20241101_peptides_6-12x100M_l-10_n-100000000_slice-18000000-19000000.log

Fri  1 Nov 15:57:10 GMT 2024 > Generating peptides on cn063
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 15:57:10 GMT 2024 > Running /camp/apps/eb/software/Anaconda3/2023.03/bin/python : Python 3.10.10
Fri  1 Nov 15:57:10 GMT 2024 > Using Conda from .
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Fri  1 Nov 15:57:10 GMT 2024 > Seed = 1; length = 10; max. number = 100000000; slice = 18000000 to 19000000; output dir. = 20241101_peptides_6-12x100M
Fri  1 Nov 15:57:10 GMT 2024 > There are 10240000000000 peptides of length 10; generating 100000000 (0.000976563 %)
Fri  1 Nov 15:57:10 GMT 2024 > Saving a slice to 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-18000000-19000000.csv.gz...
+ schemist enumerate --seed 1 --max-length 10 --prefix GY --suffix CGSGSGS --number 9.76563e-06 --slice 18000000 19000000
+ schemist convert --column cysteine_to_N_cyclization --to id inchikey scaffold mwt clogp tpsa --prefix cyclic_ --options prefix=SCB-
+ tr '	' ,
+ schemist react --column SMILES --reaction cysteine_to_N_cyclization
+ schemist split --type random --train 0.7 --test 0.15 --column cysteine_to_N_cyclization --seed 1
+ gzip --best
+ schemist convert --column SMILES --to id inchikey scaffold mwt clogp tpsa --prefix linear_ --options prefix=SCB-
🚀 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: ['18000000', '19000000']
	seed: 1
	prefix: GY
	suffix: CGSGSGS
	type: aa
	d_aa_only: False
	include_d_aa: False
	func: <function _enum at 0x7f6077613880>
Sampling 100000051 (0.000976562998046875 %) peptides from length 10 to 10 (10240000000000 combinations). Probability of collision if drawing randomly is 1.0, with 976.9924758407456 (0.000976991977574837 %) collisions on average.
> Executing naive sampling. 
🚀 Converting between string representations with the following parameters:
	subcommand: convert
	output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'>
	format: None
	input: <_io.TextIOWrapper name='<stdin>' mode='r' encoding='utf-8'>
	representation: SMILES
	column: SMILES
	prefix: linear_
	to: ['id', 'inchikey', 'scaffold', 'mwt', 'clogp', 'tpsa']
	options: ['prefix=SCB-']
	func: <function _convert at 0x7fb7e0fd7240>

0it [00:00, ?it/s]🚀 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 0x7fd670fcb9c0>
🚀 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 0x7f00fd98f240>
🚀 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 0x7f9e5a9ff4c0>

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865it [14:16,  1.00s/it]
866it [14:17,  1.01s/it]
867it [14:18,  1.00s/it]
868it [14:19,  1.01s/it]
869it [14:20,  1.01s/it]
870it [14:21,  1.01s/it]
871it [14:22,  1.01s/it]
872it [14:23,  1.01s/it]
873it [14:24,  1.01s/it]
874it [14:25,  1.02s/it]
875it [14:26,  1.02s/it]
876it [14:27,  1.02s/it]
877it [14:28,  1.02s/it]
878it [14:29,  1.03s/it]
879it [14:30,  1.03s/it]
880it [14:31,  1.02s/it]
881it [14:32,  1.02s/it]
882it [14:33,  1.02s/it]
883it [14:34,  1.02s/it]
884it [14:35,  1.00it/s]
885it [14:36,  1.00s/it]
886it [14:37,  1.01s/it]
887it [14:38,  1.01s/it]
888it [14:39,  1.02s/it]
889it [14:40,  1.02s/it]
890it [14:41,  1.02s/it]
891it [14:42,  1.02s/it]
892it [14:43,  1.01s/it]
893it [14:44,  1.00it/s]
894it [14:45,  1.01it/s]
895it [14:46,  1.00it/s]
896it [14:47,  1.01s/it]
897it [14:48,  1.01s/it]
898it [14:49,  1.01s/it]
899it [14:50,  1.01s/it]
900it [14:51,  1.01s/it]
901it [14:52,  1.00s/it]
902it [14:53,  1.00s/it]
903it [14:54,  1.00it/s]
904it [14:55,  1.00it/s]
905it [14:56,  1.00s/it]
906it [14:57,  1.00s/it]
907it [14:58,  1.02s/it]
908it [14:59,  1.01s/it]
909it [15:00,  1.02s/it]
910it [15:01,  1.01s/it]
911it [15:02,  1.01s/it]
912it [15:03,  1.00it/s]
913it [15:04,  1.01it/s]
914it [15:05,  1.03it/s]
915it [15:06,  1.02it/s]
916it [15:07,  1.02it/s]
917it [15:08,  1.02it/s]
918it [15:09,  1.01it/s]
919it [15:10,  1.00it/s]
920it [15:11,  1.01it/s]
921it [15:12,  1.00s/it]
922it [15:13,  1.00s/it]
923it [15:14,  1.00s/it]
924it [15:15,  1.01s/it]
925it [15:16,  1.00s/it]
926it [15:17,  1.01s/it]
927it [15:18,  1.00s/it]
928it [15:19,  1.00it/s]
929it [15:20,  1.01s/it]
930it [15:21,  1.00it/s]
931it [15:22,  1.00s/it]
932it [15:23,  1.01s/it]
933it [15:24,  1.01s/it]
934it [15:25,  1.01s/it]
935it [15:26,  1.00s/it]
936it [15:27,  1.00s/it]
937it [15:28,  1.00s/it]
938it [15:29,  1.01s/it]
939it [15:30,  1.01s/it]
940it [15:31,  1.01s/it]
941it [15:32,  1.03s/it]
942it [15:33,  1.03s/it]
943it [15:34,  1.03s/it]
944it [15:36,  1.04s/it]
945it [15:37,  1.03s/it]
946it [15:38,  1.02s/it]
947it [15:39,  1.02s/it]
948it [15:40,  1.03s/it]
949it [15:41,  1.04s/it]
950it [15:42,  1.04s/it]
951it [15:43,  1.04s/it]
952it [15:44,  1.04s/it]
953it [15:45,  1.04s/it]
954it [15:46,  1.03s/it]
955it [15:47,  1.02s/it]
956it [15:48,  1.01s/it]
957it [15:49,  1.00it/s]
958it [15:50,  1.00it/s]
959it [15:51,  1.00it/s]
960it [15:52,  1.00it/s]
961it [15:53,  1.00it/s]
962it [15:54,  1.00it/s]
963it [15:55,  1.01it/s]
964it [15:56,  1.01it/s]
965it [15:57,  1.01it/s]
966it [15:58,  1.01it/s]
967it [15:59,  1.01it/s]
968it [16:00,  1.00s/it]
969it [16:01,  1.01s/it]
970it [16:02,  1.00s/it]
971it [16:03,  1.00it/s]
972it [16:04,  1.01it/s]
973it [16:05,  1.00it/s]
974it [16:06,  1.00s/it]
975it [16:07,  1.01it/s]
976it [16:08,  1.02it/s]
977it [16:09,  1.03it/s]
978it [16:10,  1.03it/s]
979it [16:11,  1.03it/s]
980it [16:12,  1.01it/s]
981it [16:13,  1.01it/s]
982it [16:14,  1.00it/s]
983it [16:15,  1.00it/s]
984it [16:16,  1.01it/s]
985it [16:17,  1.01it/s]
986it [16:18,  1.01it/s]
987it [16:18,  1.02it/s]
988it [16:19,  1.01it/s]
989it [16:20,  1.01it/s]
990it [16:22,  1.00it/s]
991it [16:23,  1.00it/s]
992it [16:24,  1.00s/it]
993it [16:25,  1.00s/it]
994it [16:26,  1.01s/it]
995it [16:27,  1.00s/it]
996it [16:28,  1.01s/it]
997it [16:29,  1.01s/it]
998it [16:30,  1.00s/it]
999it [16:31,  1.01s/it]
1000it [16:32,  1.02s/it]
1000it [16:32,  1.01it/s]
Enumerated peptides:
	Number of peptides: 1000000
Conversion errors:
	SMILES: 0
⏰ Completed process in 0:16:32.131618

0it [00:00, ?it/s]
1it [00:10, 10.82s/it]
2it [00:21, 10.72s/it]
3it [00:32, 10.70s/it]
4it [00:42, 10.70s/it]
5it [00:53, 10.68s/it]
6it [01:04, 10.62s/it]
7it [01:14, 10.62s/it]
8it [01:25, 10.59s/it]
9it [01:35, 10.57s/it]
10it [01:46, 10.56s/it]
11it [01:56, 10.57s/it]
12it [02:07, 10.56s/it]
13it [02:17, 10.54s/it]
14it [02:28, 10.55s/it]
15it [02:38, 10.54s/it]
16it [02:49, 10.59s/it]
17it [03:00, 10.64s/it]
18it [03:10, 10.62s/it]
19it [03:21, 10.57s/it]
20it [03:32, 10.58s/it]
21it [03:42, 10.59s/it]
22it [03:53, 10.60s/it]
23it [04:03, 10.61s/it]
24it [04:14, 10.63s/it]
25it [04:25, 10.68s/it]
26it [04:36, 10.74s/it]
27it [04:46, 10.73s/it]
28it [04:57, 10.75s/it]
29it [05:08, 10.78s/it]
30it [05:19, 10.75s/it]
31it [05:29, 10.74s/it]
32it [05:40, 10.79s/it]
33it [05:51, 10.84s/it]
34it [06:02, 10.92s/it]
35it [06:13, 10.93s/it]
36it [06:24, 10.97s/it]
37it [06:36, 11.03s/it]
38it [06:47, 11.10s/it]
39it [06:58, 11.02s/it]
40it [07:09, 10.95s/it]
41it [07:19, 10.91s/it]
42it [07:30, 10.97s/it]
43it [07:42, 11.00s/it]
44it [07:53, 11.02s/it]
45it [08:04, 11.03s/it]
46it [08:15, 11.09s/it]
47it [08:26, 11.05s/it]
48it [08:37, 10.99s/it]
49it [08:48, 11.07s/it]
50it [08:59, 11.09s/it]
51it [09:10, 11.05s/it]
52it [09:21, 11.04s/it]
53it [09:32, 11.00s/it]
54it [09:43, 11.04s/it]
55it [09:54, 11.06s/it]
56it [10:05, 11.06s/it]
57it [10:16, 11.04s/it]
58it [10:27, 11.01s/it]
59it [10:38, 11.02s/it]
60it [10:49, 10.99s/it]
61it [11:00, 11.02s/it]
62it [11:11, 11.05s/it]
63it [11:22, 11.02s/it]
64it [11:33, 10.98s/it]
65it [11:44, 10.97s/it]
66it [11:55, 10.96s/it]
67it [12:06, 10.98s/it]
68it [12:17, 11.00s/it]
69it [12:28, 11.01s/it]
70it [12:39, 10.97s/it]
71it [12:50, 10.93s/it]
72it [13:01, 10.87s/it]
73it [13:11, 10.85s/it]
74it [13:22, 10.85s/it]
75it [13:33, 10.81s/it]
76it [13:44, 10.79s/it]
77it [13:54, 10.78s/it]
78it [14:05, 10.78s/it]
79it [14:16, 10.80s/it]
80it [14:27, 10.78s/it]
81it [14:38, 10.75s/it]
82it [14:48, 10.70s/it]
83it [14:59, 10.74s/it]
84it [15:10, 10.72s/it]
85it [15:20, 10.74s/it]
86it [15:31, 10.74s/it]
87it [15:42, 10.76s/it]
88it [15:53, 10.75s/it]
89it [16:03, 10.76s/it]
90it [16:14, 10.79s/it]
91it [16:25, 10.81s/it]
92it [16:36, 10.88s/it]
93it [16:47, 10.87s/it]
94it [16:58, 10.83s/it]
95it [17:08, 10.78s/it]
96it [17:19, 10.73s/it]
97it [17:30, 10.71s/it]
98it [17:40, 10.66s/it]
99it [17:51, 10.64s/it]
100it [18:02, 10.66s/it]
101it [18:12, 10.70s/it]
102it [18:23, 10.77s/it]
103it [18:34, 10.77s/it]
104it [18:45, 10.78s/it]
105it [18:56, 10.80s/it]
106it [19:07, 10.80s/it]
107it [19:17, 10.82s/it]
108it [19:28, 10.87s/it]
109it [19:39, 10.90s/it]
110it [19:50, 10.92s/it]
111it [20:01, 10.91s/it]
112it [20:12, 10.89s/it]
113it [20:23, 10.87s/it]
114it [20:34, 10.89s/it]
115it [20:45, 10.91s/it]
116it [20:56, 10.90s/it]
117it [21:07, 10.89s/it]
118it [21:17, 10.85s/it]
119it [21:28, 10.86s/it]
120it [21:39, 10.83s/it]
121it [21:50, 10.90s/it]
122it [22:01, 10.91s/it]
123it [22:12, 10.92s/it]
124it [22:23, 10.94s/it]
125it [22:34, 10.93s/it]
126it [22:45, 10.88s/it]
127it [22:55, 10.84s/it]
128it [23:06, 10.81s/it]
129it [23:17, 10.83s/it]
130it [23:28, 10.79s/it]
131it [23:38, 10.76s/it]
132it [23:49, 10.71s/it]
133it [23:59, 10.68s/it]
134it [24:10, 10.64s/it]
135it [24:21, 10.65s/it]
136it [24:31, 10.65s/it]
137it [24:42, 10.64s/it]
138it [24:53, 10.64s/it]
139it [25:03, 10.62s/it]
140it [25:14, 10.66s/it]
141it [25:25, 10.69s/it]
142it [25:35, 10.67s/it]
143it [25:46, 10.68s/it]
144it [25:56, 10.62s/it]
145it [26:07, 10.60s/it]
146it [26:18, 10.62s/it]
147it [26:28, 10.61s/it]
148it [26:39, 10.57s/it]
149it [26:49, 10.58s/it]
150it [27:00, 10.60s/it]
151it [27:11, 10.60s/it]
152it [27:21, 10.60s/it]
153it [27:32, 10.59s/it]
154it [27:42, 10.59s/it]
155it [27:53, 10.60s/it]
156it [28:04, 10.58s/it]
157it [28:14, 10.57s/it]
158it [28:25, 10.61s/it]
159it [28:35, 10.59s/it]
160it [28:46, 10.61s/it]
161it [28:56, 10.56s/it]
162it [29:07, 10.59s/it]
163it [29:18, 10.61s/it]
164it [29:28, 10.61s/it]
165it [29:39, 10.58s/it]
166it [29:49, 10.55s/it]
167it [30:00, 10.57s/it]
168it [30:11, 10.58s/it]
169it [30:21, 10.62s/it]
170it [30:32, 10.63s/it]
171it [30:42, 10.59s/it]
172it [30:53, 10.58s/it]
173it [31:04, 10.57s/it]
174it [31:14, 10.62s/it]
175it [31:25, 10.63s/it]
176it [31:36, 10.61s/it]
177it [31:46, 10.58s/it]
178it [31:56, 10.54s/it]
179it [32:07, 10.57s/it]
180it [32:18, 10.67s/it]
181it [32:29, 10.68s/it]
182it [32:39, 10.64s/it]
183it [32:50, 10.59s/it]
184it [33:00, 10.62s/it]
185it [33:11, 10.63s/it]
186it [33:22, 10.60s/it]
187it [33:32, 10.63s/it]
188it [33:43, 10.59s/it]
189it [33:53, 10.59s/it]
190it [34:04, 10.61s/it]
191it [34:15, 10.59s/it]
192it [34:25, 10.62s/it]
193it [34:36, 10.61s/it]
194it [34:46, 10.61s/it]
195it [34:57, 10.61s/it]
196it [35:08, 10.63s/it]
197it [35:18, 10.66s/it]
198it [35:29, 10.65s/it]
199it [35:40, 10.68s/it]
200it [35:50, 10.63s/it]
201it [36:01, 10.62s/it]
202it [36:11, 10.58s/it]
203it [36:22, 10.60s/it]
204it [36:33, 10.63s/it]
205it [36:43, 10.64s/it]
206it [36:54, 10.58s/it]
207it [37:04, 10.56s/it]
208it [37:15, 10.52s/it]
209it [37:26, 10.56s/it]
210it [37:36, 10.62s/it]
211it [37:47, 10.62s/it]
212it [37:57, 10.61s/it]
213it [38:08, 10.58s/it]
214it [38:19, 10.60s/it]
215it [38:29, 10.63s/it]
216it [38:40, 10.65s/it]
217it [38:51, 10.65s/it]
218it [39:01, 10.59s/it]
219it [39:12, 10.54s/it]
220it [39:22, 10.54s/it]
221it [39:33, 10.59s/it]
222it [39:43, 10.60s/it]
223it [39:54, 10.60s/it]
224it [40:05, 10.56s/it]
225it [40:15, 10.51s/it]
226it [40:25, 10.52s/it]
227it [40:36, 10.53s/it]
228it [40:47, 10.56s/it]
229it [40:57, 10.55s/it]
230it [41:08, 10.51s/it]
231it [41:18, 10.50s/it]
232it [41:29, 10.55s/it]
233it [41:39, 10.57s/it]
234it [41:50, 10.60s/it]
235it [42:00, 10.57s/it]
236it [42:11, 10.54s/it]
237it [42:21, 10.53s/it]
238it [42:32, 10.53s/it]
239it [42:43, 10.55s/it]
240it [42:53, 10.59s/it]
241it [43:04, 10.57s/it]
242it [43:14, 10.55s/it]
243it [43:25, 10.50s/it]
244it [43:35, 10.55s/it]
245it [43:46, 10.56s/it]
246it [43:57, 10.62s/it]
247it [44:07, 10.60s/it]
248it [44:18, 10.58s/it]
249it [44:28, 10.56s/it]
250it [44:39, 10.61s/it]
251it [44:50, 10.68s/it]
252it [45:01, 10.71s/it]
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255it [45:33, 10.67s/it]
256it [45:43, 10.68s/it]
257it [45:54, 10.70s/it]
258it [46:05, 10.72s/it]
259it [46:16, 10.75s/it]
260it [46:26, 10.69s/it]
261it [46:37, 10.66s/it]
262it [46:47, 10.67s/it]
263it [46:58, 10.70s/it]
264it [47:09, 10.78s/it]
265it [47:20, 10.82s/it]
266it [47:31, 10.78s/it]
267it [47:42, 10.79s/it]
268it [47:52, 10.80s/it]
269it [48:03, 10.86s/it]
270it [48:15, 10.93s/it]
271it [48:25, 10.88s/it]
272it [48:36, 10.82s/it]
273it [48:47, 10.77s/it]
274it [48:57, 10.75s/it]
275it [49:08, 10.78s/it]
276it [49:19, 10.75s/it]
277it [49:30, 10.75s/it]
278it [49:40, 10.73s/it]
279it [49:51, 10.68s/it]
280it [50:02, 10.74s/it]
281it [50:13, 10.77s/it]
282it [50:23, 10.81s/it]
283it [50:34, 10.78s/it]
284it [50:45, 10.73s/it]
285it [50:55, 10.71s/it]
286it [51:06, 10.69s/it]
287it [51:17, 10.73s/it]
288it [51:28, 10.72s/it]
289it [51:38, 10.72s/it]
290it [51:49, 10.68s/it]
291it [51:59, 10.65s/it]
292it [52:10, 10.64s/it]
293it [52:21, 10.69s/it]
294it [52:32, 10.72s/it]
295it [52:42, 10.72s/it]
296it [52:53, 10.70s/it]
297it [53:04, 10.65s/it]
298it [53:14, 10.66s/it]
299it [53:25, 10.73s/it]
300it [53:36, 10.82s/it]
301it [53:47, 10.83s/it]
302it [53:58, 10.77s/it]
303it [54:08, 10.69s/it]
304it [54:19, 10.69s/it]
305it [54:30, 10.73s/it]
306it [54:41, 10.79s/it]
307it [54:52, 10.81s/it]
308it [55:02, 10.73s/it]
309it [55:13, 10.68s/it]
310it [55:23, 10.69s/it]
311it [55:34, 10.74s/it]
312it [55:45, 10.79s/it]
313it [55:56, 10.79s/it]
314it [56:07, 10.78s/it]
315it [56:17, 10.74s/it]
316it [56:28, 10.77s/it]
317it [56:39, 10.78s/it]
318it [56:50, 10.82s/it]
319it [57:01, 10.82s/it]
320it [57:11, 10.80s/it]
321it [57:22, 10.76s/it]
322it [57:33, 10.71s/it]
323it [57:43, 10.69s/it]
324it [57:54, 10.78s/it]
325it [58:05, 10.74s/it]
326it [58:16, 10.74s/it]
327it [58:26, 10.72s/it]
328it [58:37, 10.74s/it]
329it [58:48, 10.77s/it]
330it [58:59, 10.79s/it]
331it [59:09, 10.75s/it]
332it [59:20, 10.75s/it]
333it [59:31, 10.78s/it]
334it [59:42, 10.79s/it]
335it [59:53, 10.86s/it]
336it [1:00:04, 10.91s/it]
337it [1:00:15, 10.95s/it]
338it [1:00:26, 11.00s/it]
339it [1:00:37, 11.01s/it]
340it [1:00:48, 11.01s/it]
341it [1:00:59, 11.05s/it]
342it [1:01:10, 11.02s/it]
343it [1:01:21, 11.02s/it]
344it [1:01:32, 11.01s/it]
345it [1:01:43, 10.96s/it]
346it [1:01:54, 10.92s/it]
347it [1:02:05, 10.94s/it]
348it [1:02:16, 10.90s/it]
349it [1:02:27, 10.89s/it]
350it [1:02:38, 10.91s/it]
351it [1:02:49, 10.94s/it]
352it [1:02:59, 10.92s/it]
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966it [2:54:26, 10.48s/it]
967it [2:54:36, 10.48s/it]
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969it [2:54:57, 10.49s/it]
970it [2:55:08, 10.52s/it]
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972it [2:55:29, 10.56s/it]
973it [2:55:40, 10.57s/it]
974it [2:55:50, 10.60s/it]
975it [2:56:01, 10.58s/it]
976it [2:56:11, 10.55s/it]
977it [2:56:22, 10.56s/it]
978it [2:56:33, 10.54s/it]
979it [2:56:43, 10.52s/it]
980it [2:56:54, 10.51s/it]
981it [2:57:04, 10.52s/it]
982it [2:57:15, 10.54s/it]
983it [2:57:25, 10.54s/it]
984it [2:57:36, 10.54s/it]
985it [2:57:46, 10.52s/it]
986it [2:57:57, 10.50s/it]
987it [2:58:07, 10.49s/it]
988it [2:58:18, 10.49s/it]
989it [2:58:28, 10.50s/it]
990it [2:58:39, 10.48s/it]
991it [2:58:49, 10.48s/it]
992it [2:59:00, 10.50s/it]
993it [2:59:10, 10.47s/it]
994it [2:59:21, 10.49s/it]
995it [2:59:31, 10.47s/it]
996it [2:59:41, 10.48s/it]
997it [2:59:52, 10.50s/it]
998it [3:00:03, 10.51s/it]
999it [3:00:13, 10.50s/it]
1000it [3:00:24, 10.49s/it]
1000it [3:00:24, 10.82s/it]
Error counts:
	linear_id: 0
	linear_inchikey: 0
	linear_scaffold: 0
	linear_mwt: 0
	linear_clogp: 0
	linear_tpsa: 0
⏰ Completed process in 3:16:56.931943

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708it [1:37:09,  8.19s/it]
709it [1:37:17,  8.19s/it]
710it [1:37:25,  8.17s/it]
711it [1:37:33,  8.18s/it]
712it [1:37:41,  8.18s/it]
713it [1:37:49,  8.19s/it]
714it [1:37:58,  8.18s/it]
715it [1:38:06,  8.16s/it]
716it [1:38:14,  8.15s/it]
717it [1:38:22,  8.16s/it]
718it [1:38:30,  8.15s/it]
719it [1:38:38,  8.18s/it]
720it [1:38:47,  8.17s/it]
721it [1:38:55,  8.16s/it]
722it [1:39:03,  8.16s/it]
723it [1:39:11,  8.16s/it]
724it [1:39:19,  8.17s/it]
725it [1:39:27,  8.19s/it]
726it [1:39:36,  8.19s/it]
727it [1:39:44,  8.20s/it]
728it [1:39:52,  8.20s/it]
729it [1:40:00,  8.19s/it]
730it [1:40:08,  8.20s/it]
731it [1:40:17,  8.20s/it]
732it [1:40:25,  8.21s/it]
733it [1:40:33,  8.20s/it]
734it [1:40:41,  8.21s/it]
735it [1:40:49,  8.20s/it]
736it [1:40:58,  8.19s/it]
737it [1:41:06,  8.20s/it]
738it [1:41:14,  8.20s/it]
739it [1:41:22,  8.20s/it]
740it [1:41:31,  8.22s/it]
741it [1:41:39,  8.21s/it]
742it [1:41:47,  8.21s/it]
743it [1:41:55,  8.20s/it]
744it [1:42:03,  8.20s/it]
745it [1:42:12,  8.21s/it]
746it [1:42:20,  8.20s/it]
747it [1:42:28,  8.18s/it]
748it [1:42:36,  8.19s/it]
749it [1:42:44,  8.21s/it]
750it [1:42:52,  8.19s/it]
751it [1:43:01,  8.20s/it]
752it [1:43:09,  8.19s/it]
753it [1:43:17,  8.17s/it]
754it [1:43:25,  8.17s/it]
755it [1:43:33,  8.17s/it]
756it [1:43:42,  8.21s/it]
757it [1:43:50,  8.23s/it]
758it [1:43:58,  8.22s/it]
759it [1:44:06,  8.22s/it]
760it [1:44:15,  8.24s/it]
761it [1:44:23,  8.24s/it]
762it [1:44:31,  8.24s/it]
763it [1:44:39,  8.25s/it]
764it [1:44:48,  8.27s/it]
765it [1:44:56,  8.27s/it]
766it [1:45:04,  8.30s/it]
767it [1:45:13,  8.29s/it]
768it [1:45:21,  8.28s/it]
769it [1:45:29,  8.25s/it]
770it [1:45:37,  8.23s/it]
771it [1:45:45,  8.23s/it]
772it [1:45:54,  8.23s/it]
773it [1:46:02,  8.22s/it]
774it [1:46:10,  8.21s/it]
775it [1:46:18,  8.21s/it]
776it [1:46:26,  8.21s/it]
777it [1:46:35,  8.20s/it]
778it [1:46:43,  8.22s/it]
779it [1:46:51,  8.23s/it]
780it [1:46:59,  8.24s/it]
781it [1:47:08,  8.22s/it]
782it [1:47:16,  8.22s/it]
783it [1:47:24,  8.22s/it]
784it [1:47:32,  8.24s/it]
785it [1:47:41,  8.23s/it]
786it [1:47:49,  8.22s/it]
787it [1:47:57,  8.22s/it]
788it [1:48:05,  8.20s/it]
789it [1:48:13,  8.20s/it]
790it [1:48:21,  8.19s/it]
791it [1:48:30,  8.18s/it]
792it [1:48:38,  8.17s/it]
793it [1:48:46,  8.17s/it]
794it [1:48:54,  8.15s/it]
795it [1:49:02,  8.14s/it]
796it [1:49:10,  8.15s/it]
797it [1:49:18,  8.16s/it]
798it [1:49:27,  8.17s/it]
799it [1:49:35,  8.19s/it]
800it [1:49:43,  8.16s/it]
801it [1:49:51,  8.17s/it]
802it [1:49:59,  8.16s/it]
803it [1:50:08,  8.17s/it]
804it [1:50:16,  8.18s/it]
805it [1:50:24,  8.18s/it]
806it [1:50:32,  8.18s/it]
807it [1:50:40,  8.17s/it]
808it [1:50:48,  8.15s/it]
809it [1:50:56,  8.13s/it]
810it [1:51:05,  8.15s/it]
811it [1:51:13,  8.16s/it]
812it [1:51:21,  8.17s/it]
813it [1:51:29,  8.17s/it]
814it [1:51:37,  8.16s/it]
815it [1:51:46,  8.18s/it]
816it [1:51:54,  8.16s/it]
817it [1:52:02,  8.16s/it]
818it [1:52:10,  8.16s/it]
819it [1:52:18,  8.15s/it]
820it [1:52:26,  8.11s/it]
821it [1:52:34,  8.11s/it]
822it [1:52:42,  8.10s/it]
823it [1:52:50,  8.11s/it]
824it [1:52:59,  8.13s/it]
825it [1:53:07,  8.12s/it]
826it [1:53:15,  8.12s/it]
827it [1:53:23,  8.11s/it]
828it [1:53:31,  8.10s/it]
829it [1:53:39,  8.10s/it]
830it [1:53:47,  8.10s/it]
831it [1:53:55,  8.12s/it]
832it [1:54:03,  8.12s/it]
833it [1:54:12,  8.13s/it]
834it [1:54:20,  8.12s/it]
835it [1:54:28,  8.10s/it]
836it [1:54:36,  8.11s/it]
837it [1:54:44,  8.10s/it]
838it [1:54:52,  8.09s/it]
839it [1:55:00,  8.10s/it]
840it [1:55:08,  8.12s/it]
841it [1:55:16,  8.11s/it]
842it [1:55:25,  8.11s/it]
843it [1:55:33,  8.11s/it]
844it [1:55:41,  8.11s/it]
845it [1:55:49,  8.12s/it]
846it [1:55:57,  8.11s/it]
847it [1:56:05,  8.11s/it]
848it [1:56:13,  8.08s/it]
849it [1:56:21,  8.10s/it]
850it [1:56:29,  8.10s/it]
851it [1:56:37,  8.09s/it]
852it [1:56:46,  8.10s/it]
853it [1:56:54,  8.10s/it]
854it [1:57:02,  8.10s/it]
855it [1:57:10,  8.08s/it]
856it [1:57:18,  8.09s/it]
857it [1:57:26,  8.10s/it]
858it [1:57:34,  8.10s/it]
859it [1:57:42,  8.09s/it]
860it [1:57:50,  8.10s/it]
861it [1:57:58,  8.09s/it]
862it [1:58:06,  8.09s/it]
863it [1:58:15,  8.09s/it]
864it [1:58:23,  8.08s/it]
865it [1:58:31,  8.09s/it]
866it [1:58:39,  8.10s/it]
867it [1:58:47,  8.09s/it]
868it [1:58:55,  8.11s/it]
869it [1:59:03,  8.10s/it]
870it [1:59:11,  8.10s/it]
871it [1:59:19,  8.12s/it]
872it [1:59:27,  8.11s/it]
873it [1:59:36,  8.09s/it]
874it [1:59:44,  8.08s/it]
875it [1:59:52,  8.08s/it]
876it [2:00:00,  8.08s/it]
877it [2:00:08,  8.10s/it]
878it [2:00:16,  8.09s/it]
879it [2:00:24,  8.08s/it]
880it [2:00:32,  8.08s/it]
881it [2:00:40,  8.08s/it]
882it [2:00:48,  8.07s/it]
883it [2:00:56,  8.09s/it]
884it [2:01:04,  8.08s/it]
885it [2:01:13,  8.09s/it]
886it [2:01:21,  8.09s/it]
887it [2:01:29,  8.09s/it]
888it [2:01:37,  8.08s/it]
889it [2:01:45,  8.08s/it]
890it [2:01:53,  8.10s/it]
891it [2:02:01,  8.09s/it]
892it [2:02:09,  8.07s/it]
893it [2:02:17,  8.08s/it]
894it [2:02:25,  8.07s/it]
895it [2:02:33,  8.07s/it]
896it [2:02:42,  8.11s/it]
897it [2:02:50,  8.09s/it]
898it [2:02:58,  8.09s/it]
899it [2:03:06,  8.07s/it]
900it [2:03:14,  8.08s/it]
901it [2:03:22,  8.11s/it]
902it [2:03:30,  8.08s/it]
903it [2:03:38,  8.07s/it]
904it [2:03:46,  8.07s/it]
905it [2:03:54,  8.07s/it]
906it [2:04:02,  8.07s/it]
907it [2:04:10,  8.09s/it]
908it [2:04:18,  8.07s/it]
909it [2:04:26,  8.07s/it]
910it [2:04:35,  8.07s/it]
911it [2:04:43,  8.09s/it]
912it [2:04:51,  8.09s/it]
913it [2:04:59,  8.09s/it]
914it [2:05:07,  8.10s/it]
915it [2:05:15,  8.11s/it]
916it [2:05:23,  8.10s/it]
917it [2:05:31,  8.10s/it]
918it [2:05:39,  8.09s/it]
919it [2:05:47,  8.07s/it]
920it [2:05:55,  8.07s/it]
921it [2:06:04,  8.10s/it]
922it [2:06:12,  8.10s/it]
923it [2:06:20,  8.07s/it]
924it [2:06:28,  8.09s/it]
925it [2:06:36,  8.07s/it]
926it [2:06:44,  8.08s/it]
927it [2:06:52,  8.08s/it]
928it [2:07:00,  8.07s/it]
929it [2:07:08,  8.05s/it]
930it [2:07:16,  8.05s/it]
931it [2:07:24,  8.05s/it]
932it [2:07:32,  8.05s/it]
933it [2:07:40,  8.04s/it]
934it [2:07:48,  8.05s/it]
935it [2:07:56,  8.06s/it]
936it [2:08:05,  8.06s/it]
937it [2:08:13,  8.08s/it]
938it [2:08:21,  8.07s/it]
939it [2:08:29,  8.07s/it]
940it [2:08:37,  8.07s/it]
941it [2:08:45,  8.07s/it]
942it [2:08:53,  8.07s/it]
943it [2:09:01,  8.07s/it]
944it [2:09:09,  8.08s/it]
945it [2:09:17,  8.06s/it]
946it [2:09:25,  8.08s/it]
947it [2:09:33,  8.07s/it]
948it [2:09:41,  8.07s/it]
949it [2:09:49,  8.07s/it]
950it [2:09:57,  8.06s/it]
951it [2:10:06,  8.06s/it]
952it [2:10:14,  8.05s/it]
953it [2:10:22,  8.05s/it]
954it [2:10:30,  8.06s/it]
955it [2:10:38,  8.07s/it]
956it [2:10:46,  8.08s/it]
957it [2:10:54,  8.09s/it]
958it [2:11:02,  8.08s/it]
959it [2:11:10,  8.08s/it]
960it [2:11:18,  8.08s/it]
961it [2:11:26,  8.07s/it]
962it [2:11:34,  8.08s/it]
963it [2:11:42,  8.08s/it]
964it [2:11:50,  8.07s/it]
965it [2:11:59,  8.06s/it]
966it [2:12:07,  8.05s/it]
967it [2:12:15,  8.06s/it]
968it [2:12:23,  8.07s/it]
969it [2:12:31,  8.07s/it]
970it [2:12:39,  8.07s/it]
971it [2:12:47,  8.06s/it]
972it [2:12:55,  8.07s/it]
973it [2:13:03,  8.05s/it]
974it [2:13:11,  8.07s/it]
975it [2:13:19,  8.06s/it]
976it [2:13:27,  8.05s/it]
977it [2:13:35,  8.06s/it]
978it [2:13:43,  8.06s/it]
979it [2:13:51,  8.08s/it]
980it [2:14:00,  8.09s/it]
981it [2:14:08,  8.10s/it]
982it [2:14:16,  8.13s/it]
983it [2:14:24,  8.15s/it]
984it [2:14:32,  8.15s/it]
985it [2:14:40,  8.16s/it]
986it [2:14:49,  8.14s/it]
987it [2:14:57,  8.11s/it]
988it [2:15:05,  8.11s/it]
989it [2:15:13,  8.12s/it]
990it [2:15:21,  8.11s/it]
991it [2:15:29,  8.09s/it]
992it [2:15:37,  8.08s/it]
993it [2:15:45,  8.07s/it]
994it [2:15:53,  8.08s/it]
995it [2:16:01,  8.07s/it]
996it [2:16:09,  8.07s/it]
997it [2:16:17,  8.08s/it]
998it [2:16:26,  8.09s/it]
999it [2:16:34,  8.10s/it]
1000it [2:16:42,  8.11s/it]
1000it [2:16:42,  8.20s/it]
Error counts:
	cysteine_to_N_cyclization: 0
⏰ Completed process in 5:33:39.941929

0it [00:00, ?it/s]
1it [00:10, 10.72s/it]
2it [00:21, 10.58s/it]
3it [00:31, 10.52s/it]
4it [00:42, 10.51s/it]
5it [00:52, 10.50s/it]
6it [01:03, 10.51s/it]
7it [01:13, 10.52s/it]
8it [01:24, 10.50s/it]
9it [01:34, 10.48s/it]
10it [01:45, 10.49s/it]
11it [01:55, 10.49s/it]
12it [02:06, 10.48s/it]
13it [02:16, 10.48s/it]
14it [02:27, 10.49s/it]
15it [02:37, 10.52s/it]
16it [02:48, 10.52s/it]
17it [02:58, 10.53s/it]
18it [03:09, 10.53s/it]
19it [03:19, 10.52s/it]
20it [03:30, 10.55s/it]
21it [03:40, 10.53s/it]
22it [03:51, 10.54s/it]
23it [04:01, 10.55s/it]
24it [04:12, 10.54s/it]
25it [04:23, 10.54s/it]
26it [04:33, 10.55s/it]
27it [04:44, 10.55s/it]
28it [04:54, 10.53s/it]
29it [05:05, 10.55s/it]
30it [05:15, 10.55s/it]
31it [05:26, 10.53s/it]
32it [05:36, 10.53s/it]
33it [05:47, 10.53s/it]
34it [05:57, 10.54s/it]
35it [06:08, 10.54s/it]
36it [06:18, 10.52s/it]
37it [06:29, 10.48s/it]
38it [06:39, 10.48s/it]
39it [06:50, 10.47s/it]
40it [07:00, 10.51s/it]
41it [07:11, 10.48s/it]
42it [07:21, 10.48s/it]
43it [07:32, 10.48s/it]
44it [07:42, 10.48s/it]
45it [07:53, 10.47s/it]
46it [08:03, 10.46s/it]
47it [08:13, 10.43s/it]
48it [08:24, 10.43s/it]
49it [08:34, 10.44s/it]
50it [08:45, 10.44s/it]
51it [08:55, 10.44s/it]
52it [09:06, 10.43s/it]
53it [09:16, 10.43s/it]
54it [09:27, 10.46s/it]
55it [09:37, 10.49s/it]
56it [09:48, 10.50s/it]
57it [09:58, 10.49s/it]
58it [10:09, 10.48s/it]
59it [10:19, 10.49s/it]
60it [10:29, 10.47s/it]
61it [10:40, 10.47s/it]
62it [10:50, 10.49s/it]
63it [11:01, 10.49s/it]
64it [11:12, 10.51s/it]
65it [11:22, 10.50s/it]
66it [11:33, 10.50s/it]
67it [11:43, 10.51s/it]
68it [11:54, 10.52s/it]
69it [12:04, 10.51s/it]
70it [12:15, 10.50s/it]
71it [12:25, 10.49s/it]
72it [12:35, 10.45s/it]
73it [12:46, 10.47s/it]
74it [12:56, 10.50s/it]
75it [13:07, 10.47s/it]
76it [13:17, 10.48s/it]
77it [13:28, 10.49s/it]
78it [13:38, 10.50s/it]
79it [13:49, 10.52s/it]
80it [13:59, 10.50s/it]
81it [14:10, 10.51s/it]
82it [14:20, 10.52s/it]
83it [14:31, 10.55s/it]
84it [14:42, 10.56s/it]
85it [14:52, 10.56s/it]
86it [15:03, 10.55s/it]
87it [15:13, 10.56s/it]
88it [15:24, 10.57s/it]
89it [15:34, 10.55s/it]
90it [15:45, 10.57s/it]
91it [15:56, 10.57s/it]
92it [16:06, 10.55s/it]
93it [16:17, 10.57s/it]
94it [16:27, 10.56s/it]
95it [16:38, 10.57s/it]
96it [16:48, 10.57s/it]
97it [16:59, 10.60s/it]
98it [17:10, 10.57s/it]
99it [17:20, 10.58s/it]
100it [17:31, 10.58s/it]
101it [17:41, 10.60s/it]
102it [17:52, 10.60s/it]
103it [18:03, 10.60s/it]
104it [18:13, 10.57s/it]
105it [18:24, 10.56s/it]
106it [18:34, 10.57s/it]
107it [18:45, 10.59s/it]
108it [18:56, 10.63s/it]
109it [19:06, 10.63s/it]
110it [19:17, 10.63s/it]
111it [19:28, 10.64s/it]
112it [19:38, 10.68s/it]
113it [19:49, 10.67s/it]
114it [20:00, 10.67s/it]
115it [20:10, 10.68s/it]
116it [20:21, 10.67s/it]
117it [20:32, 10.67s/it]
118it [20:42, 10.66s/it]
119it [20:53, 10.66s/it]
120it [21:04, 10.63s/it]
121it [21:14, 10.67s/it]
122it [21:25, 10.66s/it]
123it [21:36, 10.65s/it]
124it [21:46, 10.67s/it]
125it [21:57, 10.67s/it]
126it [22:08, 10.67s/it]
127it [22:18, 10.66s/it]
128it [22:29, 10.67s/it]
129it [22:40, 10.68s/it]
130it [22:50, 10.70s/it]
131it [23:01, 10.67s/it]
132it [23:12, 10.65s/it]
133it [23:22, 10.64s/it]
134it [23:33, 10.64s/it]
135it [23:44, 10.66s/it]
136it [23:54, 10.70s/it]
137it [24:05, 10.71s/it]
138it [24:16, 10.69s/it]
139it [24:26, 10.71s/it]
140it [24:37, 10.70s/it]
141it [24:48, 10.72s/it]
142it [24:59, 10.73s/it]
143it [25:09, 10.73s/it]
144it [25:20, 10.71s/it]
145it [25:31, 10.74s/it]
146it [25:42, 10.75s/it]
147it [25:52, 10.73s/it]
148it [26:03, 10.73s/it]
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624it [1:50:44, 10.64s/it]
625it [1:50:54, 10.64s/it]
626it [1:51:05, 10.67s/it]
627it [1:51:15, 10.64s/it]
628it [1:51:26, 10.61s/it]
629it [1:51:37, 10.61s/it]
630it [1:51:47, 10.60s/it]
631it [1:51:58, 10.60s/it]
632it [1:52:08, 10.60s/it]
633it [1:52:19, 10.58s/it]
634it [1:52:30, 10.58s/it]
635it [1:52:40, 10.57s/it]
636it [1:52:51, 10.57s/it]
637it [1:53:01, 10.58s/it]
638it [1:53:12, 10.58s/it]
639it [1:53:22, 10.53s/it]
640it [1:53:33, 10.52s/it]
641it [1:53:43, 10.51s/it]
642it [1:53:54, 10.48s/it]
643it [1:54:04, 10.50s/it]
644it [1:54:15, 10.50s/it]
645it [1:54:25, 10.49s/it]
646it [1:54:36, 10.46s/it]
647it [1:54:46, 10.43s/it]
648it [1:54:56, 10.44s/it]
649it [1:55:07, 10.46s/it]
650it [1:55:17, 10.46s/it]
651it [1:55:28, 10.45s/it]
652it [1:55:38, 10.49s/it]
653it [1:55:49, 10.48s/it]
654it [1:55:59, 10.46s/it]
655it [1:56:10, 10.46s/it]
656it [1:56:20, 10.43s/it]
657it [1:56:31, 10.49s/it]
658it [1:56:41, 10.50s/it]
659it [1:56:52, 10.52s/it]
660it [1:57:02, 10.54s/it]
661it [1:57:13, 10.56s/it]
662it [1:57:23, 10.56s/it]
663it [1:57:34, 10.57s/it]
664it [1:57:45, 10.59s/it]
665it [1:57:55, 10.58s/it]
666it [1:58:06, 10.57s/it]
667it [1:58:16, 10.56s/it]
668it [1:58:27, 10.57s/it]
669it [1:58:38, 10.58s/it]
670it [1:58:48, 10.59s/it]
671it [1:58:59, 10.65s/it]
672it [1:59:10, 10.64s/it]
673it [1:59:20, 10.64s/it]
674it [1:59:31, 10.64s/it]
675it [1:59:42, 10.65s/it]
676it [1:59:52, 10.64s/it]
677it [2:00:03, 10.65s/it]
678it [2:00:14, 10.67s/it]
679it [2:00:24, 10.65s/it]
680it [2:00:35, 10.67s/it]
681it [2:00:46, 10.66s/it]
682it [2:00:56, 10.61s/it]
683it [2:01:07, 10.63s/it]
684it [2:01:17, 10.62s/it]
685it [2:01:28, 10.58s/it]
686it [2:01:38, 10.60s/it]
687it [2:01:49, 10.56s/it]
688it [2:01:59, 10.55s/it]
689it [2:02:10, 10.56s/it]
690it [2:02:21, 10.56s/it]
691it [2:02:31, 10.55s/it]
692it [2:02:42, 10.53s/it]
693it [2:02:52, 10.51s/it]
694it [2:03:02, 10.48s/it]
695it [2:03:13, 10.49s/it]
696it [2:03:23, 10.49s/it]
697it [2:03:34, 10.53s/it]
698it [2:03:45, 10.52s/it]
699it [2:03:55, 10.52s/it]
700it [2:04:06, 10.53s/it]
701it [2:04:16, 10.53s/it]
702it [2:04:27, 10.57s/it]
703it [2:04:37, 10.58s/it]
704it [2:04:48, 10.55s/it]
705it [2:04:59, 10.63s/it]
706it [2:05:09, 10.61s/it]
707it [2:05:20, 10.59s/it]
708it [2:05:30, 10.58s/it]
709it [2:05:41, 10.57s/it]
710it [2:05:51, 10.55s/it]
711it [2:06:02, 10.57s/it]
712it [2:06:13, 10.56s/it]
713it [2:06:23, 10.58s/it]
714it [2:06:34, 10.62s/it]
715it [2:06:45, 10.61s/it]
716it [2:06:55, 10.59s/it]
717it [2:07:06, 10.58s/it]
718it [2:07:16, 10.56s/it]
719it [2:07:27, 10.59s/it]
720it [2:07:37, 10.58s/it]
721it [2:07:48, 10.60s/it]
722it [2:07:59, 10.61s/it]
723it [2:08:09, 10.63s/it]
724it [2:08:20, 10.63s/it]
725it [2:08:31, 10.64s/it]
726it [2:08:41, 10.62s/it]
727it [2:08:52, 10.59s/it]
728it [2:09:02, 10.60s/it]
729it [2:09:13, 10.60s/it]
730it [2:09:24, 10.60s/it]
731it [2:09:34, 10.59s/it]
732it [2:09:45, 10.59s/it]
733it [2:09:55, 10.62s/it]
734it [2:10:06, 10.63s/it]
735it [2:10:17, 10.61s/it]
736it [2:10:27, 10.59s/it]
737it [2:10:38, 10.59s/it]
738it [2:10:48, 10.59s/it]
739it [2:10:59, 10.57s/it]
740it [2:11:09, 10.59s/it]
741it [2:11:20, 10.55s/it]
742it [2:11:30, 10.56s/it]
743it [2:11:41, 10.55s/it]
744it [2:11:52, 10.55s/it]
745it [2:12:02, 10.56s/it]
746it [2:12:13, 10.55s/it]
747it [2:12:23, 10.54s/it]
748it [2:12:34, 10.56s/it]
749it [2:12:44, 10.55s/it]
750it [2:12:55, 10.53s/it]
751it [2:13:05, 10.55s/it]
752it [2:13:16, 10.54s/it]
753it [2:13:26, 10.55s/it]
754it [2:13:37, 10.56s/it]
755it [2:13:48, 10.56s/it]
756it [2:13:58, 10.57s/it]
757it [2:14:09, 10.61s/it]
758it [2:14:19, 10.59s/it]
759it [2:14:30, 10.58s/it]
760it [2:14:41, 10.59s/it]
761it [2:14:51, 10.56s/it]
762it [2:15:02, 10.58s/it]
763it [2:15:12, 10.58s/it]
764it [2:15:23, 10.64s/it]
765it [2:15:34, 10.72s/it]
766it [2:15:45, 10.79s/it]
767it [2:15:56, 10.80s/it]
768it [2:16:07, 10.84s/it]
769it [2:16:18, 10.83s/it]
770it [2:16:28, 10.85s/it]
771it [2:16:40, 10.91s/it]
772it [2:16:51, 10.97s/it]
773it [2:17:01, 10.90s/it]
774it [2:17:12, 10.90s/it]
775it [2:17:23, 10.89s/it]
776it [2:17:34, 10.87s/it]
777it [2:17:45, 10.87s/it]
778it [2:17:56, 10.87s/it]
779it [2:18:07, 10.88s/it]
780it [2:18:18, 10.90s/it]
781it [2:18:28, 10.88s/it]
782it [2:18:39, 10.88s/it]
783it [2:18:50, 10.90s/it]
784it [2:19:01, 10.90s/it]
785it [2:19:12, 10.91s/it]
786it [2:19:23, 10.91s/it]
787it [2:19:34, 10.91s/it]
788it [2:19:45, 10.89s/it]
789it [2:19:56, 10.90s/it]
790it [2:20:07, 10.91s/it]
791it [2:20:17, 10.89s/it]
792it [2:20:28, 10.88s/it]
793it [2:20:39, 10.88s/it]
794it [2:20:50, 10.87s/it]
795it [2:21:01, 10.86s/it]
796it [2:21:12, 10.87s/it]
797it [2:21:23, 10.87s/it]
798it [2:21:33, 10.87s/it]
799it [2:21:44, 10.89s/it]
800it [2:21:55, 10.90s/it]
801it [2:22:06, 10.95s/it]
802it [2:22:17, 10.93s/it]
803it [2:22:28, 10.97s/it]
804it [2:22:39, 10.95s/it]
805it [2:22:50, 10.92s/it]
806it [2:23:01, 10.91s/it]
807it [2:23:12, 10.92s/it]
808it [2:23:23, 10.90s/it]
809it [2:23:34, 10.91s/it]
810it [2:23:45, 10.94s/it]
811it [2:23:56, 10.93s/it]
812it [2:24:07, 10.96s/it]
813it [2:24:18, 10.94s/it]
814it [2:24:28, 10.94s/it]
815it [2:24:39, 10.94s/it]
816it [2:24:50, 10.89s/it]
817it [2:25:01, 10.86s/it]
818it [2:25:12, 10.86s/it]
819it [2:25:23, 10.87s/it]
820it [2:25:34, 10.85s/it]
821it [2:25:44, 10.86s/it]
822it [2:25:55, 10.86s/it]
823it [2:26:06, 10.87s/it]
824it [2:26:17, 10.90s/it]
825it [2:26:28, 10.88s/it]
826it [2:26:39, 10.86s/it]
827it [2:26:50, 10.85s/it]
828it [2:27:01, 10.88s/it]
829it [2:27:11, 10.85s/it]
830it [2:27:22, 10.81s/it]
831it [2:27:33, 10.80s/it]
832it [2:27:44, 10.77s/it]
833it [2:27:54, 10.75s/it]
834it [2:28:05, 10.73s/it]
835it [2:28:16, 10.73s/it]
836it [2:28:26, 10.76s/it]
837it [2:28:37, 10.75s/it]
838it [2:28:48, 10.73s/it]
839it [2:28:59, 10.74s/it]
840it [2:29:09, 10.76s/it]
841it [2:29:20, 10.74s/it]
842it [2:29:31, 10.76s/it]
843it [2:29:42, 10.78s/it]
844it [2:29:53, 10.78s/it]
845it [2:30:03, 10.79s/it]
846it [2:30:14, 10.79s/it]
847it [2:30:25, 10.78s/it]
848it [2:30:36, 10.77s/it]
849it [2:30:46, 10.77s/it]
850it [2:30:57, 10.75s/it]
851it [2:31:08, 10.77s/it]
852it [2:31:19, 10.78s/it]
853it [2:31:29, 10.77s/it]
854it [2:31:40, 10.79s/it]
855it [2:31:51, 10.79s/it]
856it [2:32:02, 10.79s/it]
857it [2:32:13, 10.81s/it]
858it [2:32:23, 10.77s/it]
859it [2:32:34, 10.75s/it]
860it [2:32:45, 10.73s/it]
861it [2:32:56, 10.72s/it]
862it [2:33:06, 10.73s/it]
863it [2:33:17, 10.73s/it]
864it [2:33:28, 10.70s/it]
865it [2:33:38, 10.70s/it]
866it [2:33:49, 10.69s/it]
867it [2:34:00, 10.71s/it]
868it [2:34:11, 10.76s/it]
869it [2:34:21, 10.74s/it]
870it [2:34:32, 10.73s/it]
871it [2:34:43, 10.73s/it]
872it [2:34:53, 10.72s/it]
873it [2:35:04, 10.72s/it]
874it [2:35:15, 10.74s/it]
875it [2:35:26, 10.73s/it]
876it [2:35:36, 10.73s/it]
877it [2:35:47, 10.75s/it]
878it [2:35:58, 10.74s/it]
879it [2:36:09, 10.72s/it]
880it [2:36:19, 10.73s/it]
881it [2:36:30, 10.72s/it]
882it [2:36:41, 10.71s/it]
883it [2:36:51, 10.71s/it]
884it [2:37:02, 10.71s/it]
885it [2:37:13, 10.71s/it]
886it [2:37:23, 10.69s/it]
887it [2:37:34, 10.68s/it]
888it [2:37:45, 10.67s/it]
889it [2:37:55, 10.65s/it]
890it [2:38:06, 10.64s/it]
891it [2:38:17, 10.63s/it]
892it [2:38:27, 10.60s/it]
893it [2:38:38, 10.59s/it]
894it [2:38:48, 10.62s/it]
895it [2:38:59, 10.61s/it]
896it [2:39:10, 10.63s/it]
897it [2:39:20, 10.63s/it]
898it [2:39:31, 10.61s/it]
899it [2:39:41, 10.59s/it]
900it [2:39:52, 10.60s/it]
901it [2:40:03, 10.60s/it]
902it [2:40:13, 10.56s/it]
903it [2:40:24, 10.55s/it]
904it [2:40:34, 10.54s/it]
905it [2:40:45, 10.53s/it]
906it [2:40:55, 10.54s/it]
907it [2:41:06, 10.52s/it]
908it [2:41:16, 10.52s/it]
909it [2:41:27, 10.51s/it]
910it [2:41:37, 10.53s/it]
911it [2:41:48, 10.55s/it]
912it [2:41:58, 10.58s/it]
913it [2:42:09, 10.56s/it]
914it [2:42:20, 10.54s/it]
915it [2:42:30, 10.54s/it]
916it [2:42:41, 10.53s/it]
917it [2:42:51, 10.53s/it]
918it [2:43:01, 10.49s/it]
919it [2:43:12, 10.47s/it]
920it [2:43:22, 10.46s/it]
921it [2:43:33, 10.48s/it]
922it [2:43:43, 10.46s/it]
923it [2:43:54, 10.47s/it]
924it [2:44:04, 10.47s/it]
925it [2:44:15, 10.46s/it]
926it [2:44:25, 10.48s/it]
927it [2:44:36, 10.47s/it]
928it [2:44:46, 10.47s/it]
929it [2:44:57, 10.45s/it]
930it [2:45:07, 10.47s/it]
931it [2:45:18, 10.49s/it]
932it [2:45:28, 10.47s/it]
933it [2:45:38, 10.47s/it]
934it [2:45:49, 10.49s/it]
935it [2:45:59, 10.49s/it]
936it [2:46:10, 10.49s/it]
937it [2:46:20, 10.49s/it]
938it [2:46:31, 10.49s/it]
939it [2:46:41, 10.50s/it]
940it [2:46:52, 10.50s/it]
941it [2:47:02, 10.50s/it]
942it [2:47:13, 10.49s/it]
943it [2:47:23, 10.48s/it]
944it [2:47:34, 10.49s/it]
945it [2:47:44, 10.49s/it]
946it [2:47:55, 10.49s/it]
947it [2:48:05, 10.51s/it]
948it [2:48:16, 10.51s/it]
949it [2:48:26, 10.52s/it]
950it [2:48:37, 10.51s/it]
951it [2:48:47, 10.49s/it]
952it [2:48:58, 10.47s/it]
953it [2:49:08, 10.47s/it]
954it [2:49:19, 10.48s/it]
955it [2:49:29, 10.49s/it]
956it [2:49:40, 10.49s/it]
957it [2:49:50, 10.49s/it]
958it [2:50:01, 10.50s/it]
959it [2:50:11, 10.50s/it]
960it [2:50:22, 10.48s/it]
961it [2:50:32, 10.48s/it]
962it [2:50:43, 10.49s/it]
963it [2:50:53, 10.49s/it]
964it [2:51:04, 10.53s/it]
965it [2:51:14, 10.54s/it]
966it [2:51:25, 10.57s/it]
967it [2:51:36, 10.59s/it]
968it [2:51:46, 10.59s/it]
969it [2:51:57, 10.60s/it]
970it [2:52:08, 10.63s/it]
971it [2:52:18, 10.64s/it]
972it [2:52:29, 10.66s/it]
973it [2:52:40, 10.64s/it]
974it [2:52:50, 10.66s/it]
975it [2:53:01, 10.64s/it]
976it [2:53:11, 10.62s/it]
977it [2:53:22, 10.61s/it]
978it [2:53:33, 10.59s/it]
979it [2:53:43, 10.57s/it]
980it [2:53:54, 10.57s/it]
981it [2:54:04, 10.59s/it]
982it [2:54:15, 10.64s/it]
983it [2:54:26, 10.70s/it]
984it [2:54:37, 10.67s/it]
985it [2:54:47, 10.65s/it]
986it [2:54:58, 10.63s/it]
987it [2:55:08, 10.60s/it]
988it [2:55:19, 10.60s/it]
989it [2:55:29, 10.59s/it]
990it [2:55:40, 10.59s/it]
991it [2:55:51, 10.56s/it]
992it [2:56:01, 10.57s/it]
993it [2:56:12, 10.55s/it]
994it [2:56:22, 10.54s/it]
995it [2:56:33, 10.57s/it]
996it [2:56:43, 10.58s/it]
997it [2:56:54, 10.55s/it]
998it [2:57:04, 10.54s/it]
999it [2:57:15, 10.54s/it]
1000it [2:57:25, 10.53s/it]
1000it [2:57:25, 10.65s/it]
Error counts:
	cyclic_id: 0
	cyclic_inchikey: 0
	cyclic_scaffold: 0
	cyclic_mwt: 0
	cyclic_clogp: 0
	cyclic_tpsa: 0
⏰ Completed process in 8:31:06.950920

0it [00:00, ?it/s]
1it [00:00,  4.17it/s]
2it [00:00,  6.15it/s]
3it [00:00,  7.35it/s]
4it [00:00,  8.11it/s]
5it [00:00,  8.61it/s]
6it [00:00,  8.88it/s]
7it [00:00,  9.11it/s]
8it [00:00,  9.25it/s]
9it [00:01,  9.35it/s]
10it [00:01,  9.39it/s]
11it [00:01,  9.43it/s]
12it [00:01,  9.46it/s]
13it [00:01,  9.50it/s]
14it [00:01,  9.46it/s]
15it [00:01,  9.48it/s]
16it [00:01,  9.53it/s]
17it [00:01,  9.54it/s]
18it [00:02,  9.55it/s]
19it [00:02,  9.53it/s]
20it [00:02,  9.53it/s]
21it [00:02,  9.56it/s]
22it [00:02,  9.56it/s]
23it [00:02,  9.55it/s]
24it [00:02,  9.55it/s]
25it [00:02,  9.55it/s]
26it [00:02,  9.54it/s]
27it [00:02,  9.55it/s]
28it [00:03,  9.52it/s]
29it [00:03,  9.53it/s]
30it [00:03,  9.58it/s]
31it [00:03,  9.55it/s]
32it [00:03,  9.55it/s]
33it [00:03,  9.53it/s]
34it [00:03,  9.52it/s]
35it [00:03,  9.55it/s]
36it [00:03,  9.55it/s]
37it [00:04,  9.58it/s]
38it [00:04,  9.52it/s]
39it [00:04,  9.51it/s]
40it [00:04,  9.49it/s]
41it [00:04,  9.51it/s]
42it [00:04,  9.52it/s]
43it [00:04,  9.53it/s]
44it [00:04,  9.53it/s]
45it [00:04,  9.52it/s]
46it [00:04,  9.52it/s]
47it [00:05,  9.55it/s]
48it [00:05,  9.59it/s]
49it [00:05,  9.54it/s]
50it [00:05,  9.54it/s]
51it [00:05,  9.54it/s]
52it [00:05,  9.55it/s]
53it [00:05,  9.53it/s]
54it [00:05,  9.51it/s]
55it [00:05,  9.50it/s]
56it [00:06,  9.50it/s]
57it [00:06,  9.52it/s]
58it [00:06,  9.54it/s]
59it [00:06,  9.55it/s]
60it [00:06,  9.52it/s]
61it [00:06,  9.54it/s]
62it [00:06,  9.54it/s]
63it [00:06,  9.51it/s]
64it [00:06,  9.50it/s]
65it [00:06,  9.52it/s]
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Split counts:
	train: 674000
	test: 164000
	validation: 162000
⏰ Completed process in 8:32:54.045432
++ date
+ echo 'Sat  2 Nov 00:30:23 GMT 2024 :: 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-18000000-19000000.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-18000000-19000000.csv.gz
+ split_dir=20241101_peptides_6-12x100M/train
++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-18000000-19000000.csv.gz .csv.gz
+ split_file=20241101_peptides_6-12x100M/train/peptides_length-10_n-100000000_slice-18000000-19000000.csv.gz
+ mkdir -p 20241101_peptides_6-12x100M/train
++ date
+ echo 'Sat  2 Nov 00:30:23 GMT 2024 :: Saving train...'
Sat  2 Nov 00:30:23 GMT 2024 :: Saving train...
+ zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-18000000-19000000.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 00:31:21 GMT 2024 :: 20241101_peptides_6-12x100M/train/peptides_length-10_n-100000000_slice-18000000-19000000.csv.gz'
+ for split in train test validation
++ dirname 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-18000000-19000000.csv.gz
+ split_dir=20241101_peptides_6-12x100M/test
++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-18000000-19000000.csv.gz .csv.gz
+ split_file=20241101_peptides_6-12x100M/test/peptides_length-10_n-100000000_slice-18000000-19000000.csv.gz
+ mkdir -p 20241101_peptides_6-12x100M/test
++ date
+ echo 'Sat  2 Nov 00:31:21 GMT 2024 :: Saving test...'
Sat  2 Nov 00:31:21 GMT 2024 :: Saving test...
+ zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-18000000-19000000.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 00:31:46 GMT 2024 :: 20241101_peptides_6-12x100M/test/peptides_length-10_n-100000000_slice-18000000-19000000.csv.gz'
+ for split in train test validation
++ dirname 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-18000000-19000000.csv.gz
+ split_dir=20241101_peptides_6-12x100M/validation
++ basename 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-18000000-19000000.csv.gz .csv.gz
+ split_file=20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-18000000-19000000.csv.gz
+ mkdir -p 20241101_peptides_6-12x100M/validation
++ date
+ echo 'Sat  2 Nov 00:31:46 GMT 2024 :: Saving validation...'
Sat  2 Nov 00:31:46 GMT 2024 :: Saving validation...
+ zcat 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-18000000-19000000.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 00:32:12 GMT 2024 :: 20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-18000000-19000000.csv.gz'
+ '[' -e 20241101_peptides_6-12x100M/validation/peptides_length-10_n-100000000_slice-18000000-19000000.csv.gz.success ']'
+ rm 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-18000000-19000000.csv.gz 20241101_peptides_6-12x100M/peptides_length-10_n-100000000_slice-18000000-19000000.csv.gz.success
+ set +x
Sat  2 Nov 00:32:12 GMT 2024 > Peptide generation complete