Reginaib's workspace
Runs
100
Name
100 visualized
State
Notes
User
Tags
Created
Runtime
Sweep
accelerator
dataset_name
dr
dr2
freeze
hidden_dim_c
hidden_dim_d
hidden_dim_d_add
hidden_dim_t
input_dim
layer_to_d_encoder
lr
max_epochs
mode
n_hidden_layers
n_targets
patience
pre_trained_d_encoder_path
save_preds
Test/MAE
Test/MAELoss
Test/MSE
Test/R2
Test/RMSE
Train/MAE
Train/MAELoss
Train/MSE
Train/R2
Train/RMSE
Validation/MAE
Validation/MAELoss
Validation/MSE
Validation/R2
Validation/RMSE
epoch
trainer/global_step
Finished
reginaib
7m
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.3
0
false
1024
1024
0
256
1024
false
0.0001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.5488
0.5488
0.64646
0.74569
0.80403
0.42383
0.443
0.36055
0.86141
0.60046
0.55599
0.55599
0.66441
0.74266
0.81511
100
55000
Finished
reginaib
7m
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.4
0
false
512
1024
0
512
1024
false
0.0003
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.55768
0.55768
0.64905
0.74467
0.80563
0.46183
0.40217
0.42007
0.83853
0.64813
0.56761
0.56761
0.6737
0.73906
0.82079
100
55000
Finished
reginaib
6m 41s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.3
0
false
512
1024
0
512
1024
false
0.0003
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.53544
0.53544
0.6386
0.74878
0.79913
0.41614
0.48683
0.35216
0.86464
0.59343
0.55108
0.55108
0.68112
0.73619
0.8253
100
55000
Finished
reginaib
14m 23s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.1
0
false
1024
1024
0
768
1024
false
0.0003
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.53576
0.53576
0.63683
0.74948
0.79802
0.31597
0.32238
0.2384
0.90836
0.48826
0.55502
0.55502
0.6862
0.73422
0.82837
93
51150
Finished
reginaib
11m 20s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.2
0
false
256
1024
0
128
1024
false
0.0003
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.54932
0.54932
0.66483
0.73847
0.81537
0.4168
0.34526
0.3654
0.85955
0.60449
0.55946
0.55946
0.6903
0.73263
0.83084
100
55000
Finished
reginaib
6m 48s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.01
0
false
128
1024
0
512
1024
false
0.0003
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.5478
0.5478
0.6618
0.73965
0.81351
0.27535
0.31177
0.21966
0.91557
0.46868
0.55845
0.55845
0.69627
0.73032
0.83443
100
55000
Finished
reginaib
6m 43s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.1
0
false
256
1024
0
128
1024
false
0.001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.55427
0.55427
0.67161
0.7358
0.81952
0.35261
0.26161
0.29524
0.88651
0.54336
0.56177
0.56177
0.70381
0.7274
0.83893
100
55000
Finished
reginaib
6m 44s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.01
0
false
768
1024
0
128
1024
false
0.0001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.54868
0.54868
0.66693
0.73764
0.81666
0.24488
0.14241
0.19457
0.92521
0.4411
0.56534
0.56534
0.70921
0.72531
0.84214
100
55000
Finished
reginaib
6m 50s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.4
0
false
256
1024
0
256
1024
false
0.0003
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.59061
0.59061
0.71054
0.72048
0.84293
0.48922
0.39069
0.48267
0.81447
0.69474
0.59794
0.59794
0.72057
0.72091
0.84886
100
55000
Finished
reginaib
13m 13s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.1
0
false
512
1024
0
512
1024
false
0.00003
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.57109
0.57109
0.69968
0.72476
0.83647
0.40696
0.41437
0.35381
0.864
0.59482
0.5814
0.5814
0.72109
0.72071
0.84917
100
55000
Finished
reginaib
4m 12s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.01
0
false
1024
1024
0
512
1024
false
0.001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.56927
0.56927
0.67516
0.7344
0.82168
0.32717
0.23354
0.26373
0.89862
0.51355
0.58748
0.58748
0.72243
0.72019
0.84996
56
30800
Finished
reginaib
7m 29s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.01
0
false
1024
1024
0
1024
1024
false
0.001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.55717
0.55717
0.68656
0.72992
0.82859
0.30275
0.43432
0.24746
0.90488
0.49746
0.56904
0.56904
0.72431
0.71946
0.85106
100
55000
Finished
reginaib
6m 44s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.1
0
false
768
1024
0
512
1024
false
0.00003
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.56341
0.56341
0.69519
0.72652
0.83378
0.38323
0.47556
0.32364
0.8756
0.56889
0.57638
0.57638
0.72779
0.71811
0.8531
100
55000
Finished
reginaib
6m 46s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.3
0
false
1024
1024
0
256
1024
false
0.001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.5701
0.5701
0.70079
0.72432
0.83713
0.46226
0.4105
0.43857
0.83142
0.66225
0.58257
0.58257
0.73415
0.71565
0.85683
100
55000
Finished
reginaib
5m 52s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.01
0
false
128
1024
0
512
1024
false
0.001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.57359
0.57359
0.71673
0.71804
0.8466
0.32581
0.37915
0.28893
0.88894
0.53752
0.58353
0.58353
0.73543
0.71515
0.85757
89
48950
Finished
reginaib
6m 17s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.2
0
false
128
1024
0
768
1024
false
0.001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.56656
0.56656
0.69965
0.72477
0.83645
0.4301
0.46845
0.39871
0.84674
0.63143
0.58817
0.58817
0.74394
0.71186
0.86252
89
48950
Finished
reginaib
6m 38s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.2
0
false
128
1024
0
768
1024
false
0.0001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.59721
0.59721
0.73157
0.71221
0.85532
0.52623
0.58638
0.5194
0.80035
0.7207
0.6058
0.6058
0.74766
0.71042
0.86467
100
55000
Finished
reginaib
6m 48s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.01
0
false
64
1024
0
512
1024
false
0.0001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.58139
0.58139
0.72613
0.71435
0.85213
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0.34408
0.25774
0.90093
0.50768
0.58832
0.58832
0.74911
0.70985
0.86551
100
55000
Finished
reginaib
6m 42s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.4
0
false
256
1024
0
512
1024
false
0.0003
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.61216
0.61216
0.73532
0.71073
0.85751
0.48732
0.50873
0.48053
0.8153
0.6932
0.62001
0.62001
0.75241
0.70858
0.86742
100
55000
Finished
reginaib
6m 51s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.2
0
false
128
1024
0
512
1024
false
0.0001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.60003
0.60003
0.74323
0.70762
0.86211
0.54265
0.65716
0.55396
0.78706
0.74429
0.60895
0.60895
0.75681
0.70687
0.86995
100
55000
Finished
reginaib
6m 58s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.2
0
false
256
1024
0
64
1024
false
0.0001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.60051
0.60051
0.74303
0.7077
0.86199
0.48043
0.53063
0.45884
0.82363
0.67738
0.60848
0.60848
0.75766
0.70654
0.87044
100
55000
Finished
reginaib
10m 16s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.4
0
false
512
1024
0
256
1024
false
0.001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.6006
0.6006
0.74985
0.70502
0.86594
0.53423
0.49926
0.56456
0.78299
0.75137
0.60987
0.60987
0.75909
0.70599
0.87126
87
47850
Finished
reginaib
5m 31s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.4
0
false
512
1024
0
512
1024
false
0.001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.60122
0.60122
0.74456
0.7071
0.86288
0.54645
0.51678
0.58343
0.77574
0.76383
0.61441
0.61441
0.76137
0.7051
0.87257
80
44000
Finished
reginaib
16m 2s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.01
0
false
64
1024
0
512
1024
false
0.001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.58295
0.58295
0.73413
0.7112
0.85682
0.33329
0.31457
0.32544
0.87491
0.57047
0.59852
0.59852
0.76159
0.70502
0.87269
100
55000
Finished
reginaib
6m 43s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.2
0
false
128
1024
0
256
1024
false
0.0001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.60869
0.60869
0.75338
0.70363
0.86798
0.53451
0.61028
0.54231
0.79155
0.73642
0.61743
0.61743
0.76219
0.70479
0.87303
100
55000
Finished
reginaib
6m 11s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.4
0
false
512
1024
0
256
1024
false
0.001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.61063
0.61063
0.74646
0.70635
0.86398
0.53101
0.52812
0.56288
0.78364
0.75025
0.61994
0.61994
0.76262
0.70462
0.87328
91
50050
Finished
reginaib
4m 35s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.5
0
false
768
1024
0
768
1024
false
0.0003
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.62184
0.62184
0.75176
0.70427
0.86704
0.58563
0.51004
0.62298
0.76053
0.78929
0.62929
0.62929
0.76687
0.70297
0.87571
54
29700
Finished
reginaib
6m 48s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.4
0
false
768
1024
0
256
1024
false
0.001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.59483
0.59483
0.7337
0.71137
0.85656
0.53149
0.61896
0.56063
0.78451
0.74876
0.60815
0.60815
0.76794
0.70256
0.87632
100
55000
Finished
reginaib
6m 38s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.2
0
false
128
1024
0
256
1024
false
0.0001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.61028
0.61028
0.75376
0.70348
0.8682
0.53963
0.62903
0.54919
0.78891
0.74107
0.61735
0.61735
0.76951
0.70195
0.87722
100
55000
Finished
reginaib
6m 34s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.01
0
false
64
1024
0
64
1024
false
0.0001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.60344
0.60344
0.7676
0.69803
0.87613
0.34736
0.35842
0.31649
0.87835
0.56258
0.60848
0.60848
0.76953
0.70195
0.87723
100
55000
Finished
reginaib
6m 42s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.2
0
false
64
1024
0
128
1024
false
0.001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.60456
0.60456
0.7754
0.69497
0.88057
0.46655
0.464
0.47991
0.81553
0.69276
0.60786
0.60786
0.77523
0.69974
0.88047
100
55000
Finished
reginaib
6m 35s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.1
0
false
32
1024
0
512
1024
false
0.001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.59916
0.59916
0.76991
0.69713
0.87744
0.42918
0.50492
0.43049
0.83453
0.65612
0.60995
0.60995
0.77688
0.6991
0.88141
100
55000
Finished
reginaib
6m 49s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.3
0
false
32
1024
0
512
1024
false
0.0003
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.61146
0.61146
0.76553
0.69885
0.87494
0.5182
0.46669
0.54526
0.79041
0.73841
0.62133
0.62133
0.77816
0.6986
0.88213
100
55000
Finished
reginaib
6m 40s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.1
0
false
64
1024
0
512
1024
false
0.0003
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.59437
0.59437
0.74793
0.70577
0.86483
0.44657
0.37788
0.44029
0.83076
0.66354
0.61014
0.61014
0.7807
0.69762
0.88357
100
55000
Finished
reginaib
6m 47s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.2
0
false
64
1024
0
256
1024
false
0.001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.59944
0.59944
0.75826
0.70171
0.87078
0.47427
0.50844
0.4853
0.81346
0.69664
0.60831
0.60831
0.78627
0.69546
0.88672
100
55000
Finished
reginaib
6m 51s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.01
0
false
64
1024
0
128
1024
false
0.0003
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.59445
0.59445
0.76369
0.69957
0.87389
0.3497
0.36098
0.33876
0.86979
0.58203
0.60213
0.60213
0.78672
0.69529
0.88697
100
55000
Finished
reginaib
6m 46s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.5
0
false
768
1024
0
64
1024
false
0.0003
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.63718
0.63718
0.78131
0.69264
0.88392
0.52095
0.50775
0.54152
0.79185
0.73588
0.64563
0.64563
0.79117
0.69357
0.88947
100
55000
Finished
reginaib
6m 40s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.1
0
false
32
1024
0
512
1024
false
0.001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.6144
0.6144
0.79816
0.68601
0.8934
0.43261
0.24634
0.44206
0.83008
0.66488
0.61706
0.61706
0.79878
0.69062
0.89374
100
55000
Finished
reginaib
15m 35s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.1
0
false
128
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0
512
1024
false
0.00003
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.62459
0.62459
0.79806
0.68605
0.89334
0.51519
0.53572
0.52018
0.80005
0.72123
0.62523
0.62523
0.80178
0.68946
0.89542
100
55000
Finished
reginaib
4m 56s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.4
0
false
1024
1024
0
32
1024
false
0.001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.64988
0.64988
0.81714
0.67855
0.90396
0.58393
0.81773
0.66071
0.74603
0.81284
0.6554
0.6554
0.81705
0.68354
0.90391
70
38500
Finished
reginaib
7m
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.4
0
false
1024
1024
0
256
1024
false
0.00003
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.64737
0.64737
0.82773
0.67438
0.9098
0.59722
0.61086
0.65972
0.74642
0.81223
0.64708
0.64708
0.81716
0.6835
0.90397
100
55000
Finished
reginaib
6m 37s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.01
0
false
64
1024
0
64
1024
false
0.0003
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.6072
0.6072
0.80622
0.68284
0.8979
0.36403
0.32728
0.38336
0.85264
0.61916
0.61542
0.61542
0.81782
0.68324
0.90434
100
55000
Finished
reginaib
6m 44s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.2
0
false
768
1024
0
64
1024
false
0.00003
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.62918
0.62918
0.80834
0.68201
0.89908
0.51681
0.41017
0.53483
0.79442
0.73132
0.63822
0.63822
0.818
0.68317
0.90443
100
55000
Finished
reginaib
6m 54s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.01
0
false
64
1024
0
768
1024
false
0.00003
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.63239
0.63239
0.82501
0.67545
0.9083
0.38443
0.55068
0.36719
0.85886
0.60596
0.64331
0.64331
0.84573
0.67243
0.91964
100
55000
Finished
reginaib
5m 49s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.5
0
false
768
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0
128
1024
false
0.001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.66878
0.66878
0.84835
0.66627
0.92106
0.62122
0.68036
0.7288
0.71987
0.8537
0.68002
0.68002
0.86041
0.66675
0.92758
84
46200
Finished
reginaib
14m 18s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.4
0
false
32
1024
0
256
1024
false
0.0003
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.67863
0.67863
0.87195
0.65699
0.93378
0.57767
0.60648
0.65167
0.74951
0.80726
0.68382
0.68382
0.86161
0.66628
0.92823
100
55000
Finished
reginaib
7m 4s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.1
0
false
768
1024
0
256
1024
false
0.00001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.66711
0.66711
0.8756
0.65555
0.93574
0.54868
0.55635
0.604
0.76784
0.77717
0.66763
0.66763
0.86506
0.66495
0.93008
100
55000
Finished
reginaib
7m 44s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.1
0
false
768
1024
0
256
1024
false
0.00001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.66128
0.66128
0.86919
0.65807
0.9323
0.55033
0.58535
0.60776
0.76639
0.77959
0.66214
0.66214
0.86526
0.66487
0.9302
100
55000
Finished
reginaib
6m 50s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.4
0
false
768
1024
0
256
1024
false
0.00003
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.67829
0.67829
0.89043
0.64972
0.94363
0.62711
0.76274
0.71706
0.72438
0.84679
0.67522
0.67522
0.86853
0.6636
0.93195
100
55000
Finished
reginaib
6m 40s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.1
0
false
32
1024
0
128
1024
false
0.0001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.6549
0.6549
0.86526
0.65962
0.93019
0.61371
0.58739
0.7175
0.7242
0.84706
0.66352
0.66352
0.87058
0.66281
0.93305
100
55000
Finished
reginaib
6m 45s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.5
0
false
256
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0
128
1024
false
0.001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.68114
0.68114
0.87706
0.65497
0.93652
0.60831
0.55243
0.7143
0.72544
0.84516
0.68279
0.68279
0.87118
0.66257
0.93337
100
55000
Finished
reginaib
6m 35s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.4
0
false
64
1024
0
64
1024
false
0.0003
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.6713
0.6713
0.8835
0.65244
0.93995
0.56325
0.46681
0.64336
0.7527
0.8021
0.67779
0.67779
0.87259
0.66203
0.93412
98
53900
Finished
reginaib
5m 38s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.5
0
false
256
1024
0
1024
1024
false
0.001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.68907
0.68907
0.88791
0.65071
0.94229
0.65057
0.76717
0.78653
0.69766
0.88687
0.69169
0.69169
0.88659
0.65661
0.94159
79
43450
Finished
reginaib
7m 16s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.5
0
false
768
1024
0
1024
1024
false
0.00003
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.67824
0.67824
0.90173
0.64527
0.94959
0.68926
0.72881
0.83388
0.67947
0.91317
0.67921
0.67921
0.89212
0.65446
0.94452
100
55000
Finished
reginaib
7m 10s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.5
0
false
768
1024
0
64
1024
false
0.001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.67815
0.67815
0.89105
0.64947
0.94395
0.63066
0.63349
0.76554
0.70574
0.87495
0.68255
0.68255
0.90233
0.65051
0.94991
100
55000
Finished
reginaib
6m 45s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.01
0
false
768
1024
0
32
1024
false
0.00003
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.65382
0.65382
0.88421
0.65216
0.94032
0.36772
0.37666
0.36885
0.85822
0.60733
0.66924
0.66924
0.91524
0.64551
0.95668
100
55000
Finished
reginaib
6m 50s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.01
0
false
256
1024
0
64
1024
false
0.00003
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.65992
0.65992
0.90162
0.64531
0.94953
0.39177
0.33756
0.40611
0.84389
0.63727
0.67148
0.67148
0.92443
0.64195
0.96147
100
55000
Finished
reginaib
6m 46s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.01
0
false
64
1024
0
128
1024
false
0.00003
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.66453
0.66453
0.89783
0.6468
0.94754
0.42568
0.33132
0.44934
0.82728
0.67033
0.67713
0.67713
0.93035
0.63966
0.96454
100
55000
Finished
reginaib
6m 57s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.01
0
false
128
1024
0
768
1024
false
0.00001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.68342
0.68342
0.93543
0.63201
0.96718
0.44846
0.53002
0.49159
0.81104
0.70114
0.68896
0.68896
0.94379
0.63445
0.97149
100
55000
Finished
reginaib
6m 57s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.01
0
false
1024
1024
0
128
1024
false
0.00001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.68481
0.68481
0.94491
0.62829
0.97206
0.43049
0.46559
0.46629
0.82077
0.68285
0.69294
0.69294
0.96007
0.62815
0.97983
100
55000
Finished
reginaib
4m 35s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.5
0
false
32
1024
0
64
1024
false
0.001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.73577
0.73577
0.9525
0.6253
0.97596
0.6821
0.67598
0.84565
0.67494
0.91959
0.74322
0.74322
0.96303
0.627
0.98134
66
36300
Finished
reginaib
4m 13s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.5
0
false
64
1024
0
64
1024
false
0.001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.72502
0.72502
0.96867
0.61893
0.98421
0.66235
0.80896
0.80521
0.69049
0.89734
0.73152
0.73152
0.9673
0.62534
0.98352
58
31900
Finished
reginaib
6m 56s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.4
0
false
1024
1024
0
768
1024
false
0.00001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.71606
0.71606
0.98541
0.61235
0.99268
0.71507
0.6954
0.92129
0.64587
0.95984
0.71265
0.71265
0.97282
0.62321
0.98632
100
55000
Finished
reginaib
5m 49s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.5
0
false
512
1024
0
1024
1024
false
0.00003
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.72639
0.72639
0.99462
0.60873
0.99731
0.75434
0.74687
0.9914
0.61891
0.99569
0.72007
0.72007
0.9753
0.62225
0.98757
83
45650
Finished
reginaib
4m 10s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.5
0
false
512
1024
0
32
1024
false
0.001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.73743
0.73743
1.00221
0.60574
1.00111
0.69499
0.68241
0.89839
0.65467
0.94783
0.7353
0.7353
0.97677
0.62168
0.98832
55
30250
Finished
reginaib
10m 17s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.1
0
false
512
1024
0
128
1024
false
0.00001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.70968
0.70968
0.97225
0.61753
0.98603
0.62497
0.6838
0.74829
0.71237
0.86504
0.71617
0.71617
0.98048
0.62024
0.99019
100
55000
Finished
reginaib
6m 44s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.01
0
false
256
1024
0
256
1024
false
0.00001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.70337
0.70337
0.97979
0.61456
0.98984
0.46003
0.40522
0.51618
0.80159
0.71846
0.70861
0.70861
0.98754
0.61751
0.99375
100
55000
Finished
reginaib
6m 41s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.01
0
false
256
1024
0
256
1024
false
0.00001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.7012
0.7012
0.97716
0.6156
0.98851
0.46116
0.54073
0.51853
0.80069
0.72009
0.70984
0.70984
0.99705
0.61382
0.99852
100
55000
Finished
reginaib
6m 53s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.1
0
false
32
1024
0
768
1024
false
0.00001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.7456
0.7456
1.02628
0.59627
1.01305
0.77184
0.78967
1.0358
0.60186
1.01774
0.74791
0.74791
1.02135
0.60441
1.01062
100
55000
Finished
reginaib
5m 30s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.5
0
false
64
1024
0
256
1024
false
0.0003
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.75933
0.75933
1.04066
0.59062
1.02013
0.62996
0.59494
0.76596
0.70558
0.87519
0.76481
0.76481
1.03022
0.60098
1.015
77
42350
Finished
reginaib
6m 54s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.3
0
false
256
1024
0
1024
1024
false
0.00001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.76352
0.76352
1.06249
0.58203
1.03077
0.78974
0.92115
1.08091
0.58451
1.03967
0.75202
0.75202
1.03355
0.59969
1.01664
100
55000
Finished
reginaib
6m 14s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.01
0
false
32
1024
0
32
1024
false
0.001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.7154
0.7154
1.02352
0.59736
1.01169
0.51893
0.51152
0.64939
0.75039
0.80584
0.72852
0.72852
1.04485
0.59531
1.02218
50
27500
Finished
reginaib
6m 51s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.2
0
false
64
1024
0
1024
1024
false
0.00001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.78024
0.78024
1.08906
0.57158
1.04358
0.85962
0.7788
1.24656
0.52085
1.11649
0.77743
0.77743
1.07255
0.58458
1.03564
100
55000
Finished
reginaib
5m 28s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.1
0
false
32
1024
0
128
1024
false
0.00003
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.75179
0.75179
1.0505
0.58675
1.02494
0.77754
0.70354
1.05845
0.59316
1.02881
0.76729
0.76729
1.07784
0.58253
1.03819
80
44000
Finished
reginaib
6m 59s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.5
0
false
1024
1024
0
1024
1024
false
0.00001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.76187
0.76187
1.09419
0.56956
1.04604
0.79738
0.96388
1.11463
0.57155
1.05576
0.75699
0.75699
1.08459
0.57992
1.04144
100
55000
Finished
reginaib
6m 48s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.4
0
false
256
1024
0
256
1024
false
0.00003
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.81495
0.81495
1.16457
0.54187
1.07915
0.75744
0.68206
1.00191
0.61489
1.00095
0.8076
0.8076
1.12062
0.56596
1.05859
100
55000
Finished
reginaib
6m 39s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.2
0
false
128
1024
0
256
1024
false
0.00001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.80314
0.80314
1.14608
0.54915
1.07055
0.81451
1.15428
1.14223
0.56095
1.06875
0.80271
0.80271
1.12605
0.56386
1.06116
100
55000
Finished
reginaib
6m 16s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.3
0
false
128
1024
0
128
1024
false
0.00003
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.80744
0.80744
1.14579
0.54926
1.07042
0.79031
0.73319
1.08118
0.5844
1.0398
0.80675
0.80675
1.12663
0.56363
1.06143
94
51700
Finished
reginaib
3m 40s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.2
0
false
32
1024
0
32
1024
false
0.0001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.79738
0.79738
1.12881
0.55594
1.06245
0.85589
0.91443
1.25017
0.51947
1.11811
0.80982
0.80982
1.14407
0.55688
1.06961
48
26400
Finished
reginaib
9m 23s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.1
0
false
32
1024
0
128
1024
false
0.00001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.79235
0.79235
1.13423
0.55381
1.065
0.80717
0.71025
1.12826
0.56633
1.06219
0.80323
0.80323
1.1466
0.5559
1.0708
100
55000
Finished
reginaib
6m 36s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.3
0
false
512
1024
0
256
1024
false
0.00001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.81499
0.81499
1.17394
0.53818
1.08349
0.76651
0.78063
1.02869
0.60459
1.01424
0.80728
0.80728
1.15127
0.55409
1.07297
100
55000
Finished
reginaib
6m 49s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.5
0
false
128
1024
0
64
1024
false
0.0001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.82502
0.82502
1.19475
0.53
1.09304
0.73071
0.84251
0.96112
0.63057
0.98037
0.82181
0.82181
1.17013
0.54679
1.08172
100
55000
Finished
reginaib
7m 8s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.5
0
false
768
1024
0
768
1024
false
0.00001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.80759
0.80759
1.18998
0.53187
1.09086
0.84562
0.67286
1.24029
0.52325
1.11368
0.79801
0.79801
1.17231
0.54594
1.08273
100
55000
Finished
reginaib
6m 43s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.2
0
false
768
1024
0
32
1024
false
0.00001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.81859
0.81859
1.19654
0.52929
1.09387
0.74888
0.78556
1.00488
0.61374
1.00244
0.83062
0.83062
1.19934
0.53547
1.09514
100
55000
Finished
reginaib
6m 40s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.1
0
false
32
1024
0
32
1024
false
0.00001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.82708
0.82708
1.2227
0.51901
1.10576
0.85706
0.72993
1.25409
0.51794
1.11986
0.8407
0.8407
1.23855
0.52029
1.1129
100
55000
Finished
reginaib
6m 39s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.5
0
false
64
1024
0
64
1024
false
0.0001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.85837
0.85837
1.26323
0.50306
1.12393
0.78456
0.74395
1.09029
0.58093
1.04417
0.85918
0.85918
1.24174
0.51905
1.11433
100
55000
Finished
reginaib
12m 17s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.2
0
false
128
1024
0
32
1024
false
0.00001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.85128
0.85128
1.26556
0.50214
1.12497
0.85841
0.73349
1.24785
0.52036
1.11707
0.86232
0.86232
1.27582
0.50585
1.12952
100
55000
Finished
reginaib
6m 42s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.3
0
false
128
1024
0
256
1024
false
0.00001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.88368
0.88368
1.31528
0.48258
1.14686
0.9312
1.04821
1.44076
0.44619
1.20032
0.87831
0.87831
1.29762
0.49741
1.13913
100
55000
Finished
reginaib
6m 45s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.4
0
false
256
1024
0
32
1024
false
0.00003
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.88245
0.88245
1.32761
0.47773
1.15222
0.79749
0.82011
1.10578
0.57496
1.05156
0.8846
0.8846
1.30582
0.49423
1.14273
100
55000
Finished
reginaib
4m 43s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.3
0
false
64
1024
0
256
1024
false
0.00003
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.90089
0.90089
1.35245
0.46796
1.16295
0.93519
0.98428
1.44966
0.44279
1.20402
0.89397
0.89397
1.3116
0.49199
1.14525
68
37400
Finished
reginaib
6m 45s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.3
0
false
768
1024
0
32
1024
false
0.00001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.88716
0.88716
1.33649
0.47424
1.15607
0.83856
0.86599
1.20783
0.53573
1.09901
0.8924
0.8924
1.33116
0.48441
1.15376
100
55000
Finished
reginaib
11m 2s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.5
0
false
768
1024
0
32
1024
false
0.00003
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.92839
0.92839
1.45057
0.42936
1.2044
0.76123
0.58861
1.02909
0.60444
1.01444
0.92453
0.92453
1.41385
0.45239
1.18906
100
55000
Finished
reginaib
4m 28s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.3
0
false
128
1024
0
512
1024
false
0.00001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.93761
0.93761
1.47208
0.4209
1.21329
1.00164
0.90434
1.65234
0.36487
1.28543
0.92174
0.92174
1.41402
0.45232
1.18913
59
32450
Finished
reginaib
6m 45s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.4
0
false
128
1024
0
512
1024
false
0.00001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
0.96413
0.96413
1.52351
0.40067
1.23431
1.009
1.0416
1.68285
0.35313
1.29725
0.954
0.954
1.49138
0.42236
1.22122
100
55000
Finished
reginaib
10m 1s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.3
0
false
64
1024
0
128
1024
false
0.00001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
1.01535
1.01535
1.66576
0.34471
1.29064
1.10659
1.2275
1.98446
0.23721
1.40871
1.00601
1.00601
1.6333
0.36739
1.27801
73
40150
Finished
reginaib
9m 46s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.3
0
false
32
1024
0
32
1024
false
0.00001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
1.03321
1.03321
1.70906
0.32768
1.30731
1.24353
1.06126
2.4947
0.041097
1.57946
1.03281
1.03281
1.69169
0.34477
1.30065
100
55000
Finished
reginaib
6m 53s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.5
0
false
128
1024
0
1024
1024
false
0.00001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
1.04026
1.04026
1.75117
0.31111
1.32332
1.12591
0.86222
2.05459
0.21026
1.43339
1.02543
1.02543
1.7066
0.339
1.30637
100
55000
Finished
reginaib
6m 47s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.5
0
false
768
1024
0
128
1024
false
0.00001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
1.09041
1.09041
1.95055
0.23268
1.39662
0.93196
0.9901
1.46233
0.43791
1.20927
1.07583
1.07583
1.88557
0.26968
1.37316
100
55000
Finished
reginaib
6m 50s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.5
0
false
128
1024
0
768
1024
false
0.00001
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
1.11081
1.11081
1.95865
0.22949
1.39952
1.14119
0.98178
2.11247
0.18803
1.45343
1.09226
1.09226
1.89757
0.26503
1.37752
100
55000
Finished
reginaib
5m 37s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.4
0
false
32
1024
0
128
1024
false
0.00003
100
DTI
4
1018
15
./DDC_BDB_r_best_train/6sp38295/checkpoints/results/DDC_BDB_best_epoch_30.ckpt
false
1.13969
1.13969
1.97945
0.22131
1.40693
1.30056
1.31606
2.72822
-0.04867
1.65173
1.1242
1.1242
1.91435
0.25854
1.3836
80
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