[2024-07-24 18:09:24,042::evaluate::INFO] Load generated data done! 10 examples in total.
[2024-07-24 18:09:41,712::evaluate::INFO] Evaluate done! 1000 samples in total.
[2024-07-24 18:09:41,712::evaluate::INFO] mol_stable:	0.4310
[2024-07-24 18:09:41,712::evaluate::INFO] atm_stable:	0.9510
[2024-07-24 18:09:41,712::evaluate::INFO] recon_success:	0.9940
[2024-07-24 18:09:41,713::evaluate::INFO] eval_success:	0.0000
[2024-07-24 18:09:41,713::evaluate::INFO] complete:	0.9510
[2024-07-24 18:09:41,713::evaluate::INFO] JS bond distances of complete mols: 
[2024-07-24 18:09:41,713::evaluate::INFO] JSD_6-6|4:	None
[2024-07-24 18:09:41,713::evaluate::INFO] JSD_6-6|1:	None
[2024-07-24 18:09:41,713::evaluate::INFO] JSD_6-8|1:	None
[2024-07-24 18:09:41,713::evaluate::INFO] JSD_6-7|1:	None
[2024-07-24 18:09:41,713::evaluate::INFO] JSD_6-8|2:	None
[2024-07-24 18:09:41,713::evaluate::INFO] JSD_6-6|2:	None
[2024-07-24 18:09:41,713::evaluate::INFO] JSD_6-7|4:	None
[2024-07-24 18:09:41,713::evaluate::INFO] JSD_6-7|2:	None
[2024-07-24 18:09:41,714::evaluate::INFO] JSD_CC_2A:	nan
[2024-07-24 18:09:41,714::evaluate::INFO] JSD_All_12A:	nan
[2024-07-24 18:10:24,548::evaluate::INFO] Load generated data done! 10 examples in total.
[2024-07-24 18:10:41,515::evaluate::INFO] Evaluate done! 1000 samples in total.
[2024-07-24 18:10:41,515::evaluate::INFO] mol_stable:	0.4310
[2024-07-24 18:10:41,515::evaluate::INFO] atm_stable:	0.9510
[2024-07-24 18:10:41,515::evaluate::INFO] recon_success:	0.9940
[2024-07-24 18:10:41,515::evaluate::INFO] eval_success:	0.9510
[2024-07-24 18:10:41,515::evaluate::INFO] complete:	0.9510
[2024-07-24 18:10:41,541::evaluate::INFO] JS bond distances of complete mols: 
[2024-07-24 18:10:41,541::evaluate::INFO] JSD_6-6|4:	0.1393
[2024-07-24 18:10:41,541::evaluate::INFO] JSD_6-6|1:	0.3679
[2024-07-24 18:10:41,542::evaluate::INFO] JSD_6-8|1:	0.2759
[2024-07-24 18:10:41,542::evaluate::INFO] JSD_6-7|1:	0.2498
[2024-07-24 18:10:41,542::evaluate::INFO] JSD_6-8|2:	0.3718
[2024-07-24 18:10:41,542::evaluate::INFO] JSD_6-6|2:	0.1902
[2024-07-24 18:10:41,542::evaluate::INFO] JSD_6-7|4:	0.2044
[2024-07-24 18:10:41,542::evaluate::INFO] JSD_6-7|2:	0.2174
[2024-07-24 18:10:41,807::evaluate::INFO] JSD_CC_2A:	0.2115
[2024-07-24 18:10:41,808::evaluate::INFO] JSD_All_12A:	0.0564
[2024-07-24 18:10:41,808::evaluate::INFO] Atom type JS: 0.1116
[2024-07-24 18:10:42,040::evaluate::INFO] Number of reconstructed mols: 994, complete mols: 951, evaluated mols: 951
[2024-07-24 18:10:42,041::evaluate::INFO] QED:   Mean: 0.575 Median: 0.600
[2024-07-24 18:10:42,042::evaluate::INFO] SA:    Mean: 0.571 Median: 0.580
[2024-07-24 18:10:42,042::evaluate::INFO] ring size: 3 ratio: 0.000
[2024-07-24 18:10:42,042::evaluate::INFO] ring size: 4 ratio: 0.033
[2024-07-24 18:10:42,042::evaluate::INFO] ring size: 5 ratio: 0.605
[2024-07-24 18:10:42,042::evaluate::INFO] ring size: 6 ratio: 0.836
[2024-07-24 18:10:42,042::evaluate::INFO] ring size: 7 ratio: 0.391
[2024-07-24 18:10:42,043::evaluate::INFO] ring size: 8 ratio: 0.088
[2024-07-24 18:10:42,043::evaluate::INFO] ring size: 9 ratio: 0.047
[2024-07-24 23:06:16,114::evaluate::INFO] Load generated data done! 16 examples in total.
[2024-07-24 23:06:41,317::evaluate::INFO] Evaluate done! 1600 samples in total.
[2024-07-24 23:06:41,317::evaluate::INFO] mol_stable:	0.4238
[2024-07-24 23:06:41,317::evaluate::INFO] atm_stable:	0.9469
[2024-07-24 23:06:41,317::evaluate::INFO] recon_success:	0.9956
[2024-07-24 23:06:41,317::evaluate::INFO] eval_success:	0.9531
[2024-07-24 23:06:41,318::evaluate::INFO] complete:	0.9531
[2024-07-24 23:06:41,349::evaluate::INFO] JS bond distances of complete mols: 
[2024-07-24 23:06:41,350::evaluate::INFO] JSD_6-6|4:	0.1369
[2024-07-24 23:06:41,350::evaluate::INFO] JSD_6-6|1:	0.3779
[2024-07-24 23:06:41,350::evaluate::INFO] JSD_6-8|1:	0.2640
[2024-07-24 23:06:41,350::evaluate::INFO] JSD_6-7|1:	0.2448
[2024-07-24 23:06:41,350::evaluate::INFO] JSD_6-8|2:	0.3733
[2024-07-24 23:06:41,350::evaluate::INFO] JSD_6-6|2:	0.1935
[2024-07-24 23:06:41,350::evaluate::INFO] JSD_6-7|4:	0.1863
[2024-07-24 23:06:41,350::evaluate::INFO] JSD_6-7|2:	0.2031
[2024-07-24 23:06:41,707::evaluate::INFO] JSD_CC_2A:	0.2251
[2024-07-24 23:06:41,707::evaluate::INFO] JSD_All_12A:	0.0604
[2024-07-24 23:06:41,707::evaluate::INFO] Atom type JS: 0.1027
[2024-07-24 23:06:41,931::evaluate::INFO] Number of reconstructed mols: 1593, complete mols: 1525, evaluated mols: 1525
[2024-07-24 23:06:41,933::evaluate::INFO] QED:   Mean: 0.571 Median: 0.592
[2024-07-24 23:06:41,933::evaluate::INFO] SA:    Mean: 0.574 Median: 0.580
[2024-07-24 23:06:41,933::evaluate::INFO] ring size: 3 ratio: 0.000
[2024-07-24 23:06:41,934::evaluate::INFO] ring size: 4 ratio: 0.033
[2024-07-24 23:06:41,934::evaluate::INFO] ring size: 5 ratio: 0.628
[2024-07-24 23:06:41,934::evaluate::INFO] ring size: 6 ratio: 0.812
[2024-07-24 23:06:41,934::evaluate::INFO] ring size: 7 ratio: 0.381
[2024-07-24 23:06:41,934::evaluate::INFO] ring size: 8 ratio: 0.085
[2024-07-24 23:06:41,935::evaluate::INFO] ring size: 9 ratio: 0.043
[2024-07-25 11:07:54,844::evaluate::INFO] Load generated data done! 29 examples in total.
[2024-07-25 11:08:43,671::evaluate::INFO] Evaluate done! 2900 samples in total.
[2024-07-25 11:08:43,671::evaluate::INFO] mol_stable:	0.4341
[2024-07-25 11:08:43,672::evaluate::INFO] atm_stable:	0.9497
[2024-07-25 11:08:43,672::evaluate::INFO] recon_success:	0.9955
[2024-07-25 11:08:43,672::evaluate::INFO] eval_success:	0.9434
[2024-07-25 11:08:43,672::evaluate::INFO] complete:	0.9434
[2024-07-25 11:08:43,729::evaluate::INFO] JS bond distances of complete mols: 
[2024-07-25 11:08:43,729::evaluate::INFO] JSD_6-6|4:	0.1336
[2024-07-25 11:08:43,729::evaluate::INFO] JSD_6-6|1:	0.3771
[2024-07-25 11:08:43,729::evaluate::INFO] JSD_6-8|1:	0.2628
[2024-07-25 11:08:43,729::evaluate::INFO] JSD_6-7|1:	0.2481
[2024-07-25 11:08:43,729::evaluate::INFO] JSD_6-8|2:	0.3836
[2024-07-25 11:08:43,729::evaluate::INFO] JSD_6-6|2:	0.1900
[2024-07-25 11:08:43,729::evaluate::INFO] JSD_6-7|4:	0.1737
[2024-07-25 11:08:43,729::evaluate::INFO] JSD_6-7|2:	0.2092
[2024-07-25 11:08:44,433::evaluate::INFO] JSD_CC_2A:	0.2215
[2024-07-25 11:08:44,433::evaluate::INFO] JSD_All_12A:	0.0551
[2024-07-25 11:08:44,433::evaluate::INFO] Atom type JS: 0.1060
[2024-07-25 11:08:44,642::evaluate::INFO] Number of reconstructed mols: 2887, complete mols: 2736, evaluated mols: 2736
[2024-07-25 11:08:44,645::evaluate::INFO] QED:   Mean: 0.560 Median: 0.583
[2024-07-25 11:08:44,646::evaluate::INFO] SA:    Mean: 0.567 Median: 0.570
[2024-07-25 11:08:44,646::evaluate::INFO] ring size: 3 ratio: 0.000
[2024-07-25 11:08:44,647::evaluate::INFO] ring size: 4 ratio: 0.032
[2024-07-25 11:08:44,647::evaluate::INFO] ring size: 5 ratio: 0.608
[2024-07-25 11:08:44,647::evaluate::INFO] ring size: 6 ratio: 0.819
[2024-07-25 11:08:44,647::evaluate::INFO] ring size: 7 ratio: 0.388
[2024-07-25 11:08:44,648::evaluate::INFO] ring size: 8 ratio: 0.092
[2024-07-25 11:08:44,648::evaluate::INFO] ring size: 9 ratio: 0.049
[2024-07-25 17:35:58,258::evaluate::INFO] Load generated data done! 36 examples in total.
[2024-07-25 17:36:55,124::evaluate::INFO] Evaluate done! 3600 samples in total.
[2024-07-25 17:36:55,124::evaluate::INFO] mol_stable:	0.4497
[2024-07-25 17:36:55,125::evaluate::INFO] atm_stable:	0.9501
[2024-07-25 17:36:55,125::evaluate::INFO] recon_success:	0.9961
[2024-07-25 17:36:55,125::evaluate::INFO] eval_success:	0.9456
[2024-07-25 17:36:55,125::evaluate::INFO] complete:	0.9456
[2024-07-25 17:36:55,198::evaluate::INFO] JS bond distances of complete mols: 
[2024-07-25 17:36:55,198::evaluate::INFO] JSD_6-6|4:	0.1335
[2024-07-25 17:36:55,199::evaluate::INFO] JSD_6-6|1:	0.3771
[2024-07-25 17:36:55,199::evaluate::INFO] JSD_6-8|1:	0.2618
[2024-07-25 17:36:55,199::evaluate::INFO] JSD_6-7|1:	0.2506
[2024-07-25 17:36:55,199::evaluate::INFO] JSD_6-8|2:	0.3873
[2024-07-25 17:36:55,199::evaluate::INFO] JSD_6-6|2:	0.1901
[2024-07-25 17:36:55,199::evaluate::INFO] JSD_6-7|4:	0.1743
[2024-07-25 17:36:55,199::evaluate::INFO] JSD_6-7|2:	0.2119
[2024-07-25 17:36:56,042::evaluate::INFO] JSD_CC_2A:	0.2222
[2024-07-25 17:36:56,042::evaluate::INFO] JSD_All_12A:	0.0535
[2024-07-25 17:36:56,042::evaluate::INFO] Atom type JS: 0.1015
[2024-07-25 17:36:56,246::evaluate::INFO] Number of reconstructed mols: 3586, complete mols: 3404, evaluated mols: 3404
[2024-07-25 17:36:56,249::evaluate::INFO] QED:   Mean: 0.552 Median: 0.569
[2024-07-25 17:36:56,249::evaluate::INFO] SA:    Mean: 0.571 Median: 0.570
[2024-07-25 17:36:56,251::evaluate::INFO] ring size: 3 ratio: 0.000
[2024-07-25 17:36:56,251::evaluate::INFO] ring size: 4 ratio: 0.031
[2024-07-25 17:36:56,251::evaluate::INFO] ring size: 5 ratio: 0.586
[2024-07-25 17:36:56,251::evaluate::INFO] ring size: 6 ratio: 0.783
[2024-07-25 17:36:56,252::evaluate::INFO] ring size: 7 ratio: 0.369
[2024-07-25 17:36:56,252::evaluate::INFO] ring size: 8 ratio: 0.090
[2024-07-25 17:36:56,252::evaluate::INFO] ring size: 9 ratio: 0.049
[2024-07-25 18:31:41,031::evaluate::INFO] Load generated data done! 37 examples in total.
[2024-07-25 18:32:41,486::evaluate::INFO] Evaluate done! 3700 samples in total.
[2024-07-25 18:32:41,486::evaluate::INFO] mol_stable:	0.4562
[2024-07-25 18:32:41,486::evaluate::INFO] atm_stable:	0.9510
[2024-07-25 18:32:41,486::evaluate::INFO] recon_success:	0.9959
[2024-07-25 18:32:41,486::evaluate::INFO] eval_success:	0.9422
[2024-07-25 18:32:41,486::evaluate::INFO] complete:	0.9422
[2024-07-25 18:32:41,561::evaluate::INFO] JS bond distances of complete mols: 
[2024-07-25 18:32:41,561::evaluate::INFO] JSD_6-6|4:	0.1328
[2024-07-25 18:32:41,561::evaluate::INFO] JSD_6-6|1:	0.3724
[2024-07-25 18:32:41,561::evaluate::INFO] JSD_6-8|1:	0.2618
[2024-07-25 18:32:41,561::evaluate::INFO] JSD_6-7|1:	0.2481
[2024-07-25 18:32:41,561::evaluate::INFO] JSD_6-8|2:	0.3889
[2024-07-25 18:32:41,561::evaluate::INFO] JSD_6-6|2:	0.1904
[2024-07-25 18:32:41,561::evaluate::INFO] JSD_6-7|4:	0.1726
[2024-07-25 18:32:41,561::evaluate::INFO] JSD_6-7|2:	0.2133
[2024-07-25 18:32:42,435::evaluate::INFO] JSD_CC_2A:	0.2204
[2024-07-25 18:32:42,435::evaluate::INFO] JSD_All_12A:	0.0551
[2024-07-25 18:32:42,435::evaluate::INFO] Atom type JS: 0.1018
[2024-07-25 18:32:42,642::evaluate::INFO] Number of reconstructed mols: 3685, complete mols: 3486, evaluated mols: 3486
[2024-07-25 18:32:42,646::evaluate::INFO] QED:   Mean: 0.550 Median: 0.566
[2024-07-25 18:32:42,646::evaluate::INFO] SA:    Mean: 0.571 Median: 0.570
[2024-07-25 18:32:42,647::evaluate::INFO] ring size: 3 ratio: 0.000
[2024-07-25 18:32:42,648::evaluate::INFO] ring size: 4 ratio: 0.032
[2024-07-25 18:32:42,648::evaluate::INFO] ring size: 5 ratio: 0.584
[2024-07-25 18:32:42,648::evaluate::INFO] ring size: 6 ratio: 0.780
[2024-07-25 18:32:42,649::evaluate::INFO] ring size: 7 ratio: 0.367
[2024-07-25 18:32:42,649::evaluate::INFO] ring size: 8 ratio: 0.089
[2024-07-25 18:32:42,649::evaluate::INFO] ring size: 9 ratio: 0.048
[2024-07-25 21:15:09,163::evaluate::INFO] Load generated data done! 40 examples in total.
[2024-07-25 21:16:11,054::evaluate::INFO] Evaluate done! 4000 samples in total.
[2024-07-25 21:16:11,054::evaluate::INFO] mol_stable:	0.4530
[2024-07-25 21:16:11,054::evaluate::INFO] atm_stable:	0.9505
[2024-07-25 21:16:11,054::evaluate::INFO] recon_success:	0.9960
[2024-07-25 21:16:11,054::evaluate::INFO] eval_success:	0.9447
[2024-07-25 21:16:11,054::evaluate::INFO] complete:	0.9447
[2024-07-25 21:16:11,131::evaluate::INFO] JS bond distances of complete mols: 
[2024-07-25 21:16:11,131::evaluate::INFO] JSD_6-6|4:	0.1321
[2024-07-25 21:16:11,131::evaluate::INFO] JSD_6-6|1:	0.3731
[2024-07-25 21:16:11,131::evaluate::INFO] JSD_6-8|1:	0.2621
[2024-07-25 21:16:11,131::evaluate::INFO] JSD_6-7|1:	0.2476
[2024-07-25 21:16:11,131::evaluate::INFO] JSD_6-8|2:	0.3849
[2024-07-25 21:16:11,132::evaluate::INFO] JSD_6-6|2:	0.1923
[2024-07-25 21:16:11,132::evaluate::INFO] JSD_6-7|4:	0.1645
[2024-07-25 21:16:11,132::evaluate::INFO] JSD_6-7|2:	0.2119
[2024-07-25 21:16:12,061::evaluate::INFO] JSD_CC_2A:	0.2216
[2024-07-25 21:16:12,061::evaluate::INFO] JSD_All_12A:	0.0575
[2024-07-25 21:16:12,061::evaluate::INFO] Atom type JS: 0.1034
[2024-07-25 21:16:12,266::evaluate::INFO] Number of reconstructed mols: 3984, complete mols: 3779, evaluated mols: 3779
[2024-07-25 21:16:12,269::evaluate::INFO] QED:   Mean: 0.552 Median: 0.568
[2024-07-25 21:16:12,270::evaluate::INFO] SA:    Mean: 0.569 Median: 0.570
[2024-07-25 21:16:12,271::evaluate::INFO] ring size: 3 ratio: 0.000
[2024-07-25 21:16:12,271::evaluate::INFO] ring size: 4 ratio: 0.031
[2024-07-25 21:16:12,272::evaluate::INFO] ring size: 5 ratio: 0.593
[2024-07-25 21:16:12,272::evaluate::INFO] ring size: 6 ratio: 0.782
[2024-07-25 21:16:12,272::evaluate::INFO] ring size: 7 ratio: 0.367
[2024-07-25 21:16:12,272::evaluate::INFO] ring size: 8 ratio: 0.089
[2024-07-25 21:16:12,273::evaluate::INFO] ring size: 9 ratio: 0.049
[2024-07-25 22:36:32,029::evaluate::INFO] Load generated data done! 41 examples in total.
[2024-07-25 22:37:35,680::evaluate::INFO] Evaluate done! 4100 samples in total.
[2024-07-25 22:37:35,680::evaluate::INFO] mol_stable:	0.4600
[2024-07-25 22:37:35,680::evaluate::INFO] atm_stable:	0.9509
[2024-07-25 22:37:35,680::evaluate::INFO] recon_success:	0.9961
[2024-07-25 22:37:35,680::evaluate::INFO] eval_success:	0.9449
[2024-07-25 22:37:35,680::evaluate::INFO] complete:	0.9449
[2024-07-25 22:37:35,757::evaluate::INFO] JS bond distances of complete mols: 
[2024-07-25 22:37:35,757::evaluate::INFO] JSD_6-6|4:	0.1311
[2024-07-25 22:37:35,757::evaluate::INFO] JSD_6-6|1:	0.3720
[2024-07-25 22:37:35,757::evaluate::INFO] JSD_6-8|1:	0.2623
[2024-07-25 22:37:35,757::evaluate::INFO] JSD_6-7|1:	0.2460
[2024-07-25 22:37:35,757::evaluate::INFO] JSD_6-8|2:	0.3860
[2024-07-25 22:37:35,757::evaluate::INFO] JSD_6-6|2:	0.1925
[2024-07-25 22:37:35,757::evaluate::INFO] JSD_6-7|4:	0.1636
[2024-07-25 22:37:35,757::evaluate::INFO] JSD_6-7|2:	0.2116
[2024-07-25 22:37:36,698::evaluate::INFO] JSD_CC_2A:	0.2213
[2024-07-25 22:37:36,698::evaluate::INFO] JSD_All_12A:	0.0584
[2024-07-25 22:37:36,698::evaluate::INFO] Atom type JS: 0.1031
[2024-07-25 22:37:36,909::evaluate::INFO] Number of reconstructed mols: 4084, complete mols: 3874, evaluated mols: 3874
[2024-07-25 22:37:36,912::evaluate::INFO] QED:   Mean: 0.552 Median: 0.569
[2024-07-25 22:37:36,913::evaluate::INFO] SA:    Mean: 0.570 Median: 0.570
[2024-07-25 22:37:36,914::evaluate::INFO] ring size: 3 ratio: 0.000
[2024-07-25 22:37:36,914::evaluate::INFO] ring size: 4 ratio: 0.033
[2024-07-25 22:37:36,915::evaluate::INFO] ring size: 5 ratio: 0.591
[2024-07-25 22:37:36,915::evaluate::INFO] ring size: 6 ratio: 0.780
[2024-07-25 22:37:36,915::evaluate::INFO] ring size: 7 ratio: 0.368
[2024-07-25 22:37:36,916::evaluate::INFO] ring size: 8 ratio: 0.089
[2024-07-25 22:37:36,916::evaluate::INFO] ring size: 9 ratio: 0.050
[2024-07-25 23:28:37,119::evaluate::INFO] Load generated data done! 42 examples in total.
[2024-07-25 23:29:42,969::evaluate::INFO] Evaluate done! 4200 samples in total.
[2024-07-25 23:29:42,970::evaluate::INFO] mol_stable:	0.4562
[2024-07-25 23:29:42,970::evaluate::INFO] atm_stable:	0.9505
[2024-07-25 23:29:42,970::evaluate::INFO] recon_success:	0.9962
[2024-07-25 23:29:42,970::evaluate::INFO] eval_success:	0.9457
[2024-07-25 23:29:42,970::evaluate::INFO] complete:	0.9457
[2024-07-25 23:29:43,048::evaluate::INFO] JS bond distances of complete mols: 
[2024-07-25 23:29:43,048::evaluate::INFO] JSD_6-6|4:	0.1314
[2024-07-25 23:29:43,049::evaluate::INFO] JSD_6-6|1:	0.3736
[2024-07-25 23:29:43,049::evaluate::INFO] JSD_6-8|1:	0.2624
[2024-07-25 23:29:43,049::evaluate::INFO] JSD_6-7|1:	0.2478
[2024-07-25 23:29:43,049::evaluate::INFO] JSD_6-8|2:	0.3849
[2024-07-25 23:29:43,049::evaluate::INFO] JSD_6-6|2:	0.1924
[2024-07-25 23:29:43,049::evaluate::INFO] JSD_6-7|4:	0.1666
[2024-07-25 23:29:43,049::evaluate::INFO] JSD_6-7|2:	0.2121
[2024-07-25 23:29:44,022::evaluate::INFO] JSD_CC_2A:	0.2223
[2024-07-25 23:29:44,023::evaluate::INFO] JSD_All_12A:	0.0566
[2024-07-25 23:29:44,023::evaluate::INFO] Atom type JS: 0.1043
[2024-07-25 23:29:44,242::evaluate::INFO] Number of reconstructed mols: 4184, complete mols: 3972, evaluated mols: 3972
[2024-07-25 23:29:44,245::evaluate::INFO] QED:   Mean: 0.552 Median: 0.567
[2024-07-25 23:29:44,246::evaluate::INFO] SA:    Mean: 0.566 Median: 0.570
[2024-07-25 23:29:44,247::evaluate::INFO] ring size: 3 ratio: 0.000
[2024-07-25 23:29:44,247::evaluate::INFO] ring size: 4 ratio: 0.033
[2024-07-25 23:29:44,248::evaluate::INFO] ring size: 5 ratio: 0.595
[2024-07-25 23:29:44,248::evaluate::INFO] ring size: 6 ratio: 0.784
[2024-07-25 23:29:44,248::evaluate::INFO] ring size: 7 ratio: 0.375
[2024-07-25 23:29:44,249::evaluate::INFO] ring size: 8 ratio: 0.093
[2024-07-25 23:29:44,249::evaluate::INFO] ring size: 9 ratio: 0.051
[2024-07-26 06:29:00,514::evaluate::INFO] Load generated data done! 50 examples in total.
[2024-07-26 06:30:17,620::evaluate::INFO] Evaluate done! 5000 samples in total.
[2024-07-26 06:30:17,620::evaluate::INFO] mol_stable:	0.4448
[2024-07-26 06:30:17,620::evaluate::INFO] atm_stable:	0.9477
[2024-07-26 06:30:17,620::evaluate::INFO] recon_success:	0.9936
[2024-07-26 06:30:17,620::evaluate::INFO] eval_success:	0.9332
[2024-07-26 06:30:17,620::evaluate::INFO] complete:	0.9332
[2024-07-26 06:30:17,708::evaluate::INFO] JS bond distances of complete mols: 
[2024-07-26 06:30:17,708::evaluate::INFO] JSD_6-6|4:	0.1297
[2024-07-26 06:30:17,708::evaluate::INFO] JSD_6-6|1:	0.3746
[2024-07-26 06:30:17,708::evaluate::INFO] JSD_6-8|1:	0.2624
[2024-07-26 06:30:17,708::evaluate::INFO] JSD_6-7|1:	0.2482
[2024-07-26 06:30:17,708::evaluate::INFO] JSD_6-8|2:	0.3868
[2024-07-26 06:30:17,708::evaluate::INFO] JSD_6-6|2:	0.1913
[2024-07-26 06:30:17,708::evaluate::INFO] JSD_6-7|4:	0.1621
[2024-07-26 06:30:17,708::evaluate::INFO] JSD_6-7|2:	0.2066
[2024-07-26 06:30:18,830::evaluate::INFO] JSD_CC_2A:	0.2231
[2024-07-26 06:30:18,831::evaluate::INFO] JSD_All_12A:	0.0540
[2024-07-26 06:30:18,831::evaluate::INFO] Atom type JS: 0.1002
[2024-07-26 06:30:19,052::evaluate::INFO] Number of reconstructed mols: 4968, complete mols: 4666, evaluated mols: 4666
[2024-07-26 06:30:19,056::evaluate::INFO] QED:   Mean: 0.549 Median: 0.567
[2024-07-26 06:30:19,057::evaluate::INFO] SA:    Mean: 0.568 Median: 0.570
[2024-07-26 06:30:19,058::evaluate::INFO] ring size: 3 ratio: 0.000
[2024-07-26 06:30:19,058::evaluate::INFO] ring size: 4 ratio: 0.031
[2024-07-26 06:30:19,059::evaluate::INFO] ring size: 5 ratio: 0.590
[2024-07-26 06:30:19,059::evaluate::INFO] ring size: 6 ratio: 0.788
[2024-07-26 06:30:19,060::evaluate::INFO] ring size: 7 ratio: 0.381
[2024-07-26 06:30:19,060::evaluate::INFO] ring size: 8 ratio: 0.093
[2024-07-26 06:30:19,060::evaluate::INFO] ring size: 9 ratio: 0.051
[2024-07-26 09:53:36,728::evaluate::INFO] Load generated data done! 54 examples in total.
[2024-07-26 09:55:01,753::evaluate::INFO] Evaluate done! 5400 samples in total.
[2024-07-26 09:55:01,753::evaluate::INFO] mol_stable:	0.4507
[2024-07-26 09:55:01,753::evaluate::INFO] atm_stable:	0.9489
[2024-07-26 09:55:01,753::evaluate::INFO] recon_success:	0.9939
[2024-07-26 09:55:01,753::evaluate::INFO] eval_success:	0.9357
[2024-07-26 09:55:01,753::evaluate::INFO] complete:	0.9357
[2024-07-26 09:55:01,850::evaluate::INFO] JS bond distances of complete mols: 
[2024-07-26 09:55:01,850::evaluate::INFO] JSD_6-6|4:	0.1295
[2024-07-26 09:55:01,851::evaluate::INFO] JSD_6-6|1:	0.3684
[2024-07-26 09:55:01,851::evaluate::INFO] JSD_6-8|1:	0.2614
[2024-07-26 09:55:01,851::evaluate::INFO] JSD_6-7|1:	0.2468
[2024-07-26 09:55:01,851::evaluate::INFO] JSD_6-8|2:	0.3825
[2024-07-26 09:55:01,851::evaluate::INFO] JSD_6-6|2:	0.1936
[2024-07-26 09:55:01,851::evaluate::INFO] JSD_6-7|4:	0.1625
[2024-07-26 09:55:01,851::evaluate::INFO] JSD_6-7|2:	0.2082
[2024-07-26 09:55:03,119::evaluate::INFO] JSD_CC_2A:	0.2211
[2024-07-26 09:55:03,120::evaluate::INFO] JSD_All_12A:	0.0571
[2024-07-26 09:55:03,120::evaluate::INFO] Atom type JS: 0.0993
[2024-07-26 09:55:03,347::evaluate::INFO] Number of reconstructed mols: 5367, complete mols: 5053, evaluated mols: 5053
[2024-07-26 09:55:03,353::evaluate::INFO] QED:   Mean: 0.544 Median: 0.562
[2024-07-26 09:55:03,354::evaluate::INFO] SA:    Mean: 0.563 Median: 0.570
[2024-07-26 09:55:03,355::evaluate::INFO] ring size: 3 ratio: 0.000
[2024-07-26 09:55:03,356::evaluate::INFO] ring size: 4 ratio: 0.031
[2024-07-26 09:55:03,356::evaluate::INFO] ring size: 5 ratio: 0.591
[2024-07-26 09:55:03,357::evaluate::INFO] ring size: 6 ratio: 0.785
[2024-07-26 09:55:03,357::evaluate::INFO] ring size: 7 ratio: 0.375
[2024-07-26 09:55:03,358::evaluate::INFO] ring size: 8 ratio: 0.091
[2024-07-26 09:55:03,358::evaluate::INFO] ring size: 9 ratio: 0.050
[2024-07-26 13:43:32,325::evaluate::INFO] Load generated data done! 58 examples in total.
[2024-07-26 13:45:04,032::evaluate::INFO] Evaluate done! 5800 samples in total.
[2024-07-26 13:45:04,032::evaluate::INFO] mol_stable:	0.4617
[2024-07-26 13:45:04,032::evaluate::INFO] atm_stable:	0.9500
[2024-07-26 13:45:04,032::evaluate::INFO] recon_success:	0.9936
[2024-07-26 13:45:04,032::evaluate::INFO] eval_success:	0.9362
[2024-07-26 13:45:04,032::evaluate::INFO] complete:	0.9362
[2024-07-26 13:45:04,135::evaluate::INFO] JS bond distances of complete mols: 
[2024-07-26 13:45:04,136::evaluate::INFO] JSD_6-6|4:	0.1299
[2024-07-26 13:45:04,136::evaluate::INFO] JSD_6-6|1:	0.3660
[2024-07-26 13:45:04,136::evaluate::INFO] JSD_6-8|1:	0.2604
[2024-07-26 13:45:04,136::evaluate::INFO] JSD_6-7|1:	0.2455
[2024-07-26 13:45:04,136::evaluate::INFO] JSD_6-8|2:	0.3813
[2024-07-26 13:45:04,136::evaluate::INFO] JSD_6-6|2:	0.1937
[2024-07-26 13:45:04,136::evaluate::INFO] JSD_6-7|4:	0.1622
[2024-07-26 13:45:04,136::evaluate::INFO] JSD_6-7|2:	0.2112
[2024-07-26 13:45:05,455::evaluate::INFO] JSD_CC_2A:	0.2202
[2024-07-26 13:45:05,455::evaluate::INFO] JSD_All_12A:	0.0614
[2024-07-26 13:45:05,455::evaluate::INFO] Atom type JS: 0.1009
[2024-07-26 13:45:05,656::evaluate::INFO] Number of reconstructed mols: 5763, complete mols: 5430, evaluated mols: 5430
[2024-07-26 13:45:05,661::evaluate::INFO] QED:   Mean: 0.541 Median: 0.556
[2024-07-26 13:45:05,662::evaluate::INFO] SA:    Mean: 0.566 Median: 0.570
[2024-07-26 13:45:05,663::evaluate::INFO] ring size: 3 ratio: 0.000
[2024-07-26 13:45:05,664::evaluate::INFO] ring size: 4 ratio: 0.030
[2024-07-26 13:45:05,664::evaluate::INFO] ring size: 5 ratio: 0.578
[2024-07-26 13:45:05,665::evaluate::INFO] ring size: 6 ratio: 0.779
[2024-07-26 13:45:05,665::evaluate::INFO] ring size: 7 ratio: 0.367
[2024-07-26 13:45:05,665::evaluate::INFO] ring size: 8 ratio: 0.087
[2024-07-26 13:45:05,666::evaluate::INFO] ring size: 9 ratio: 0.048
[2024-07-26 16:05:55,233::evaluate::INFO] Load generated data done! 60 examples in total.
[2024-07-26 16:07:30,612::evaluate::INFO] Evaluate done! 6000 samples in total.
[2024-07-26 16:07:30,612::evaluate::INFO] mol_stable:	0.4562
[2024-07-26 16:07:30,613::evaluate::INFO] atm_stable:	0.9496
[2024-07-26 16:07:30,613::evaluate::INFO] recon_success:	0.9937
[2024-07-26 16:07:30,613::evaluate::INFO] eval_success:	0.9370
[2024-07-26 16:07:30,613::evaluate::INFO] complete:	0.9370
[2024-07-26 16:07:30,721::evaluate::INFO] JS bond distances of complete mols: 
[2024-07-26 16:07:30,721::evaluate::INFO] JSD_6-6|4:	0.1306
[2024-07-26 16:07:30,721::evaluate::INFO] JSD_6-6|1:	0.3684
[2024-07-26 16:07:30,721::evaluate::INFO] JSD_6-8|1:	0.2610
[2024-07-26 16:07:30,721::evaluate::INFO] JSD_6-7|1:	0.2455
[2024-07-26 16:07:30,721::evaluate::INFO] JSD_6-8|2:	0.3790
[2024-07-26 16:07:30,721::evaluate::INFO] JSD_6-6|2:	0.1938
[2024-07-26 16:07:30,721::evaluate::INFO] JSD_6-7|4:	0.1609
[2024-07-26 16:07:30,721::evaluate::INFO] JSD_6-7|2:	0.2100
[2024-07-26 16:07:32,103::evaluate::INFO] JSD_CC_2A:	0.2212
[2024-07-26 16:07:32,103::evaluate::INFO] JSD_All_12A:	0.0600
[2024-07-26 16:07:32,103::evaluate::INFO] Atom type JS: 0.1002
[2024-07-26 16:07:32,318::evaluate::INFO] Number of reconstructed mols: 5962, complete mols: 5622, evaluated mols: 5622
[2024-07-26 16:07:32,324::evaluate::INFO] QED:   Mean: 0.539 Median: 0.553
[2024-07-26 16:07:32,325::evaluate::INFO] SA:    Mean: 0.566 Median: 0.570
[2024-07-26 16:07:32,326::evaluate::INFO] ring size: 3 ratio: 0.000
[2024-07-26 16:07:32,326::evaluate::INFO] ring size: 4 ratio: 0.030
[2024-07-26 16:07:32,327::evaluate::INFO] ring size: 5 ratio: 0.579
[2024-07-26 16:07:32,328::evaluate::INFO] ring size: 6 ratio: 0.781
[2024-07-26 16:07:32,328::evaluate::INFO] ring size: 7 ratio: 0.370
[2024-07-26 16:07:32,328::evaluate::INFO] ring size: 8 ratio: 0.088
[2024-07-26 16:07:32,329::evaluate::INFO] ring size: 9 ratio: 0.047
[2024-07-26 21:01:05,555::evaluate::INFO] Load generated data done! 67 examples in total.
[2024-07-26 21:02:49,051::evaluate::INFO] Evaluate done! 6700 samples in total.
[2024-07-26 21:02:49,051::evaluate::INFO] mol_stable:	0.4652
[2024-07-26 21:02:49,051::evaluate::INFO] atm_stable:	0.9500
[2024-07-26 21:02:49,051::evaluate::INFO] recon_success:	0.9939
[2024-07-26 21:02:49,052::evaluate::INFO] eval_success:	0.9319
[2024-07-26 21:02:49,052::evaluate::INFO] complete:	0.9319
[2024-07-26 21:02:49,177::evaluate::INFO] JS bond distances of complete mols: 
[2024-07-26 21:02:49,177::evaluate::INFO] JSD_6-6|4:	0.1313
[2024-07-26 21:02:49,177::evaluate::INFO] JSD_6-6|1:	0.3699
[2024-07-26 21:02:49,177::evaluate::INFO] JSD_6-8|1:	0.2601
[2024-07-26 21:02:49,177::evaluate::INFO] JSD_6-7|1:	0.2457
[2024-07-26 21:02:49,177::evaluate::INFO] JSD_6-8|2:	0.3831
[2024-07-26 21:02:49,177::evaluate::INFO] JSD_6-6|2:	0.1935
[2024-07-26 21:02:49,177::evaluate::INFO] JSD_6-7|4:	0.1593
[2024-07-26 21:02:49,177::evaluate::INFO] JSD_6-7|2:	0.2085
[2024-07-26 21:02:50,710::evaluate::INFO] JSD_CC_2A:	0.2229
[2024-07-26 21:02:50,710::evaluate::INFO] JSD_All_12A:	0.0593
[2024-07-26 21:02:50,710::evaluate::INFO] Atom type JS: 0.0970
[2024-07-26 21:02:50,937::evaluate::INFO] Number of reconstructed mols: 6659, complete mols: 6244, evaluated mols: 6244
[2024-07-26 21:02:50,943::evaluate::INFO] QED:   Mean: 0.539 Median: 0.552
[2024-07-26 21:02:50,944::evaluate::INFO] SA:    Mean: 0.570 Median: 0.570
[2024-07-26 21:02:50,945::evaluate::INFO] ring size: 3 ratio: 0.000
[2024-07-26 21:02:50,946::evaluate::INFO] ring size: 4 ratio: 0.028
[2024-07-26 21:02:50,946::evaluate::INFO] ring size: 5 ratio: 0.574
[2024-07-26 21:02:50,947::evaluate::INFO] ring size: 6 ratio: 0.772
[2024-07-26 21:02:50,947::evaluate::INFO] ring size: 7 ratio: 0.364
[2024-07-26 21:02:50,948::evaluate::INFO] ring size: 8 ratio: 0.088
[2024-07-26 21:02:50,948::evaluate::INFO] ring size: 9 ratio: 0.046
[2024-07-26 22:41:38,510::evaluate::INFO] Load generated data done! 69 examples in total.
[2024-07-26 22:43:25,606::evaluate::INFO] Evaluate done! 6900 samples in total.
[2024-07-26 22:43:25,606::evaluate::INFO] mol_stable:	0.4639
[2024-07-26 22:43:25,606::evaluate::INFO] atm_stable:	0.9501
[2024-07-26 22:43:25,606::evaluate::INFO] recon_success:	0.9941
[2024-07-26 22:43:25,606::evaluate::INFO] eval_success:	0.9328
[2024-07-26 22:43:25,606::evaluate::INFO] complete:	0.9328
[2024-07-26 22:43:25,726::evaluate::INFO] JS bond distances of complete mols: 
[2024-07-26 22:43:25,726::evaluate::INFO] JSD_6-6|4:	0.1323
[2024-07-26 22:43:25,726::evaluate::INFO] JSD_6-6|1:	0.3690
[2024-07-26 22:43:25,726::evaluate::INFO] JSD_6-8|1:	0.2596
[2024-07-26 22:43:25,726::evaluate::INFO] JSD_6-7|1:	0.2451
[2024-07-26 22:43:25,726::evaluate::INFO] JSD_6-8|2:	0.3841
[2024-07-26 22:43:25,726::evaluate::INFO] JSD_6-6|2:	0.1941
[2024-07-26 22:43:25,726::evaluate::INFO] JSD_6-7|4:	0.1597
[2024-07-26 22:43:25,726::evaluate::INFO] JSD_6-7|2:	0.2101
[2024-07-26 22:43:27,265::evaluate::INFO] JSD_CC_2A:	0.2228
[2024-07-26 22:43:27,266::evaluate::INFO] JSD_All_12A:	0.0601
[2024-07-26 22:43:27,266::evaluate::INFO] Atom type JS: 0.0942
[2024-07-26 22:43:27,473::evaluate::INFO] Number of reconstructed mols: 6859, complete mols: 6436, evaluated mols: 6436
[2024-07-26 22:43:27,478::evaluate::INFO] QED:   Mean: 0.536 Median: 0.549
[2024-07-26 22:43:27,479::evaluate::INFO] SA:    Mean: 0.569 Median: 0.570
[2024-07-26 22:43:27,481::evaluate::INFO] ring size: 3 ratio: 0.000
[2024-07-26 22:43:27,481::evaluate::INFO] ring size: 4 ratio: 0.029
[2024-07-26 22:43:27,482::evaluate::INFO] ring size: 5 ratio: 0.573
[2024-07-26 22:43:27,483::evaluate::INFO] ring size: 6 ratio: 0.770
[2024-07-26 22:43:27,483::evaluate::INFO] ring size: 7 ratio: 0.363
[2024-07-26 22:43:27,484::evaluate::INFO] ring size: 8 ratio: 0.088
[2024-07-26 22:43:27,484::evaluate::INFO] ring size: 9 ratio: 0.046
[2024-07-27 10:41:35,391::evaluate::INFO] Load generated data done! 81 examples in total.
[2024-07-27 10:43:38,778::evaluate::INFO] Evaluate done! 8100 samples in total.
[2024-07-27 10:43:38,778::evaluate::INFO] mol_stable:	0.4570
[2024-07-27 10:43:38,778::evaluate::INFO] atm_stable:	0.9496
[2024-07-27 10:43:38,778::evaluate::INFO] recon_success:	0.9947
[2024-07-27 10:43:38,778::evaluate::INFO] eval_success:	0.9349
[2024-07-27 10:43:38,778::evaluate::INFO] complete:	0.9349
[2024-07-27 10:43:38,923::evaluate::INFO] JS bond distances of complete mols: 
[2024-07-27 10:43:38,923::evaluate::INFO] JSD_6-6|4:	0.1326
[2024-07-27 10:43:38,923::evaluate::INFO] JSD_6-6|1:	0.3726
[2024-07-27 10:43:38,923::evaluate::INFO] JSD_6-8|1:	0.2601
[2024-07-27 10:43:38,923::evaluate::INFO] JSD_6-7|1:	0.2462
[2024-07-27 10:43:38,923::evaluate::INFO] JSD_6-8|2:	0.3740
[2024-07-27 10:43:38,924::evaluate::INFO] JSD_6-6|2:	0.1894
[2024-07-27 10:43:38,924::evaluate::INFO] JSD_6-7|4:	0.1599
[2024-07-27 10:43:38,924::evaluate::INFO] JSD_6-7|2:	0.2083
[2024-07-27 10:43:40,758::evaluate::INFO] JSD_CC_2A:	0.2219
[2024-07-27 10:43:40,758::evaluate::INFO] JSD_All_12A:	0.0558
[2024-07-27 10:43:40,758::evaluate::INFO] Atom type JS: 0.0982
[2024-07-27 10:43:40,960::evaluate::INFO] Number of reconstructed mols: 8057, complete mols: 7573, evaluated mols: 7573
[2024-07-27 10:43:40,966::evaluate::INFO] QED:   Mean: 0.540 Median: 0.552
[2024-07-27 10:43:40,968::evaluate::INFO] SA:    Mean: 0.572 Median: 0.570
[2024-07-27 10:43:40,970::evaluate::INFO] ring size: 3 ratio: 0.000
[2024-07-27 10:43:40,970::evaluate::INFO] ring size: 4 ratio: 0.030
[2024-07-27 10:43:40,971::evaluate::INFO] ring size: 5 ratio: 0.574
[2024-07-27 10:43:40,972::evaluate::INFO] ring size: 6 ratio: 0.775
[2024-07-27 10:43:40,972::evaluate::INFO] ring size: 7 ratio: 0.371
[2024-07-27 10:43:40,973::evaluate::INFO] ring size: 8 ratio: 0.088
[2024-07-27 10:43:40,973::evaluate::INFO] ring size: 9 ratio: 0.045
[2024-07-27 15:24:22,854::evaluate::INFO] Load generated data done! 86 examples in total.
[2024-07-27 15:26:39,780::evaluate::INFO] Evaluate done! 8600 samples in total.
[2024-07-27 15:26:39,780::evaluate::INFO] mol_stable:	0.4626
[2024-07-27 15:26:39,780::evaluate::INFO] atm_stable:	0.9512
[2024-07-27 15:26:39,780::evaluate::INFO] recon_success:	0.9947
[2024-07-27 15:26:39,780::evaluate::INFO] eval_success:	0.9356
[2024-07-27 15:26:39,780::evaluate::INFO] complete:	0.9356
[2024-07-27 15:26:40,000::evaluate::INFO] JS bond distances of complete mols: 
[2024-07-27 15:26:40,000::evaluate::INFO] JSD_6-6|4:	0.1342
[2024-07-27 15:26:40,000::evaluate::INFO] JSD_6-6|1:	0.3681
[2024-07-27 15:26:40,000::evaluate::INFO] JSD_6-8|1:	0.2596
[2024-07-27 15:26:40,000::evaluate::INFO] JSD_6-7|1:	0.2452
[2024-07-27 15:26:40,000::evaluate::INFO] JSD_6-8|2:	0.3754
[2024-07-27 15:26:40,000::evaluate::INFO] JSD_6-6|2:	0.1887
[2024-07-27 15:26:40,000::evaluate::INFO] JSD_6-7|4:	0.1624
[2024-07-27 15:26:40,000::evaluate::INFO] JSD_6-7|2:	0.2096
[2024-07-27 15:26:42,188::evaluate::INFO] JSD_CC_2A:	0.2208
[2024-07-27 15:26:42,188::evaluate::INFO] JSD_All_12A:	0.0568
[2024-07-27 15:26:42,188::evaluate::INFO] Atom type JS: 0.0985
[2024-07-27 15:26:42,420::evaluate::INFO] Number of reconstructed mols: 8554, complete mols: 8046, evaluated mols: 8046
[2024-07-27 15:26:42,430::evaluate::INFO] QED:   Mean: 0.537 Median: 0.550
[2024-07-27 15:26:42,431::evaluate::INFO] SA:    Mean: 0.570 Median: 0.570
[2024-07-27 15:26:42,434::evaluate::INFO] ring size: 3 ratio: 0.000
[2024-07-27 15:26:42,435::evaluate::INFO] ring size: 4 ratio: 0.030
[2024-07-27 15:26:42,436::evaluate::INFO] ring size: 5 ratio: 0.573
[2024-07-27 15:26:42,437::evaluate::INFO] ring size: 6 ratio: 0.775
[2024-07-27 15:26:42,437::evaluate::INFO] ring size: 7 ratio: 0.370
[2024-07-27 15:26:42,438::evaluate::INFO] ring size: 8 ratio: 0.087
[2024-07-27 15:26:42,438::evaluate::INFO] ring size: 9 ratio: 0.045
[2024-07-27 20:16:19,478::evaluate::INFO] Load generated data done! 92 examples in total.
[2024-07-27 20:18:38,615::evaluate::INFO] Evaluate done! 9200 samples in total.
[2024-07-27 20:18:38,616::evaluate::INFO] mol_stable:	0.4626
[2024-07-27 20:18:38,616::evaluate::INFO] atm_stable:	0.9508
[2024-07-27 20:18:38,616::evaluate::INFO] recon_success:	0.9949
[2024-07-27 20:18:38,616::evaluate::INFO] eval_success:	0.9365
[2024-07-27 20:18:38,616::evaluate::INFO] complete:	0.9365
[2024-07-27 20:18:38,779::evaluate::INFO] JS bond distances of complete mols: 
[2024-07-27 20:18:38,779::evaluate::INFO] JSD_6-6|4:	0.1333
[2024-07-27 20:18:38,779::evaluate::INFO] JSD_6-6|1:	0.3681
[2024-07-27 20:18:38,779::evaluate::INFO] JSD_6-8|1:	0.2601
[2024-07-27 20:18:38,779::evaluate::INFO] JSD_6-7|1:	0.2450
[2024-07-27 20:18:38,779::evaluate::INFO] JSD_6-8|2:	0.3742
[2024-07-27 20:18:38,779::evaluate::INFO] JSD_6-6|2:	0.1886
[2024-07-27 20:18:38,779::evaluate::INFO] JSD_6-7|4:	0.1592
[2024-07-27 20:18:38,779::evaluate::INFO] JSD_6-7|2:	0.2061
[2024-07-27 20:18:40,798::evaluate::INFO] JSD_CC_2A:	0.2209
[2024-07-27 20:18:40,798::evaluate::INFO] JSD_All_12A:	0.0589
[2024-07-27 20:18:40,798::evaluate::INFO] Atom type JS: 0.0998
[2024-07-27 20:18:41,020::evaluate::INFO] Number of reconstructed mols: 9153, complete mols: 8616, evaluated mols: 8616
[2024-07-27 20:18:41,028::evaluate::INFO] QED:   Mean: 0.540 Median: 0.551
[2024-07-27 20:18:41,029::evaluate::INFO] SA:    Mean: 0.573 Median: 0.570
[2024-07-27 20:18:41,032::evaluate::INFO] ring size: 3 ratio: 0.000
[2024-07-27 20:18:41,033::evaluate::INFO] ring size: 4 ratio: 0.030
[2024-07-27 20:18:41,033::evaluate::INFO] ring size: 5 ratio: 0.574
[2024-07-27 20:18:41,034::evaluate::INFO] ring size: 6 ratio: 0.767
[2024-07-27 20:18:41,035::evaluate::INFO] ring size: 7 ratio: 0.366
[2024-07-27 20:18:41,035::evaluate::INFO] ring size: 8 ratio: 0.086
[2024-07-27 20:18:41,036::evaluate::INFO] ring size: 9 ratio: 0.045
[2024-07-27 21:55:06,180::evaluate::INFO] Load generated data done! 93 examples in total.
[2024-07-27 21:57:26,667::evaluate::INFO] Evaluate done! 9300 samples in total.
[2024-07-27 21:57:26,667::evaluate::INFO] mol_stable:	0.4625
[2024-07-27 21:57:26,667::evaluate::INFO] atm_stable:	0.9509
[2024-07-27 21:57:26,667::evaluate::INFO] recon_success:	0.9949
[2024-07-27 21:57:26,667::evaluate::INFO] eval_success:	0.9368
[2024-07-27 21:57:26,667::evaluate::INFO] complete:	0.9368
[2024-07-27 21:57:26,838::evaluate::INFO] JS bond distances of complete mols: 
[2024-07-27 21:57:26,838::evaluate::INFO] JSD_6-6|4:	0.1337
[2024-07-27 21:57:26,838::evaluate::INFO] JSD_6-6|1:	0.3665
[2024-07-27 21:57:26,838::evaluate::INFO] JSD_6-8|1:	0.2596
[2024-07-27 21:57:26,838::evaluate::INFO] JSD_6-7|1:	0.2446
[2024-07-27 21:57:26,838::evaluate::INFO] JSD_6-8|2:	0.3739
[2024-07-27 21:57:26,838::evaluate::INFO] JSD_6-6|2:	0.1898
[2024-07-27 21:57:26,838::evaluate::INFO] JSD_6-7|4:	0.1588
[2024-07-27 21:57:26,838::evaluate::INFO] JSD_6-7|2:	0.2060
[2024-07-27 21:57:28,952::evaluate::INFO] JSD_CC_2A:	0.2201
[2024-07-27 21:57:28,952::evaluate::INFO] JSD_All_12A:	0.0597
[2024-07-27 21:57:28,952::evaluate::INFO] Atom type JS: 0.1001
[2024-07-27 21:57:29,154::evaluate::INFO] Number of reconstructed mols: 9253, complete mols: 8712, evaluated mols: 8712
[2024-07-27 21:57:29,162::evaluate::INFO] QED:   Mean: 0.539 Median: 0.550
[2024-07-27 21:57:29,163::evaluate::INFO] SA:    Mean: 0.571 Median: 0.570
[2024-07-27 21:57:29,166::evaluate::INFO] ring size: 3 ratio: 0.000
[2024-07-27 21:57:29,167::evaluate::INFO] ring size: 4 ratio: 0.031
[2024-07-27 21:57:29,167::evaluate::INFO] ring size: 5 ratio: 0.574
[2024-07-27 21:57:29,168::evaluate::INFO] ring size: 6 ratio: 0.768
[2024-07-27 21:57:29,169::evaluate::INFO] ring size: 7 ratio: 0.365
[2024-07-27 21:57:29,170::evaluate::INFO] ring size: 8 ratio: 0.086
[2024-07-27 21:57:29,170::evaluate::INFO] ring size: 9 ratio: 0.045
[2024-07-27 22:37:19,179::evaluate::INFO] Load generated data done! 94 examples in total.
[2024-07-27 22:39:45,780::evaluate::INFO] Evaluate done! 9400 samples in total.
[2024-07-27 22:39:45,780::evaluate::INFO] mol_stable:	0.4629
[2024-07-27 22:39:45,780::evaluate::INFO] atm_stable:	0.9511
[2024-07-27 22:39:45,780::evaluate::INFO] recon_success:	0.9950
[2024-07-27 22:39:45,780::evaluate::INFO] eval_success:	0.9364
[2024-07-27 22:39:45,780::evaluate::INFO] complete:	0.9365
[2024-07-27 22:39:45,967::evaluate::INFO] JS bond distances of complete mols: 
[2024-07-27 22:39:45,967::evaluate::INFO] JSD_6-6|4:	0.1334
[2024-07-27 22:39:45,967::evaluate::INFO] JSD_6-6|1:	0.3661
[2024-07-27 22:39:45,967::evaluate::INFO] JSD_6-8|1:	0.2598
[2024-07-27 22:39:45,967::evaluate::INFO] JSD_6-7|1:	0.2445
[2024-07-27 22:39:45,967::evaluate::INFO] JSD_6-8|2:	0.3757
[2024-07-27 22:39:45,967::evaluate::INFO] JSD_6-6|2:	0.1903
[2024-07-27 22:39:45,967::evaluate::INFO] JSD_6-7|4:	0.1596
[2024-07-27 22:39:45,967::evaluate::INFO] JSD_6-7|2:	0.2067
[2024-07-27 22:39:48,129::evaluate::INFO] JSD_CC_2A:	0.2200
[2024-07-27 22:39:48,129::evaluate::INFO] JSD_All_12A:	0.0600
[2024-07-27 22:39:48,129::evaluate::INFO] Atom type JS: 0.0992
[2024-07-27 22:39:48,341::evaluate::INFO] Number of reconstructed mols: 9353, complete mols: 8803, evaluated mols: 8802
[2024-07-27 22:39:48,351::evaluate::INFO] QED:   Mean: 0.538 Median: 0.549
[2024-07-27 22:39:48,353::evaluate::INFO] SA:    Mean: 0.571 Median: 0.570
[2024-07-27 22:39:48,356::evaluate::INFO] ring size: 3 ratio: 0.000
[2024-07-27 22:39:48,357::evaluate::INFO] ring size: 4 ratio: 0.030
[2024-07-27 22:39:48,358::evaluate::INFO] ring size: 5 ratio: 0.572
[2024-07-27 22:39:48,359::evaluate::INFO] ring size: 6 ratio: 0.768
[2024-07-27 22:39:48,359::evaluate::INFO] ring size: 7 ratio: 0.364
[2024-07-27 22:39:48,360::evaluate::INFO] ring size: 8 ratio: 0.086
[2024-07-27 22:39:48,360::evaluate::INFO] ring size: 9 ratio: 0.044
[2024-07-27 23:47:22,525::evaluate::INFO] Load generated data done! 96 examples in total.
[2024-07-27 23:49:47,496::evaluate::INFO] Evaluate done! 9600 samples in total.
[2024-07-27 23:49:47,496::evaluate::INFO] mol_stable:	0.4669
[2024-07-27 23:49:47,496::evaluate::INFO] atm_stable:	0.9514
[2024-07-27 23:49:47,496::evaluate::INFO] recon_success:	0.9951
[2024-07-27 23:49:47,496::evaluate::INFO] eval_success:	0.9348
[2024-07-27 23:49:47,496::evaluate::INFO] complete:	0.9349
[2024-07-27 23:49:47,669::evaluate::INFO] JS bond distances of complete mols: 
[2024-07-27 23:49:47,670::evaluate::INFO] JSD_6-6|4:	0.1333
[2024-07-27 23:49:47,670::evaluate::INFO] JSD_6-6|1:	0.3646
[2024-07-27 23:49:47,670::evaluate::INFO] JSD_6-8|1:	0.2597
[2024-07-27 23:49:47,670::evaluate::INFO] JSD_6-7|1:	0.2440
[2024-07-27 23:49:47,670::evaluate::INFO] JSD_6-8|2:	0.3770
[2024-07-27 23:49:47,670::evaluate::INFO] JSD_6-6|2:	0.1902
[2024-07-27 23:49:47,670::evaluate::INFO] JSD_6-7|4:	0.1596
[2024-07-27 23:49:47,670::evaluate::INFO] JSD_6-7|2:	0.2066
[2024-07-27 23:49:49,791::evaluate::INFO] JSD_CC_2A:	0.2197
[2024-07-27 23:49:49,791::evaluate::INFO] JSD_All_12A:	0.0607
[2024-07-27 23:49:49,792::evaluate::INFO] Atom type JS: 0.0990
[2024-07-27 23:49:50,011::evaluate::INFO] Number of reconstructed mols: 9553, complete mols: 8975, evaluated mols: 8974
[2024-07-27 23:49:50,018::evaluate::INFO] QED:   Mean: 0.538 Median: 0.549
[2024-07-27 23:49:50,020::evaluate::INFO] SA:    Mean: 0.571 Median: 0.570
[2024-07-27 23:49:50,023::evaluate::INFO] ring size: 3 ratio: 0.000
[2024-07-27 23:49:50,024::evaluate::INFO] ring size: 4 ratio: 0.030
[2024-07-27 23:49:50,024::evaluate::INFO] ring size: 5 ratio: 0.571
[2024-07-27 23:49:50,025::evaluate::INFO] ring size: 6 ratio: 0.765
[2024-07-27 23:49:50,026::evaluate::INFO] ring size: 7 ratio: 0.362
[2024-07-27 23:49:50,027::evaluate::INFO] ring size: 8 ratio: 0.085
[2024-07-27 23:49:50,027::evaluate::INFO] ring size: 9 ratio: 0.044
[2024-07-28 10:26:15,741::evaluate::INFO] Load generated data done! 100 examples in total.
[2024-07-28 10:28:45,196::evaluate::INFO] Evaluate done! 10000 samples in total.
[2024-07-28 10:28:45,197::evaluate::INFO] mol_stable:	0.4732
[2024-07-28 10:28:45,197::evaluate::INFO] atm_stable:	0.9518
[2024-07-28 10:28:45,197::evaluate::INFO] recon_success:	0.9951
[2024-07-28 10:28:45,197::evaluate::INFO] eval_success:	0.9367
[2024-07-28 10:28:45,197::evaluate::INFO] complete:	0.9368
[2024-07-28 10:28:45,463::evaluate::INFO] JS bond distances of complete mols: 
[2024-07-28 10:28:45,464::evaluate::INFO] JSD_6-6|4:	0.1331
[2024-07-28 10:28:45,464::evaluate::INFO] JSD_6-6|1:	0.3635
[2024-07-28 10:28:45,464::evaluate::INFO] JSD_6-8|1:	0.2593
[2024-07-28 10:28:45,464::evaluate::INFO] JSD_6-7|1:	0.2438
[2024-07-28 10:28:45,464::evaluate::INFO] JSD_6-8|2:	0.3765
[2024-07-28 10:28:45,464::evaluate::INFO] JSD_6-6|2:	0.1912
[2024-07-28 10:28:45,464::evaluate::INFO] JSD_6-7|4:	0.1581
[2024-07-28 10:28:45,464::evaluate::INFO] JSD_6-7|2:	0.2086
[2024-07-28 10:28:47,977::evaluate::INFO] JSD_CC_2A:	0.2195
[2024-07-28 10:28:47,977::evaluate::INFO] JSD_All_12A:	0.0617
[2024-07-28 10:28:47,977::evaluate::INFO] Atom type JS: 0.0991
[2024-07-28 10:28:48,211::evaluate::INFO] Number of reconstructed mols: 9951, complete mols: 9368, evaluated mols: 9367
[2024-07-28 10:28:48,226::evaluate::INFO] QED:   Mean: 0.539 Median: 0.550
[2024-07-28 10:28:48,228::evaluate::INFO] SA:    Mean: 0.573 Median: 0.570
[2024-07-28 10:28:48,232::evaluate::INFO] ring size: 3 ratio: 0.000
[2024-07-28 10:28:48,233::evaluate::INFO] ring size: 4 ratio: 0.031
[2024-07-28 10:28:48,233::evaluate::INFO] ring size: 5 ratio: 0.568
[2024-07-28 10:28:48,234::evaluate::INFO] ring size: 6 ratio: 0.757
[2024-07-28 10:28:48,235::evaluate::INFO] ring size: 7 ratio: 0.358
[2024-07-28 10:28:48,236::evaluate::INFO] ring size: 8 ratio: 0.084
[2024-07-28 10:28:48,236::evaluate::INFO] ring size: 9 ratio: 0.044
[2024-07-28 10:30:22,202::evaluate::INFO] Load generated data done! 100 examples in total.
[2024-07-28 10:33:00,261::evaluate::INFO] Evaluate done! 10000 samples in total.
[2024-07-28 10:33:00,261::evaluate::INFO] mol_stable:	0.4732
[2024-07-28 10:33:00,261::evaluate::INFO] atm_stable:	0.9518
[2024-07-28 10:33:00,261::evaluate::INFO] recon_success:	0.9951
[2024-07-28 10:33:00,261::evaluate::INFO] eval_success:	0.0000
[2024-07-28 10:33:00,261::evaluate::INFO] complete:	0.9368
[2024-07-28 10:33:00,261::evaluate::INFO] JS bond distances of complete mols: 
[2024-07-28 10:33:00,261::evaluate::INFO] JSD_6-6|4:	None
[2024-07-28 10:33:00,261::evaluate::INFO] JSD_6-6|1:	None
[2024-07-28 10:33:00,262::evaluate::INFO] JSD_6-8|1:	None
[2024-07-28 10:33:00,262::evaluate::INFO] JSD_6-7|1:	None
[2024-07-28 10:33:00,262::evaluate::INFO] JSD_6-8|2:	None
[2024-07-28 10:33:00,262::evaluate::INFO] JSD_6-6|2:	None
[2024-07-28 10:33:00,262::evaluate::INFO] JSD_6-7|4:	None
[2024-07-28 10:33:00,262::evaluate::INFO] JSD_6-7|2:	None
[2024-07-28 10:33:00,263::evaluate::INFO] JSD_CC_2A:	nan
[2024-07-28 10:33:00,263::evaluate::INFO] JSD_All_12A:	nan
[2024-07-28 10:33:47,267::evaluate::INFO] Load generated data done! 100 examples in total.
[2024-07-28 10:42:50,504::evaluate::INFO] Load generated data done! 100 examples in total.
[2024-07-28 10:52:48,182::evaluate::INFO] Load generated data done! 100 examples in total.
[2024-07-28 11:00:18,975::evaluate::INFO] Load generated data done! 100 examples in total.
[2024-07-28 11:02:56,800::evaluate::INFO] Evaluate done! 10000 samples in total.
[2024-07-28 11:02:56,800::evaluate::INFO] mol_stable:	0.4732
[2024-07-28 11:02:56,800::evaluate::INFO] atm_stable:	0.9518
[2024-07-28 11:02:56,800::evaluate::INFO] recon_success:	0.9951
[2024-07-28 11:02:56,800::evaluate::INFO] eval_success:	0.0000
[2024-07-28 11:02:56,800::evaluate::INFO] complete:	0.9368
[2024-07-28 11:02:56,800::evaluate::INFO] JS bond distances of complete mols: 
[2024-07-28 11:02:56,800::evaluate::INFO] JSD_6-6|4:	None
[2024-07-28 11:02:56,800::evaluate::INFO] JSD_6-6|1:	None
[2024-07-28 11:02:56,800::evaluate::INFO] JSD_6-8|1:	None
[2024-07-28 11:02:56,800::evaluate::INFO] JSD_6-7|1:	None
[2024-07-28 11:02:56,800::evaluate::INFO] JSD_6-8|2:	None
[2024-07-28 11:02:56,800::evaluate::INFO] JSD_6-6|2:	None
[2024-07-28 11:02:56,801::evaluate::INFO] JSD_6-7|4:	None
[2024-07-28 11:02:56,801::evaluate::INFO] JSD_6-7|2:	None
[2024-07-28 11:02:56,801::evaluate::INFO] JSD_CC_2A:	nan
[2024-07-28 11:02:56,802::evaluate::INFO] JSD_All_12A:	nan
[2024-07-28 11:12:49,985::evaluate::INFO] Load generated data done! 100 examples in total.
[2024-07-28 11:15:20,409::evaluate::INFO] Evaluate done! 10000 samples in total.
[2024-07-28 11:15:20,409::evaluate::INFO] mol_stable:	0.4732
[2024-07-28 11:15:20,409::evaluate::INFO] atm_stable:	0.9518
[2024-07-28 11:15:20,409::evaluate::INFO] recon_success:	0.9951
[2024-07-28 11:15:20,409::evaluate::INFO] eval_success:	0.9367
[2024-07-28 11:15:20,409::evaluate::INFO] complete:	0.9368
[2024-07-28 11:15:20,607::evaluate::INFO] JS bond distances of complete mols: 
[2024-07-28 11:15:20,607::evaluate::INFO] JSD_6-6|4:	0.1331
[2024-07-28 11:15:20,607::evaluate::INFO] JSD_6-6|1:	0.3635
[2024-07-28 11:15:20,607::evaluate::INFO] JSD_6-8|1:	0.2593
[2024-07-28 11:15:20,607::evaluate::INFO] JSD_6-7|1:	0.2438
[2024-07-28 11:15:20,607::evaluate::INFO] JSD_6-8|2:	0.3765
[2024-07-28 11:15:20,607::evaluate::INFO] JSD_6-6|2:	0.1912
[2024-07-28 11:15:20,608::evaluate::INFO] JSD_6-7|4:	0.1581
[2024-07-28 11:15:20,608::evaluate::INFO] JSD_6-7|2:	0.2086
[2024-07-28 11:15:22,850::evaluate::INFO] JSD_CC_2A:	0.2195
[2024-07-28 11:15:22,850::evaluate::INFO] JSD_All_12A:	0.0617
[2024-07-28 11:15:22,851::evaluate::INFO] Atom type JS: 0.0991
[2024-07-28 11:15:23,055::evaluate::INFO] Number of reconstructed mols: 9951, complete mols: 9368, evaluated mols: 9367
[2024-07-28 11:15:23,065::evaluate::INFO] QED:   Mean: 0.539 Median: 0.550
[2024-07-28 11:15:23,067::evaluate::INFO] SA:    Mean: 0.573 Median: 0.570
[2024-07-28 11:15:23,070::evaluate::INFO] ring size: 3 ratio: 0.000
[2024-07-28 11:15:23,071::evaluate::INFO] ring size: 4 ratio: 0.031
[2024-07-28 11:15:23,072::evaluate::INFO] ring size: 5 ratio: 0.568
[2024-07-28 11:15:23,073::evaluate::INFO] ring size: 6 ratio: 0.757
[2024-07-28 11:15:23,073::evaluate::INFO] ring size: 7 ratio: 0.358
[2024-07-28 11:15:23,074::evaluate::INFO] ring size: 8 ratio: 0.084
[2024-07-28 11:15:23,075::evaluate::INFO] ring size: 9 ratio: 0.044
[2024-07-28 11:19:36,356::evaluate::INFO] Load generated data done! 100 examples in total.
[2024-07-28 11:22:13,648::evaluate::INFO] Evaluate done! 10000 samples in total.
[2024-07-28 11:22:13,649::evaluate::INFO] mol_stable:	0.4732
[2024-07-28 11:22:13,649::evaluate::INFO] atm_stable:	0.9518
[2024-07-28 11:22:13,649::evaluate::INFO] recon_success:	0.9951
[2024-07-28 11:22:13,649::evaluate::INFO] eval_success:	0.0000
[2024-07-28 11:22:13,649::evaluate::INFO] complete:	0.9368
[2024-07-28 11:22:13,649::evaluate::INFO] JS bond distances of complete mols: 
[2024-07-28 11:22:13,649::evaluate::INFO] JSD_6-6|4:	None
[2024-07-28 11:22:13,649::evaluate::INFO] JSD_6-6|1:	None
[2024-07-28 11:22:13,649::evaluate::INFO] JSD_6-8|1:	None
[2024-07-28 11:22:13,649::evaluate::INFO] JSD_6-7|1:	None
[2024-07-28 11:22:13,649::evaluate::INFO] JSD_6-8|2:	None
[2024-07-28 11:22:13,649::evaluate::INFO] JSD_6-6|2:	None
[2024-07-28 11:22:13,649::evaluate::INFO] JSD_6-7|4:	None
[2024-07-28 11:22:13,649::evaluate::INFO] JSD_6-7|2:	None
[2024-07-28 11:22:13,650::evaluate::INFO] JSD_CC_2A:	nan
[2024-07-28 11:22:13,650::evaluate::INFO] JSD_All_12A:	nan
[2024-07-28 11:24:51,976::evaluate::INFO] Load generated data done! 100 examples in total.
[2024-07-28 15:30:17,764::evaluate::INFO] Evaluate done! 10000 samples in total.
[2024-07-28 15:30:17,764::evaluate::INFO] mol_stable:	0.4732
[2024-07-28 15:30:17,764::evaluate::INFO] atm_stable:	0.9518
[2024-07-28 15:30:17,764::evaluate::INFO] recon_success:	0.9951
[2024-07-28 15:30:17,765::evaluate::INFO] eval_success:	0.9367
[2024-07-28 15:30:17,765::evaluate::INFO] complete:	0.9368
[2024-07-28 15:30:17,996::evaluate::INFO] JS bond distances of complete mols: 
[2024-07-28 15:30:17,997::evaluate::INFO] JSD_6-6|4:	0.1331
[2024-07-28 15:30:17,997::evaluate::INFO] JSD_6-6|1:	0.3635
[2024-07-28 15:30:17,997::evaluate::INFO] JSD_6-8|1:	0.2593
[2024-07-28 15:30:17,997::evaluate::INFO] JSD_6-7|1:	0.2438
[2024-07-28 15:30:17,997::evaluate::INFO] JSD_6-8|2:	0.3765
[2024-07-28 15:30:17,997::evaluate::INFO] JSD_6-6|2:	0.1912
[2024-07-28 15:30:17,997::evaluate::INFO] JSD_6-7|4:	0.1581
[2024-07-28 15:30:17,997::evaluate::INFO] JSD_6-7|2:	0.2086
[2024-07-28 15:30:20,492::evaluate::INFO] JSD_CC_2A:	0.2195
[2024-07-28 15:30:20,492::evaluate::INFO] JSD_All_12A:	0.0617
[2024-07-28 15:30:20,492::evaluate::INFO] Atom type JS: 0.0991
[2024-07-28 15:30:20,699::evaluate::INFO] Number of reconstructed mols: 9951, complete mols: 9368, evaluated mols: 9367
[2024-07-28 15:30:20,713::evaluate::INFO] QED:   Mean: 0.539 Median: 0.550
[2024-07-28 15:30:20,715::evaluate::INFO] SA:    Mean: 0.573 Median: 0.570
[2024-07-28 15:30:20,734::evaluate::INFO] Vina Score:  Mean: -7.367 Median: -7.753
[2024-07-28 15:30:20,737::evaluate::INFO] Vina Min  :  Mean: -8.182 Median: -8.177
[2024-07-28 15:30:20,744::evaluate::INFO] ring size: 3 ratio: 0.000
[2024-07-28 15:30:20,745::evaluate::INFO] ring size: 4 ratio: 0.031
[2024-07-28 15:30:20,746::evaluate::INFO] ring size: 5 ratio: 0.568
[2024-07-28 15:30:20,747::evaluate::INFO] ring size: 6 ratio: 0.757
[2024-07-28 15:30:20,747::evaluate::INFO] ring size: 7 ratio: 0.358
[2024-07-28 15:30:20,748::evaluate::INFO] ring size: 8 ratio: 0.084
[2024-07-28 15:30:20,749::evaluate::INFO] ring size: 9 ratio: 0.044
[2024-07-28 16:48:58,410::evaluate::INFO] Load generated data done! 100 examples in total.
[2024-07-29 13:02:07,942::evaluate::INFO] Evaluate done! 10000 samples in total.
[2024-07-29 13:02:07,942::evaluate::INFO] mol_stable:	0.4732
[2024-07-29 13:02:07,942::evaluate::INFO] atm_stable:	0.9518
[2024-07-29 13:02:07,943::evaluate::INFO] recon_success:	0.9951
[2024-07-29 13:02:07,943::evaluate::INFO] eval_success:	0.9367
[2024-07-29 13:02:07,943::evaluate::INFO] complete:	0.9368
[2024-07-29 13:02:08,192::evaluate::INFO] JS bond distances of complete mols: 
[2024-07-29 13:02:08,192::evaluate::INFO] JSD_6-6|4:	0.1331
[2024-07-29 13:02:08,192::evaluate::INFO] JSD_6-6|1:	0.3635
[2024-07-29 13:02:08,192::evaluate::INFO] JSD_6-8|1:	0.2593
[2024-07-29 13:02:08,192::evaluate::INFO] JSD_6-7|1:	0.2438
[2024-07-29 13:02:08,192::evaluate::INFO] JSD_6-8|2:	0.3765
[2024-07-29 13:02:08,192::evaluate::INFO] JSD_6-6|2:	0.1912
[2024-07-29 13:02:08,192::evaluate::INFO] JSD_6-7|4:	0.1581
[2024-07-29 13:02:08,192::evaluate::INFO] JSD_6-7|2:	0.2086
[2024-07-29 13:02:10,844::evaluate::INFO] JSD_CC_2A:	0.2195
[2024-07-29 13:02:10,844::evaluate::INFO] JSD_All_12A:	0.0617
[2024-07-29 13:02:10,844::evaluate::INFO] Atom type JS: 0.0991
[2024-07-29 13:02:11,059::evaluate::INFO] Number of reconstructed mols: 9951, complete mols: 9368, evaluated mols: 9367
[2024-07-29 13:02:11,073::evaluate::INFO] QED:   Mean: 0.539 Median: 0.550
[2024-07-29 13:02:11,076::evaluate::INFO] SA:    Mean: 0.573 Median: 0.570
[2024-07-29 13:02:11,097::evaluate::INFO] Vina Score:  Mean: -7.367 Median: -7.753
[2024-07-29 13:02:11,099::evaluate::INFO] Vina Min  :  Mean: -8.182 Median: -8.177
[2024-07-29 13:02:11,110::evaluate::INFO] Vina Dock :  Mean: -8.771 Median: -8.720
[2024-07-29 13:02:11,117::evaluate::INFO] ring size: 3 ratio: 0.000
[2024-07-29 13:02:11,118::evaluate::INFO] ring size: 4 ratio: 0.031
[2024-07-29 13:02:11,119::evaluate::INFO] ring size: 5 ratio: 0.568
[2024-07-29 13:02:11,120::evaluate::INFO] ring size: 6 ratio: 0.757
[2024-07-29 13:02:11,121::evaluate::INFO] ring size: 7 ratio: 0.358
[2024-07-29 13:02:11,121::evaluate::INFO] ring size: 8 ratio: 0.084
[2024-07-29 13:02:11,122::evaluate::INFO] ring size: 9 ratio: 0.044
