]
192it [34:33, 10.64s/it]
193it [34:43, 10.63s/it]
194it [34:54, 10.63s/it]
195it [35:05, 10.62s/it]
196it [35:15, 10.62s/it]
197it [35:26, 10.67s/it]
198it [35:37, 10.69s/it]
199it [35:48, 10.72s/it]
200it [35:58, 10.76s/it]
201it [36:09, 10.79s/it]
202it [36:20, 10.83s/it]
203it [36:31, 10.86s/it]
204it [36:42, 10.84s/it]
205it [36:53, 10.83s/it]
206it [37:04, 10.83s/it]
207it [37:14, 10.83s/it]
208it [37:25, 10.84s/it]
209it [37:36, 10.89s/it]
210it [37:47, 10.93s/it]
211it [37:58, 10.93s/it]
212it [38:09, 10.93s/it]
213it [38:20, 10.92s/it]
214it [38:31, 10.93s/it]
215it [38:42, 10.91s/it]
216it [38:53, 10.90s/it]
217it [39:04, 10.90s/it]
218it [39:14, 10.84s/it]
219it [39:25, 10.82s/it]
220it [39:36, 10.81s/it]
221it [39:47, 10.83s/it]
222it [39:58, 10.86s/it]
223it [40:09, 10.90s/it]
224it [40:20, 10.92s/it]
225it [40:31, 10.92s/it]
226it [40:42, 10.92s/it]
227it [40:53, 10.96s/it]
228it [41:04, 10.98s/it]
229it [41:15, 10.98s/it]
230it [41:26, 11.00s/it]
231it [41:37, 10.99s/it]
232it [41:48, 10.96s/it]
233it [41:58, 10.93s/it]
234it [42:09, 10.92s/it]
235it [42:20, 10.93s/it]
236it [42:31, 10.98s/it]
237it [42:43, 11.03s/it]
238it [42:54, 11.04s/it]
239it [43:05, 11.05s/it]
240it [43:16, 11.04s/it]
241it [43:27, 11.02s/it]
242it [43:38, 11.04s/it]
243it [43:49, 11.05s/it]
244it [44:00, 11.07s/it]
245it [44:11, 11.07s/it]
246it [44:22, 11.06s/it]
247it [44:33, 11.05s/it]
248it [44:44, 11.06s/it]
249it [44:55, 11.10s/it]
250it [45:06, 11.13s/it]
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253it [45:40, 11.14s/it]
254it [45:51, 11.13s/it]
255it [46:02, 11.11s/it]
256it [46:13, 11.13s/it]
257it [46:24, 11.14s/it]
258it [46:36, 11.15s/it]
259it [46:47, 11.10s/it]
260it [46:58, 11.09s/it]
261it [47:09, 11.05s/it]
262it [47:20, 11.05s/it]
263it [47:31, 11.02s/it]
264it [47:42, 11.04s/it]
265it [47:53, 11.08s/it]
266it [48:04, 11.09s/it]
267it [48:15, 11.07s/it]
268it [48:26, 11.07s/it]
269it [48:37, 11.02s/it]
270it [48:48, 11.01s/it]
271it [48:59, 11.03s/it]
272it [49:10, 11.03s/it]
273it [49:21, 11.05s/it]
274it [49:32, 11.10s/it]
275it [49:44, 11.13s/it]
276it [49:55, 11.16s/it]
277it [50:06, 11.15s/it]
278it [50:17, 11.18s/it]
279it [50:28, 11.17s/it]
280it [50:39, 11.09s/it]
281it [50:50, 11.09s/it]
282it [51:02, 11.12s/it]
283it [51:13, 11.12s/it]
284it [51:24, 11.13s/it]
285it [51:35, 11.16s/it]
286it [51:46, 11.18s/it]
287it [51:57, 11.19s/it]
288it [52:09, 11.17s/it]
289it [52:20, 11.17s/it]
290it [52:31, 11.18s/it]
291it [52:42, 11.19s/it]
292it [52:53, 11.22s/it]
293it [53:05, 11.22s/it]
294it [53:16, 11.15s/it]
295it [53:27, 11.16s/it]
296it [53:38, 11.17s/it]
297it [53:49, 11.17s/it]
298it [54:00, 11.13s/it]
299it [54:11, 11.11s/it]
300it [54:23, 11.16s/it]
301it [54:34, 11.16s/it]
302it [54:45, 11.14s/it]
303it [54:56, 11.18s/it]
304it [55:07, 11.20s/it]
305it [55:19, 11.25s/it]
306it [55:30, 11.29s/it]
307it [55:41, 11.29s/it]
308it [55:53, 11.28s/it]
309it [56:04, 11.22s/it]
310it [56:15, 11.22s/it]
311it [56:26, 11.27s/it]
312it [56:38, 11.27s/it]
313it [56:49, 11.28s/it]
314it [57:00, 11.28s/it]
315it [57:11, 11.28s/it]
316it [57:23, 11.26s/it]
317it [57:34, 11.17s/it]
318it [57:45, 11.15s/it]
319it [57:56, 11.15s/it]
320it [58:07, 11.14s/it]
321it [58:18, 11.17s/it]
322it [58:30, 11.20s/it]
323it [58:41, 11.18s/it]
324it [58:52, 11.15s/it]
325it [59:03, 11.17s/it]
326it [59:14, 11.17s/it]
327it [59:25, 11.14s/it]
328it [59:36, 11.16s/it]
329it [59:48, 11.19s/it]
330it [59:59, 11.19s/it]
331it [1:00:10, 11.20s/it]
332it [1:00:21, 11.19s/it]
333it [1:00:32, 11.19s/it]
334it [1:00:44, 11.20s/it]
335it [1:00:55, 11.22s/it]
336it [1:01:06, 11.23s/it]
337it [1:01:17, 11.23s/it]
338it [1:01:29, 11.20s/it]
339it [1:01:40, 11.19s/it]
340it [1:01:51, 11.18s/it]
341it [1:02:02, 11.15s/it]
342it [1:02:13, 11.15s/it]
343it [1:02:24, 11.13s/it]
344it [1:02:35, 11.16s/it]
345it [1:02:47, 11.14s/it]
346it [1:02:58, 11.12s/it]
347it [1:03:09, 11.15s/it]
348it [1:03:20, 11.15s/it]
349it [1:03:31, 11.19s/it]
350it [1:03:43, 11.32s/it]
351it [1:03:54, 11.28s/it]
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952it [2:56:55, 11.03s/it]
953it [2:57:06, 11.05s/it]
954it [2:57:17, 11.05s/it]
955it [2:57:28, 11.02s/it]
956it [2:57:39, 11.01s/it]
957it [2:57:50, 10.99s/it]
958it [2:58:01, 10.99s/it]
959it [2:58:12, 10.97s/it]
960it [2:58:23, 10.96s/it]
961it [2:58:34, 10.97s/it]
962it [2:58:45, 10.96s/it]
963it [2:58:56, 10.97s/it]
964it [2:59:07, 10.96s/it]
965it [2:59:18, 10.97s/it]
966it [2:59:29, 10.94s/it]
967it [2:59:40, 10.95s/it]
968it [2:59:51, 10.96s/it]
969it [3:00:02, 10.96s/it]
970it [3:00:13, 10.99s/it]
971it [3:00:24, 11.04s/it]
972it [3:00:35, 11.07s/it]
973it [3:00:46, 11.07s/it]
974it [3:00:57, 11.06s/it]
975it [3:01:08, 11.09s/it]
976it [3:01:19, 11.11s/it]
977it [3:01:31, 11.13s/it]
978it [3:01:42, 11.11s/it]
979it [3:01:53, 11.14s/it]
980it [3:02:04, 11.15s/it]
981it [3:02:15, 11.16s/it]
982it [3:02:26, 11.15s/it]
983it [3:02:38, 11.17s/it]
984it [3:02:49, 11.14s/it]
985it [3:03:00, 11.11s/it]
986it [3:03:11, 11.07s/it]
987it [3:03:22, 11.06s/it]
988it [3:03:33, 11.05s/it]
989it [3:03:44, 11.08s/it]
990it [3:03:55, 11.06s/it]
991it [3:04:06, 11.07s/it]
992it [3:04:17, 11.04s/it]
993it [3:04:28, 11.04s/it]
994it [3:04:39, 11.03s/it]
995it [3:04:50, 11.01s/it]
996it [3:05:01, 11.02s/it]
997it [3:05:12, 11.01s/it]
998it [3:05:23, 11.03s/it]
999it [3:05:34, 11.01s/it]
1000it [3:05:45, 11.01s/it]
1000it [3:05:45, 11.15s/it]
Error counts:
	linear_id: 0
	linear_inchikey: 0
	linear_scaffold: 0
	linear_mwt: 0
	linear_clogp: 0
	linear_tpsa: 0
⏰ Completed process in 3:23:56.261789

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703it [1:43:48,  8.69s/it]
704it [1:43:57,  8.76s/it]
705it [1:44:06,  8.84s/it]
706it [1:44:15,  8.92s/it]
707it [1:44:24,  8.98s/it]
708it [1:44:33,  8.96s/it]
709it [1:44:42,  8.96s/it]
710it [1:44:51,  8.98s/it]
711it [1:45:00,  8.97s/it]
712it [1:45:09,  8.97s/it]
713it [1:45:18,  8.93s/it]
714it [1:45:26,  8.85s/it]
715it [1:45:35,  8.79s/it]
716it [1:45:44,  8.72s/it]
717it [1:45:52,  8.67s/it]
718it [1:46:01,  8.66s/it]
719it [1:46:09,  8.67s/it]
720it [1:46:18,  8.67s/it]
721it [1:46:27,  8.63s/it]
722it [1:46:35,  8.61s/it]
723it [1:46:44,  8.58s/it]
724it [1:46:52,  8.56s/it]
725it [1:47:01,  8.56s/it]
726it [1:47:09,  8.56s/it]
727it [1:47:18,  8.58s/it]
728it [1:47:26,  8.53s/it]
729it [1:47:35,  8.51s/it]
730it [1:47:43,  8.50s/it]
731it [1:47:52,  8.49s/it]
732it [1:48:00,  8.50s/it]
733it [1:48:09,  8.49s/it]
734it [1:48:17,  8.49s/it]
735it [1:48:26,  8.50s/it]
736it [1:48:34,  8.50s/it]
737it [1:48:43,  8.49s/it]
738it [1:48:51,  8.48s/it]
739it [1:49:00,  8.48s/it]
740it [1:49:08,  8.47s/it]
741it [1:49:17,  8.46s/it]
742it [1:49:25,  8.45s/it]
743it [1:49:33,  8.45s/it]
744it [1:49:42,  8.44s/it]
745it [1:49:50,  8.44s/it]
746it [1:49:59,  8.44s/it]
747it [1:50:07,  8.43s/it]
748it [1:50:16,  8.43s/it]
749it [1:50:24,  8.45s/it]
750it [1:50:33,  8.46s/it]
751it [1:50:41,  8.45s/it]
752it [1:50:49,  8.42s/it]
753it [1:50:58,  8.44s/it]
754it [1:51:06,  8.42s/it]
755it [1:51:15,  8.39s/it]
756it [1:51:23,  8.39s/it]
757it [1:51:31,  8.38s/it]
758it [1:51:40,  8.36s/it]
759it [1:51:48,  8.36s/it]
760it [1:51:56,  8.37s/it]
761it [1:52:05,  8.39s/it]
762it [1:52:13,  8.37s/it]
763it [1:52:21,  8.36s/it]
764it [1:52:30,  8.39s/it]
765it [1:52:38,  8.39s/it]
766it [1:52:47,  8.40s/it]
767it [1:52:55,  8.41s/it]
768it [1:53:04,  8.42s/it]
769it [1:53:12,  8.42s/it]
770it [1:53:20,  8.41s/it]
771it [1:53:29,  8.42s/it]
772it [1:53:37,  8.40s/it]
773it [1:53:46,  8.40s/it]
774it [1:53:54,  8.39s/it]
775it [1:54:02,  8.37s/it]
776it [1:54:11,  8.37s/it]
777it [1:54:19,  8.36s/it]
778it [1:54:27,  8.35s/it]
779it [1:54:36,  8.35s/it]
780it [1:54:44,  8.34s/it]
781it [1:54:52,  8.34s/it]
782it [1:55:01,  8.35s/it]
783it [1:55:09,  8.38s/it]
784it [1:55:18,  8.40s/it]
785it [1:55:26,  8.41s/it]
786it [1:55:34,  8.43s/it]
787it [1:55:43,  8.44s/it]
788it [1:55:51,  8.45s/it]
789it [1:56:00,  8.47s/it]
790it [1:56:08,  8.46s/it]
791it [1:56:17,  8.47s/it]
792it [1:56:25,  8.48s/it]
793it [1:56:34,  8.45s/it]
794it [1:56:42,  8.46s/it]
795it [1:56:51,  8.47s/it]
796it [1:56:59,  8.47s/it]
797it [1:57:08,  8.48s/it]
798it [1:57:16,  8.48s/it]
799it [1:57:25,  8.48s/it]
800it [1:57:33,  8.50s/it]
801it [1:57:42,  8.51s/it]
802it [1:57:50,  8.49s/it]
803it [1:57:59,  8.50s/it]
804it [1:58:07,  8.50s/it]
805it [1:58:16,  8.48s/it]
806it [1:58:24,  8.49s/it]
807it [1:58:33,  8.49s/it]
808it [1:58:41,  8.50s/it]
809it [1:58:50,  8.52s/it]
810it [1:58:58,  8.58s/it]
811it [1:59:07,  8.56s/it]
812it [1:59:15,  8.54s/it]
813it [1:59:24,  8.53s/it]
814it [1:59:32,  8.51s/it]
815it [1:59:41,  8.53s/it]
816it [1:59:49,  8.51s/it]
817it [1:59:58,  8.54s/it]
818it [2:00:07,  8.53s/it]
819it [2:00:15,  8.52s/it]
820it [2:00:24,  8.51s/it]
821it [2:00:32,  8.50s/it]
822it [2:00:41,  8.53s/it]
823it [2:00:49,  8.53s/it]
824it [2:00:58,  8.53s/it]
825it [2:01:06,  8.52s/it]
826it [2:01:15,  8.54s/it]
827it [2:01:23,  8.56s/it]
828it [2:01:32,  8.59s/it]
829it [2:01:41,  8.59s/it]
830it [2:01:49,  8.59s/it]
831it [2:01:58,  8.59s/it]
832it [2:02:06,  8.57s/it]
833it [2:02:15,  8.56s/it]
834it [2:02:23,  8.57s/it]
835it [2:02:32,  8.58s/it]
836it [2:02:41,  8.57s/it]
837it [2:02:49,  8.57s/it]
838it [2:02:58,  8.58s/it]
839it [2:03:06,  8.60s/it]
840it [2:03:15,  8.56s/it]
841it [2:03:23,  8.54s/it]
842it [2:03:32,  8.54s/it]
843it [2:03:40,  8.53s/it]
844it [2:03:49,  8.54s/it]
845it [2:03:57,  8.52s/it]
846it [2:04:06,  8.51s/it]
847it [2:04:15,  8.53s/it]
848it [2:04:23,  8.57s/it]
849it [2:04:32,  8.52s/it]
850it [2:04:40,  8.51s/it]
851it [2:04:49,  8.49s/it]
852it [2:04:57,  8.51s/it]
853it [2:05:06,  8.49s/it]
854it [2:05:14,  8.51s/it]
855it [2:05:23,  8.51s/it]
856it [2:05:31,  8.52s/it]
857it [2:05:40,  8.53s/it]
858it [2:05:48,  8.56s/it]
859it [2:05:57,  8.58s/it]
860it [2:06:05,  8.57s/it]
861it [2:06:14,  8.56s/it]
862it [2:06:23,  8.57s/it]
863it [2:06:31,  8.56s/it]
864it [2:06:40,  8.57s/it]
865it [2:06:48,  8.58s/it]
866it [2:06:57,  8.58s/it]
867it [2:07:06,  8.58s/it]
868it [2:07:14,  8.58s/it]
869it [2:07:23,  8.59s/it]
870it [2:07:31,  8.56s/it]
871it [2:07:40,  8.55s/it]
872it [2:07:48,  8.58s/it]
873it [2:07:57,  8.57s/it]
874it [2:08:05,  8.56s/it]
875it [2:08:14,  8.57s/it]
876it [2:08:23,  8.56s/it]
877it [2:08:31,  8.58s/it]
878it [2:08:40,  8.58s/it]
879it [2:08:48,  8.57s/it]
880it [2:08:57,  8.57s/it]
881it [2:09:06,  8.58s/it]
882it [2:09:14,  8.57s/it]
883it [2:09:23,  8.57s/it]
884it [2:09:31,  8.57s/it]
885it [2:09:40,  8.57s/it]
886it [2:09:48,  8.59s/it]
887it [2:09:57,  8.59s/it]
888it [2:10:06,  8.60s/it]
889it [2:10:14,  8.59s/it]
890it [2:10:23,  8.60s/it]
891it [2:10:31,  8.63s/it]
892it [2:10:40,  8.64s/it]
893it [2:10:49,  8.64s/it]
894it [2:10:58,  8.66s/it]
895it [2:11:06,  8.66s/it]
896it [2:11:15,  8.65s/it]
897it [2:11:23,  8.65s/it]
898it [2:11:32,  8.66s/it]
899it [2:11:41,  8.65s/it]
900it [2:11:49,  8.64s/it]
901it [2:11:58,  8.62s/it]
902it [2:12:07,  8.62s/it]
903it [2:12:15,  8.63s/it]
904it [2:12:24,  8.63s/it]
905it [2:12:33,  8.63s/it]
906it [2:12:41,  8.63s/it]
907it [2:12:50,  8.64s/it]
908it [2:12:58,  8.63s/it]
909it [2:13:07,  8.65s/it]
910it [2:13:16,  8.65s/it]
911it [2:13:24,  8.64s/it]
912it [2:13:33,  8.63s/it]
913it [2:13:42,  8.64s/it]
914it [2:13:50,  8.66s/it]
915it [2:13:59,  8.67s/it]
916it [2:14:08,  8.70s/it]
917it [2:14:17,  8.74s/it]
918it [2:14:25,  8.78s/it]
919it [2:14:34,  8.78s/it]
920it [2:14:43,  8.78s/it]
921it [2:14:52,  8.80s/it]
922it [2:15:01,  8.81s/it]
923it [2:15:10,  8.83s/it]
924it [2:15:18,  8.82s/it]
925it [2:15:27,  8.82s/it]
926it [2:15:36,  8.80s/it]
927it [2:15:45,  8.82s/it]
928it [2:15:54,  8.83s/it]
929it [2:16:03,  8.84s/it]
930it [2:16:12,  8.89s/it]
931it [2:16:20,  8.88s/it]
932it [2:16:29,  8.86s/it]
933it [2:16:38,  8.83s/it]
934it [2:16:47,  8.84s/it]
935it [2:16:56,  8.84s/it]
936it [2:17:05,  8.87s/it]
937it [2:17:13,  8.86s/it]
938it [2:17:22,  8.87s/it]
939it [2:17:31,  8.87s/it]
940it [2:17:40,  8.85s/it]
941it [2:17:49,  8.81s/it]
942it [2:17:58,  8.79s/it]
943it [2:18:06,  8.78s/it]
944it [2:18:15,  8.78s/it]
945it [2:18:24,  8.83s/it]
946it [2:18:33,  8.87s/it]
947it [2:18:42,  8.86s/it]
948it [2:18:51,  8.87s/it]
949it [2:19:00,  8.92s/it]
950it [2:19:09,  8.99s/it]
951it [2:19:18,  8.97s/it]
952it [2:19:27,  8.96s/it]
953it [2:19:36,  8.98s/it]
954it [2:19:45,  8.99s/it]
955it [2:19:54,  9.00s/it]
956it [2:20:03,  9.00s/it]
957it [2:20:12,  8.98s/it]
958it [2:20:21,  8.95s/it]
959it [2:20:30,  8.98s/it]
960it [2:20:39,  8.96s/it]
961it [2:20:48,  9.01s/it]
962it [2:20:57,  9.01s/it]
963it [2:21:06,  9.01s/it]
964it [2:21:15,  8.99s/it]
965it [2:21:24,  9.00s/it]
966it [2:21:33,  9.02s/it]
967it [2:21:42,  9.05s/it]
968it [2:21:51,  9.08s/it]
969it [2:22:00,  9.13s/it]
970it [2:22:09,  9.16s/it]
971it [2:22:19,  9.23s/it]
972it [2:22:28,  9.31s/it]
973it [2:22:38,  9.31s/it]
974it [2:22:47,  9.27s/it]
975it [2:22:56,  9.24s/it]
976it [2:23:05,  9.27s/it]
977it [2:23:14,  9.21s/it]
978it [2:23:23,  9.16s/it]
979it [2:23:33,  9.14s/it]
980it [2:23:42,  9.12s/it]
981it [2:23:51,  9.07s/it]
982it [2:24:00,  9.09s/it]
983it [2:24:09,  9.07s/it]
984it [2:24:18,  9.08s/it]
985it [2:24:27,  9.07s/it]
986it [2:24:36,  9.09s/it]
987it [2:24:45,  9.11s/it]
988it [2:24:54,  9.11s/it]
989it [2:25:03,  9.08s/it]
990it [2:25:12,  9.04s/it]
991it [2:25:21,  9.01s/it]
992it [2:25:30,  8.99s/it]
993it [2:25:39,  8.99s/it]
994it [2:25:48,  8.99s/it]
995it [2:25:57,  8.99s/it]
996it [2:26:06,  8.98s/it]
997it [2:26:15,  9.00s/it]
998it [2:26:24,  9.00s/it]
999it [2:26:33,  9.02s/it]
1000it [2:26:42,  9.03s/it]
1000it [2:26:42,  8.80s/it]
Error counts:
	cysteine_to_N_cyclization: 0
⏰ Completed process in 5:50:39.717266

0it [00:00, ?it/s]
1it [00:11, 11.08s/it]
2it [00:21, 10.95s/it]
3it [00:32, 10.89s/it]
4it [00:43, 10.89s/it]
5it [00:54, 10.94s/it]
6it [01:05, 10.92s/it]
7it [01:16, 10.92s/it]
8it [01:27, 10.94s/it]
9it [01:38, 10.92s/it]
10it [01:49, 10.92s/it]
11it [02:00, 10.95s/it]
12it [02:11, 11.02s/it]
13it [02:22, 11.03s/it]
14it [02:33, 11.00s/it]
15it [02:44, 10.96s/it]
16it [02:55, 10.99s/it]
17it [03:06, 11.02s/it]
18it [03:17, 11.03s/it]
19it [03:28, 11.05s/it]
20it [03:39, 11.05s/it]
21it [03:50, 11.04s/it]
22it [04:01, 11.06s/it]
23it [04:12, 11.04s/it]
24it [04:23, 11.05s/it]
25it [04:34, 11.07s/it]
26it [04:46, 11.08s/it]
27it [04:57, 11.10s/it]
28it [05:08, 11.12s/it]
29it [05:19, 11.18s/it]
30it [05:30, 11.16s/it]
31it [05:42, 11.18s/it]
32it [05:53, 11.25s/it]
33it [06:04, 11.25s/it]
34it [06:15, 11.26s/it]
35it [06:27, 11.30s/it]
36it [06:38, 11.30s/it]
37it [06:49, 11.28s/it]
38it [07:01, 11.26s/it]
39it [07:12, 11.19s/it]
40it [07:23, 11.15s/it]
41it [07:34, 11.16s/it]
42it [07:45, 11.18s/it]
43it [07:56, 11.19s/it]
44it [08:08, 11.20s/it]
45it [08:19, 11.22s/it]
46it [08:30, 11.20s/it]
47it [08:41, 11.22s/it]
48it [08:52, 11.20s/it]
49it [09:04, 11.19s/it]
50it [09:15, 11.20s/it]
51it [09:26, 11.23s/it]
52it [09:37, 11.20s/it]
53it [09:49, 11.25s/it]
54it [10:00, 11.21s/it]
55it [10:11, 11.19s/it]
56it [10:22, 11.17s/it]
57it [10:33, 11.14s/it]
58it [10:44, 11.12s/it]
59it [10:55, 11.11s/it]
60it [11:06, 11.06s/it]
61it [11:17, 11.05s/it]
62it [11:28, 11.10s/it]
63it [11:40, 11.14s/it]
64it [11:51, 11.22s/it]
65it [12:02, 11.28s/it]
66it [12:14, 11.31s/it]
67it [12:25, 11.29s/it]
68it [12:36, 11.31s/it]
69it [12:48, 11.31s/it]
70it [12:59, 11.30s/it]
71it [13:10, 11.29s/it]
72it [13:21, 11.26s/it]
73it [13:33, 11.21s/it]
74it [13:44, 11.17s/it]
75it [13:55, 11.18s/it]
76it [14:06, 11.16s/it]
77it [14:17, 11.16s/it]
78it [14:28, 11.20s/it]
79it [14:40, 11.19s/it]
80it [14:51, 11.18s/it]
81it [15:02, 11.19s/it]
82it [15:13, 11.21s/it]
83it [15:24, 11.17s/it]
84it [15:35, 11.17s/it]
85it [15:47, 11.14s/it]
86it [15:58, 11.10s/it]
87it [16:09, 11.09s/it]
88it [16:20, 11.09s/it]
89it [16:31, 11.07s/it]
90it [16:42, 11.07s/it]
91it [16:53, 11.08s/it]
92it [17:04, 11.15s/it]
93it [17:16, 11.22s/it]
94it [17:27, 11.26s/it]
95it [17:38, 11.26s/it]
96it [17:50, 11.29s/it]
97it [18:01, 11.28s/it]
98it [18:12, 11.28s/it]
99it [18:23, 11.30s/it]
100it [18:35, 11.31s/it]
101it [18:46, 11.31s/it]
102it [18:57, 11.30s/it]
103it [19:09, 11.29s/it]
104it [19:20, 11.26s/it]
105it [19:31, 11.27s/it]
106it [19:43, 11.44s/it]
107it [19:55, 11.61s/it]
108it [20:07, 11.82s/it]
109it [20:19, 11.91s/it]
110it [20:32, 11.99s/it]
111it [20:44, 12.09s/it]
112it [20:56, 12.13s/it]
113it [21:08, 12.21s/it]
114it [21:21, 12.25s/it]
115it [21:33, 12.30s/it]
116it [21:45, 12.27s/it]
117it [21:58, 12.28s/it]
118it [22:10, 12.25s/it]
119it [22:22, 12.25s/it]
120it [22:34, 12.21s/it]
121it [22:47, 12.25s/it]
122it [22:59, 12.23s/it]
123it [23:11, 12.22s/it]
124it [23:23, 12.23s/it]
125it [23:36, 12.27s/it]
126it [23:48, 12.28s/it]
127it [24:00, 12.33s/it]
128it [24:13, 12.37s/it]
129it [24:25, 12.35s/it]
130it [24:37, 12.30s/it]
131it [24:49, 12.26s/it]
132it [25:02, 12.25s/it]
133it [25:14, 12.26s/it]
134it [25:26, 12.27s/it]
135it [25:39, 12.28s/it]
136it [25:51, 12.26s/it]
137it [26:03, 12.25s/it]
138it [26:15, 12.22s/it]
139it [26:27, 12.18s/it]
140it [26:39, 12.18s/it]
141it [26:52, 12.24s/it]
142it [27:04, 12.30s/it]
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616it [1:52:53, 10.30s/it]
617it [1:53:04, 10.30s/it]
618it [1:53:14, 10.32s/it]
619it [1:53:24, 10.32s/it]
620it [1:53:35, 10.33s/it]
621it [1:53:45, 10.33s/it]
622it [1:53:55, 10.35s/it]
623it [1:54:06, 10.33s/it]
624it [1:54:16, 10.33s/it]
625it [1:54:26, 10.34s/it]
626it [1:54:37, 10.33s/it]
627it [1:54:47, 10.34s/it]
628it [1:54:58, 10.35s/it]
629it [1:55:08, 10.35s/it]
630it [1:55:18, 10.35s/it]
631it [1:55:28, 10.32s/it]
632it [1:55:39, 10.34s/it]
633it [1:55:49, 10.34s/it]
634it [1:55:59, 10.32s/it]
635it [1:56:10, 10.32s/it]
636it [1:56:20, 10.30s/it]
637it [1:56:30, 10.30s/it]
638it [1:56:41, 10.30s/it]
639it [1:56:51, 10.28s/it]
640it [1:57:01, 10.28s/it]
641it [1:57:11, 10.27s/it]
642it [1:57:22, 10.28s/it]
643it [1:57:32, 10.27s/it]
644it [1:57:42, 10.30s/it]
645it [1:57:53, 10.29s/it]
646it [1:58:03, 10.32s/it]
647it [1:58:13, 10.33s/it]
648it [1:58:24, 10.34s/it]
649it [1:58:34, 10.34s/it]
650it [1:58:44, 10.34s/it]
651it [1:58:55, 10.33s/it]
652it [1:59:05, 10.32s/it]
653it [1:59:15, 10.32s/it]
654it [1:59:26, 10.34s/it]
655it [1:59:36, 10.34s/it]
656it [1:59:46, 10.34s/it]
657it [1:59:57, 10.35s/it]
658it [2:00:07, 10.35s/it]
659it [2:00:18, 10.37s/it]
660it [2:00:28, 10.38s/it]
661it [2:00:38, 10.40s/it]
662it [2:00:49, 10.40s/it]
663it [2:00:59, 10.41s/it]
664it [2:01:10, 10.40s/it]
665it [2:01:20, 10.38s/it]
666it [2:01:30, 10.35s/it]
667it [2:01:41, 10.35s/it]
668it [2:01:51, 10.35s/it]
669it [2:02:01, 10.35s/it]
670it [2:02:12, 10.35s/it]
671it [2:02:22, 10.34s/it]
672it [2:02:32, 10.36s/it]
673it [2:02:43, 10.34s/it]
674it [2:02:53, 10.35s/it]
675it [2:03:03, 10.36s/it]
676it [2:03:14, 10.35s/it]
677it [2:03:24, 10.35s/it]
678it [2:03:34, 10.34s/it]
679it [2:03:45, 10.34s/it]
680it [2:03:55, 10.33s/it]
681it [2:04:05, 10.31s/it]
682it [2:04:16, 10.32s/it]
683it [2:04:26, 10.32s/it]
684it [2:04:36, 10.29s/it]
685it [2:04:46, 10.27s/it]
686it [2:04:57, 10.28s/it]
687it [2:05:07, 10.29s/it]
688it [2:05:17, 10.26s/it]
689it [2:05:27, 10.26s/it]
690it [2:05:38, 10.29s/it]
691it [2:05:48, 10.28s/it]
692it [2:05:58, 10.28s/it]
693it [2:06:09, 10.27s/it]
694it [2:06:19, 10.27s/it]
695it [2:06:29, 10.28s/it]
696it [2:06:39, 10.29s/it]
697it [2:06:50, 10.28s/it]
698it [2:07:00, 10.27s/it]
699it [2:07:10, 10.26s/it]
700it [2:07:20, 10.28s/it]
701it [2:07:31, 10.29s/it]
702it [2:07:41, 10.29s/it]
703it [2:07:51, 10.30s/it]
704it [2:08:02, 10.28s/it]
705it [2:08:12, 10.30s/it]
706it [2:08:22, 10.30s/it]
707it [2:08:33, 10.30s/it]
708it [2:08:43, 10.31s/it]
709it [2:08:53, 10.31s/it]
710it [2:09:04, 10.32s/it]
711it [2:09:14, 10.32s/it]
712it [2:09:24, 10.33s/it]
713it [2:09:35, 10.32s/it]
714it [2:09:45, 10.31s/it]
715it [2:09:55, 10.30s/it]
716it [2:10:05, 10.31s/it]
717it [2:10:16, 10.31s/it]
718it [2:10:26, 10.33s/it]
719it [2:10:36, 10.34s/it]
720it [2:10:47, 10.31s/it]
721it [2:10:57, 10.30s/it]
722it [2:11:07, 10.29s/it]
723it [2:11:18, 10.30s/it]
724it [2:11:28, 10.31s/it]
725it [2:11:38, 10.32s/it]
726it [2:11:49, 10.39s/it]
727it [2:11:59, 10.37s/it]
728it [2:12:09, 10.34s/it]
729it [2:12:20, 10.34s/it]
730it [2:12:30, 10.35s/it]
731it [2:12:41, 10.39s/it]
732it [2:12:51, 10.39s/it]
733it [2:13:01, 10.37s/it]
734it [2:13:12, 10.37s/it]
735it [2:13:22, 10.37s/it]
736it [2:13:32, 10.36s/it]
737it [2:13:43, 10.35s/it]
738it [2:13:53, 10.35s/it]
739it [2:14:03, 10.35s/it]
740it [2:14:14, 10.33s/it]
741it [2:14:24, 10.34s/it]
742it [2:14:34, 10.31s/it]
743it [2:14:45, 10.30s/it]
744it [2:14:55, 10.29s/it]
745it [2:15:05, 10.29s/it]
746it [2:15:15, 10.28s/it]
747it [2:15:26, 10.27s/it]
748it [2:15:36, 10.27s/it]
749it [2:15:46, 10.29s/it]
750it [2:15:57, 10.30s/it]
751it [2:16:07, 10.28s/it]
752it [2:16:17, 10.26s/it]
753it [2:16:27, 10.26s/it]
754it [2:16:38, 10.27s/it]
755it [2:16:48, 10.27s/it]
756it [2:16:58, 10.26s/it]
757it [2:17:08, 10.26s/it]
758it [2:17:19, 10.27s/it]
759it [2:17:29, 10.27s/it]
760it [2:17:39, 10.29s/it]
761it [2:17:50, 10.29s/it]
762it [2:18:00, 10.27s/it]
763it [2:18:10, 10.25s/it]
764it [2:18:20, 10.28s/it]
765it [2:18:31, 10.27s/it]
766it [2:18:41, 10.27s/it]
767it [2:18:51, 10.27s/it]
768it [2:19:01, 10.28s/it]
769it [2:19:12, 10.27s/it]
770it [2:19:22, 10.28s/it]
771it [2:19:32, 10.27s/it]
772it [2:19:42, 10.25s/it]
773it [2:19:53, 10.25s/it]
774it [2:20:03, 10.25s/it]
775it [2:20:13, 10.25s/it]
776it [2:20:23, 10.26s/it]
777it [2:20:34, 10.28s/it]
778it [2:20:44, 10.25s/it]
779it [2:20:54, 10.25s/it]
780it [2:21:04, 10.22s/it]
781it [2:21:15, 10.22s/it]
782it [2:21:25, 10.22s/it]
783it [2:21:35, 10.23s/it]
784it [2:21:45, 10.22s/it]
785it [2:21:56, 10.23s/it]
786it [2:22:06, 10.24s/it]
787it [2:22:16, 10.23s/it]
788it [2:22:26, 10.23s/it]
789it [2:22:37, 10.25s/it]
790it [2:22:47, 10.26s/it]
791it [2:22:57, 10.25s/it]
792it [2:23:07, 10.25s/it]
793it [2:23:18, 10.25s/it]
794it [2:23:28, 10.27s/it]
795it [2:23:38, 10.29s/it]
796it [2:23:48, 10.28s/it]
797it [2:23:59, 10.28s/it]
798it [2:24:09, 10.28s/it]
799it [2:24:19, 10.28s/it]
800it [2:24:30, 10.29s/it]
801it [2:24:40, 10.29s/it]
802it [2:24:50, 10.29s/it]
803it [2:25:00, 10.30s/it]
804it [2:25:11, 10.31s/it]
805it [2:25:21, 10.31s/it]
806it [2:25:31, 10.30s/it]
807it [2:25:42, 10.29s/it]
808it [2:25:52, 10.32s/it]
809it [2:26:02, 10.32s/it]
810it [2:26:13, 10.34s/it]
811it [2:26:23, 10.33s/it]
812it [2:26:33, 10.33s/it]
813it [2:26:44, 10.32s/it]
814it [2:26:54, 10.32s/it]
815it [2:27:04, 10.33s/it]
816it [2:27:15, 10.29s/it]
817it [2:27:25, 10.29s/it]
818it [2:27:35, 10.29s/it]
819it [2:27:45, 10.29s/it]
820it [2:27:56, 10.28s/it]
821it [2:28:06, 10.26s/it]
822it [2:28:16, 10.26s/it]
823it [2:28:26, 10.27s/it]
824it [2:28:37, 10.28s/it]
825it [2:28:47, 10.26s/it]
826it [2:28:57, 10.28s/it]
827it [2:29:08, 10.28s/it]
828it [2:29:18, 10.28s/it]
829it [2:29:28, 10.27s/it]
830it [2:29:38, 10.28s/it]
831it [2:29:49, 10.29s/it]
832it [2:29:59, 10.28s/it]
833it [2:30:09, 10.28s/it]
834it [2:30:20, 10.28s/it]
835it [2:30:30, 10.30s/it]
836it [2:30:40, 10.32s/it]
837it [2:30:51, 10.32s/it]
838it [2:31:01, 10.32s/it]
839it [2:31:11, 10.31s/it]
840it [2:31:21, 10.30s/it]
841it [2:31:32, 10.30s/it]
842it [2:31:42, 10.31s/it]
843it [2:31:52, 10.30s/it]
844it [2:32:03, 10.30s/it]
845it [2:32:13, 10.30s/it]
846it [2:32:23, 10.28s/it]
847it [2:32:34, 10.31s/it]
848it [2:32:44, 10.31s/it]
849it [2:32:54, 10.30s/it]
850it [2:33:04, 10.27s/it]
851it [2:33:15, 10.26s/it]
852it [2:33:25, 10.27s/it]
853it [2:33:35, 10.26s/it]
854it [2:33:45, 10.28s/it]
855it [2:33:56, 10.27s/it]
856it [2:34:06, 10.28s/it]
857it [2:34:16, 10.28s/it]
858it [2:34:27, 10.28s/it]
859it [2:34:37, 10.29s/it]
860it [2:34:47, 10.31s/it]
861it [2:34:58, 10.30s/it]
862it [2:35:08, 10.31s/it]
863it [2:35:18, 10.29s/it]
864it [2:35:28, 10.28s/it]
865it [2:35:39, 10.28s/it]
866it [2:35:49, 10.28s/it]
867it [2:35:59, 10.28s/it]
868it [2:36:09, 10.26s/it]
869it [2:36:20, 10.27s/it]
870it [2:36:30, 10.26s/it]
871it [2:36:40, 10.26s/it]
872it [2:36:51, 10.29s/it]
873it [2:37:01, 10.27s/it]
874it [2:37:11, 10.28s/it]
875it [2:37:21, 10.31s/it]
876it [2:37:32, 10.29s/it]
877it [2:37:42, 10.32s/it]
878it [2:37:52, 10.33s/it]
879it [2:38:03, 10.31s/it]
880it [2:38:13, 10.33s/it]
881it [2:38:23, 10.33s/it]
882it [2:38:34, 10.32s/it]
883it [2:38:44, 10.33s/it]
884it [2:38:54, 10.35s/it]
885it [2:39:05, 10.37s/it]
886it [2:39:15, 10.38s/it]
887it [2:39:26, 10.36s/it]
888it [2:39:36, 10.36s/it]
889it [2:39:46, 10.36s/it]
890it [2:39:57, 10.37s/it]
891it [2:40:07, 10.38s/it]
892it [2:40:17, 10.38s/it]
893it [2:40:28, 10.36s/it]
894it [2:40:38, 10.37s/it]
895it [2:40:49, 10.36s/it]
896it [2:40:59, 10.35s/it]
897it [2:41:09, 10.34s/it]
898it [2:41:20, 10.36s/it]
899it [2:41:30, 10.36s/it]
900it [2:41:40, 10.35s/it]
901it [2:41:51, 10.37s/it]
902it [2:42:01, 10.36s/it]
903it [2:42:11, 10.37s/it]
904it [2:42:22, 10.37s/it]
905it [2:42:32, 10.36s/it]
906it [2:42:42, 10.35s/it]
907it [2:42:53, 10.35s/it]
908it [2:43:03, 10.38s/it]
909it [2:43:14, 10.38s/it]
910it [2:43:24, 10.41s/it]
911it [2:43:35, 10.41s/it]
912it [2:43:45, 10.41s/it]
913it [2:43:55, 10.40s/it]
914it [2:44:06, 10.39s/it]
915it [2:44:16, 10.41s/it]
916it [2:44:27, 10.42s/it]
917it [2:44:37, 10.41s/it]
918it [2:44:47, 10.39s/it]
919it [2:44:58, 10.39s/it]
920it [2:45:08, 10.38s/it]
921it [2:45:18, 10.39s/it]
922it [2:45:29, 10.41s/it]
923it [2:45:39, 10.40s/it]
924it [2:45:50, 10.39s/it]
925it [2:46:00, 10.37s/it]
926it [2:46:10, 10.36s/it]
927it [2:46:21, 10.35s/it]
928it [2:46:31, 10.36s/it]
929it [2:46:41, 10.35s/it]
930it [2:46:52, 10.35s/it]
931it [2:47:02, 10.35s/it]
932it [2:47:12, 10.36s/it]
933it [2:47:23, 10.36s/it]
934it [2:47:33, 10.37s/it]
935it [2:47:44, 10.38s/it]
936it [2:47:54, 10.36s/it]
937it [2:48:04, 10.38s/it]
938it [2:48:15, 10.39s/it]
939it [2:48:25, 10.40s/it]
940it [2:48:36, 10.40s/it]
941it [2:48:46, 10.39s/it]
942it [2:48:56, 10.39s/it]
943it [2:49:07, 10.39s/it]
944it [2:49:17, 10.40s/it]
945it [2:49:28, 10.41s/it]
946it [2:49:38, 10.40s/it]
947it [2:49:48, 10.38s/it]
948it [2:49:59, 10.38s/it]
949it [2:50:09, 10.40s/it]
950it [2:50:20, 10.42s/it]
951it [2:50:30, 10.41s/it]
952it [2:50:40, 10.38s/it]
953it [2:50:51, 10.42s/it]
954it [2:51:01, 10.42s/it]
955it [2:51:12, 10.44s/it]
956it [2:51:22, 10.41s/it]
957it [2:51:32, 10.38s/it]
958it [2:51:43, 10.39s/it]
959it [2:51:53, 10.39s/it]
960it [2:52:03, 10.38s/it]
961it [2:52:14, 10.36s/it]
962it [2:52:24, 10.34s/it]
963it [2:52:35, 10.36s/it]
964it [2:52:45, 10.36s/it]
965it [2:52:55, 10.35s/it]
966it [2:53:05, 10.32s/it]
967it [2:53:16, 10.32s/it]
968it [2:53:26, 10.31s/it]
969it [2:53:36, 10.30s/it]
970it [2:53:47, 10.29s/it]
971it [2:53:57, 10.30s/it]
972it [2:54:07, 10.31s/it]
973it [2:54:18, 10.31s/it]
974it [2:54:28, 10.30s/it]
975it [2:54:38, 10.30s/it]
976it [2:54:48, 10.31s/it]
977it [2:54:59, 10.31s/it]
978it [2:55:09, 10.30s/it]
979it [2:55:19, 10.31s/it]
980it [2:55:30, 10.32s/it]
981it [2:55:40, 10.31s/it]
982it [2:55:50, 10.30s/it]
983it [2:56:01, 10.31s/it]
984it [2:56:11, 10.31s/it]
985it [2:56:21, 10.31s/it]
986it [2:56:31, 10.29s/it]
987it [2:56:42, 10.29s/it]
988it [2:56:52, 10.28s/it]
989it [2:57:02, 10.31s/it]
990it [2:57:13, 10.30s/it]
991it [2:57:23, 10.31s/it]
992it [2:57:33, 10.28s/it]
993it [2:57:44, 10.30s/it]
994it [2:57:54, 10.30s/it]
995it [2:58:04, 10.29s/it]
996it [2:58:14, 10.29s/it]
997it [2:58:25, 10.27s/it]
998it [2:58:35, 10.30s/it]
999it [2:58:45, 10.29s/it]
1000it [2:58:56, 10.30s/it]
1000it [2:58:56, 10.74s/it]
Error counts:
	cyclic_id: 0
	cyclic_inchikey: 0
	cyclic_scaffold: 0
	cyclic_mwt: 0
	cyclic_clogp: 0
	cyclic_tpsa: 0
⏰ Completed process in 8:49:37.068270

0it [00:00, ?it/s]
1it [00:00,  8.04it/s]
2it [00:00,  8.81it/s]
3it [00:00,  9.11it/s]
4it [00:00,  9.22it/s]
5it [00:00,  9.31it/s]
6it [00:00,  9.38it/s]
7it [00:00,  9.45it/s]
8it [00:00,  9.47it/s]
9it [00:00,  9.44it/s]
10it [00:01,  9.45it/s]
11it [00:01,  9.47it/s]
12it [00:01,  9.48it/s]
13it [00:01,  9.49it/s]
14it [00:01,  9.50it/s]
15it [00:01,  9.52it/s]
16it [00:01,  9.52it/s]
17it [00:01,  9.47it/s]
18it [00:01,  9.47it/s]
19it [00:02,  9.49it/s]
20it [00:02,  9.52it/s]
21it [00:02,  9.51it/s]
22it [00:02,  9.52it/s]
23it [00:02,  9.53it/s]
24it [00:02,  9.55it/s]
25it [00:02,  9.54it/s]
26it [00:02,  9.54it/s]
27it [00:02,  9.53it/s]
28it [00:02,  9.50it/s]
29it [00:03,  9.51it/s]
30it [00:03,  9.54it/s]
31it [00:03,  9.54it/s]
32it [00:03,  9.49it/s]
33it [00:03,  9.53it/s]
34it [00:03,  9.60it/s]
35it [00:03,  9.58it/s]
36it [00:03,  9.57it/s]
37it [00:03,  9.56it/s]
38it [00:04,  9.57it/s]
39it [00:04,  9.58it/s]
40it [00:04,  9.61it/s]
41it [00:04,  9.58it/s]
42it [00:04,  9.58it/s]
43it [00:04,  9.59it/s]
44it [00:04,  9.57it/s]
45it [00:04,  9.56it/s]
46it [00:04,  9.57it/s]
47it [00:04,  9.55it/s]
48it [00:05,  9.51it/s]
49it [00:05,  9.53it/s]
50it [00:05,  9.54it/s]
51it [00:05,  9.55it/s]
52it [00:05,  9.56it/s]
53it [00:05,  9.54it/s]
54it [00:05,  9.52it/s]
55it [00:05,  9.50it/s]
56it [00:05,  9.48it/s]
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Split counts:
	train: 674000
	test: 164000
	validation: 162000
⏰ Completed process in 8:51:23.273285
++ date
+ echo 'Sat  2 Nov 00:45:14 GMT 2024 :: 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-2000000-3000000.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-2000000-3000000.csv.gz
+ split_dir=20241101_peptides_6-12x100M/train
++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-2000000-3000000.csv.gz .csv.gz
+ split_file=20241101_peptides_6-12x100M/train/peptides_length-10_n-100000000_slice-2000000-3000000.csv.gz
+ mkdir -p 20241101_peptides_6-12x100M/train
++ date
+ echo 'Sat  2 Nov 00:45:14 GMT 2024 :: Saving train...'
Sat  2 Nov 00:45:14 GMT 2024 :: Saving train...
+ zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-2000000-3000000.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 00:46:12 GMT 2024 :: 20241101_peptides_6-12x100M/train/peptides_length-10_n-100000000_slice-2000000-3000000.csv.gz'
+ for split in train test validation
++ dirname 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-2000000-3000000.csv.gz
+ split_dir=20241101_peptides_6-12x100M/test
++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-2000000-3000000.csv.gz .csv.gz
+ split_file=20241101_peptides_6-12x100M/test/peptides_length-10_n-100000000_slice-2000000-3000000.csv.gz
+ mkdir -p 20241101_peptides_6-12x100M/test
++ date
+ echo 'Sat  2 Nov 00:46:12 GMT 2024 :: Saving test...'
Sat  2 Nov 00:46:12 GMT 2024 :: Saving test...
+ zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-2000000-3000000.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 00:46:37 GMT 2024 :: 20241101_peptides_6-12x100M/test/peptides_length-10_n-100000000_slice-2000000-3000000.csv.gz'
+ for split in train test validation
++ dirname 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-2000000-3000000.csv.gz
+ split_dir=20241101_peptides_6-12x100M/validation
++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-2000000-3000000.csv.gz .csv.gz
+ split_file=20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-2000000-3000000.csv.gz
+ mkdir -p 20241101_peptides_6-12x100M/validation
++ date
+ echo 'Sat  2 Nov 00:46:37 GMT 2024 :: Saving validation...'
Sat  2 Nov 00:46:37 GMT 2024 :: Saving validation...
+ zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-2000000-3000000.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 00:47:03 GMT 2024 :: 20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-2000000-3000000.csv.gz'
+ '[' -e 20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-2000000-3000000.csv.gz.success ']'
+ rm 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-2000000-3000000.csv.gz 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-2000000-3000000.csv.gz.success
+ set +x
Sat  2 Nov 00:47:03 GMT 2024 > Peptide generation complete