Reginaib's workspace
Runs
42
Name
42 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
6m 59s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.5
true
1024
1024
1024
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.26463
0.26463
0.1889
0.73044
0.43463
0.28272
0.27017
0.16607
0.76316
0.40751
0.26099
0.26099
0.18329
0.73626
0.42812
100
82800
Finished
-
reginaib
7m 13s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.1
true
1024
1024
768
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.27338
0.27338
0.18485
0.73622
0.42994
0.25139
0.26319
0.11996
0.82892
0.34636
0.27284
0.27284
0.18356
0.73587
0.42844
100
82800
Finished
-
reginaib
7m 11s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.1
true
1024
1024
512
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.27247
0.27247
0.18528
0.73561
0.43044
0.25226
0.22898
0.11971
0.82928
0.34599
0.27268
0.27268
0.18371
0.73565
0.42862
100
82800
Finished
-
reginaib
7m 36s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.1
true
1024
1024
1024
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.27225
0.27225
0.19063
0.72797
0.43661
0.24921
0.23514
0.12088
0.82762
0.34767
0.26736
0.26736
0.18396
0.73529
0.4289
100
82800
Finished
-
reginaib
7m 32s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.2
true
1024
1024
768
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.27395
0.27395
0.18841
0.73115
0.43406
0.25463
0.26029
0.12561
0.82088
0.35442
0.27148
0.27148
0.18516
0.73356
0.43031
100
82800
Finished
-
reginaib
7m 17s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.3
true
1024
1024
768
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.26732
0.26732
0.18655
0.73379
0.43192
0.26272
0.3096
0.13529
0.8071
0.36782
0.26827
0.26827
0.18622
0.73204
0.43153
100
82800
Finished
-
reginaib
7m 10s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.2
true
1024
1024
256
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.27658
0.27658
0.19448
0.72248
0.441
0.27446
0.23001
0.14985
0.78627
0.3871
0.27231
0.27231
0.18727
0.73053
0.43275
100
82800
Finished
-
reginaib
6m 53s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.4
true
1024
1024
1024
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.26472
0.26472
0.19044
0.72824
0.43639
0.26974
0.288
0.14655
0.79099
0.38282
0.26292
0.26292
0.18775
0.72984
0.4333
100
82800
Finished
-
reginaib
6m 54s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.01
true
1024
1024
512
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.28635
0.28635
0.18966
0.72935
0.43551
0.24559
0.25657
0.11373
0.83781
0.33723
0.2873
0.2873
0.18827
0.72909
0.4339
97
80316
Finished
-
reginaib
7m 38s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.2
true
1024
1024
1024
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.27065
0.27065
0.18312
0.73868
0.42793
0.25646
0.26407
0.12756
0.81807
0.35715
0.27178
0.27178
0.18833
0.72901
0.43397
100
82800
Finished
-
reginaib
6m 52s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.4
true
1024
1024
768
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.2654
0.2654
0.18582
0.73484
0.43107
0.2756
0.27626
0.15191
0.7834
0.38975
0.26582
0.26582
0.18845
0.72883
0.43411
100
82800
Finished
-
reginaib
8m 27s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.1
true
1024
1024
256
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.27557
0.27557
0.19263
0.72512
0.43889
0.2667
0.28171
0.13725
0.80429
0.37047
0.27278
0.27278
0.18979
0.72691
0.43564
100
82800
Finished
-
reginaib
7m 22s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.3
true
1024
1024
1024
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.26846
0.26846
0.18896
0.73036
0.43469
0.25979
0.26167
0.13097
0.81322
0.3619
0.27214
0.27214
0.19211
0.72357
0.4383
100
82800
Finished
-
reginaib
7m 11s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.01
true
1024
1024
768
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.28127
0.28127
0.19906
0.71595
0.44616
0.24143
0.21674
0.11132
0.84129
0.33364
0.28075
0.28075
0.19534
0.71892
0.44197
100
82800
Finished
-
reginaib
6m 48s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.01
true
1024
1024
128
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.27874
0.27874
0.19061
0.728
0.43659
0.27208
0.28148
0.14728
0.78996
0.38377
0.28286
0.28286
0.19542
0.71881
0.44206
96
79488
Finished
-
reginaib
7m 4s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.1
true
1024
1024
128
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.29599
0.29599
0.19952
0.71528
0.44668
0.2827
0.27188
0.16296
0.76763
0.40368
0.29464
0.29464
0.19649
0.71726
0.44327
100
82800
Finished
-
reginaib
7m 17s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.2
true
1024
1024
512
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.27673
0.27673
0.19506
0.72165
0.44166
0.26002
0.25179
0.13109
0.81303
0.36207
0.27617
0.27617
0.19676
0.71688
0.44357
100
82800
Finished
-
reginaib
7m 7s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.01
true
1024
1024
256
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.28463
0.28463
0.19463
0.72226
0.44117
0.25312
0.25348
0.12308
0.82448
0.35083
0.28671
0.28671
0.19793
0.7152
0.44489
100
82800
Finished
-
reginaib
6m 54s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.5
true
1024
1024
512
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.26799
0.26799
0.19919
0.71575
0.44631
0.3003
0.28338
0.18993
0.72908
0.4358
0.27157
0.27157
0.19885
0.71387
0.44592
100
82800
Finished
-
reginaib
7m 14s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.3
true
1024
1024
512
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.27737
0.27737
0.19755
0.71809
0.44447
0.26935
0.28467
0.14346
0.79544
0.37876
0.27696
0.27696
0.19897
0.7137
0.44606
100
82800
Finished
-
reginaib
7m 3s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.4
true
1024
1024
512
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.27627
0.27627
0.20177
0.71207
0.44919
0.28429
0.26127
0.16497
0.76475
0.40616
0.27399
0.27399
0.19919
0.71338
0.4463
100
82800
Finished
-
reginaib
6m 59s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.5
true
1024
1024
768
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.2709
0.2709
0.19625
0.71995
0.44301
0.29104
0.22634
0.17563
0.74954
0.41908
0.27259
0.27259
0.19978
0.71253
0.44696
100
82800
Finished
-
reginaib
6m 15s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.01
true
1024
1024
1024
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.28875
0.28875
0.20368
0.70936
0.4513
0.25275
0.22408
0.12237
0.82545
0.34981
0.28979
0.28979
0.20371
0.70687
0.45135
88
72864
Finished
-
reginaib
7m 10s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.3
true
1024
1024
256
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.27631
0.27631
0.20603
0.706
0.4539
0.29022
0.30012
0.1746
0.75097
0.41785
0.27665
0.27665
0.20839
0.70013
0.4565
100
82800
Finished
-
reginaib
7m 25s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.3
true
1024
1024
128
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.27555
0.27555
0.21081
0.69917
0.45914
0.31391
0.26338
0.21534
0.69288
0.46405
0.27509
0.27509
0.21279
0.6938
0.4613
100
82800
Finished
-
reginaib
6m 52s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.5
true
1024
1024
256
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.27869
0.27869
0.21591
0.6919
0.46466
0.31742
0.28488
0.22373
0.68096
0.473
0.28119
0.28119
0.21963
0.68397
0.46865
100
82800
Finished
-
reginaib
7m
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.4
true
1024
1024
256
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.28556
0.28556
0.21827
0.68853
0.46719
0.30313
0.27156
0.19848
0.71688
0.44551
0.2866
0.2866
0.22281
0.67938
0.47203
100
82800
Finished
-
reginaib
7m 5s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.2
true
1024
1024
128
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.28594
0.28594
0.21936
0.68697
0.46836
0.29898
0.30614
0.19343
0.72414
0.43981
0.28691
0.28691
0.22435
0.67717
0.47366
100
82800
Finished
-
reginaib
6m 56s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.01
true
1024
1024
64
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.29491
0.29491
0.22053
0.6853
0.46961
0.29142
0.33946
0.178
0.74619
0.4219
0.29832
0.29832
0.2267
0.67379
0.47613
100
82800
Finished
-
reginaib
6m 54s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.4
true
1024
1024
128
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.28655
0.28655
0.2221
0.68307
0.47127
0.32312
0.26208
0.23387
0.6665
0.4836
0.28772
0.28772
0.22779
0.67223
0.47727
100
82800
Finished
-
reginaib
6m 56s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.01
true
1024
1024
32
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.29322
0.29322
0.22613
0.67732
0.47553
0.31497
0.27512
0.22341
0.68139
0.47266
0.29365
0.29365
0.23184
0.66639
0.4815
100
82800
Finished
-
reginaib
7m 28s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.3
true
1024
1024
64
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.28823
0.28823
0.23395
0.66615
0.48369
0.33427
0.29434
0.2537
0.63811
0.50369
0.28918
0.28918
0.238
0.65754
0.48785
100
82800
Finished
-
reginaib
7m 9s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.2
true
1024
1024
64
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.29368
0.29368
0.23688
0.66198
0.4867
0.32003
0.25118
0.23276
0.66809
0.48245
0.2967
0.2967
0.24124
0.65287
0.49116
100
82800
Finished
-
reginaib
6m 47s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.5
true
1024
1024
128
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.29207
0.29207
0.24394
0.6519
0.49391
0.34108
0.37307
0.26899
0.61638
0.51864
0.292
0.292
0.24816
0.64291
0.49816
100
82800
Finished
-
reginaib
6m 29s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.1
true
1024
1024
32
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.30123
0.30123
0.25314
0.63877
0.50313
0.33527
0.34356
0.26113
0.62761
0.51101
0.30363
0.30363
0.25822
0.62844
0.50815
92
76176
Finished
-
reginaib
4m 12s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.1
true
1024
1024
64
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.31613
0.31613
0.26158
0.62673
0.51145
0.33437
0.3522
0.24575
0.64954
0.49573
0.31887
0.31887
0.26723
0.61547
0.51694
57
47196
Finished
-
reginaib
5m 59s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.4
true
1024
1024
64
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.30588
0.30588
0.26161
0.62669
0.51148
0.35465
0.32595
0.2904
0.58578
0.53888
0.30697
0.30697
0.26763
0.61489
0.51733
85
70380
Finished
-
reginaib
6m 10s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.2
true
1024
1024
32
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.30706
0.30706
0.26043
0.62838
0.51032
0.35121
0.33566
0.28697
0.59073
0.53569
0.30993
0.30993
0.26922
0.61262
0.51886
87
72036
Finished
-
reginaib
6m 47s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.5
true
1024
1024
64
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.31895
0.31895
0.26569
0.62086
0.51546
0.3631
0.35043
0.30816
0.56046
0.55513
0.322
0.322
0.27463
0.60482
0.52405
100
82800
Finished
-
reginaib
4m 58s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.3
true
1024
1024
32
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.32333
0.32333
0.28448
0.59405
0.53337
0.37504
0.33104
0.3244
0.53743
0.56956
0.32336
0.32336
0.29019
0.58243
0.5387
65
53820
Finished
-
reginaib
3m 43s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.5
true
1024
1024
32
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.36023
0.36023
0.32775
0.53231
0.57249
0.41037
0.46322
0.38666
0.44855
0.62182
0.35867
0.35867
0.32915
0.52638
0.57371
53
43884
Finished
-
reginaib
7m 1s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0.4
true
1024
1024
32
256
1024
true
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.34345
0.34345
0.33042
0.5285
0.57482
0.37322
0.29137
0.33045
0.52854
0.57485
0.34287
0.34287
0.3347
0.51838
0.57853
100
82800
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