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
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 7s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.4
0
false
768
1024
0
32
1024
false
0.0003
100
DTI
1
1018
15
false
0.54768
0.54768
0.61678
0.75737
0.78535
0.43408
0.50741
0.37007
0.85775
0.60834
0.55581
0.55581
0.63045
0.75581
0.79401
100
55000
Finished
-
reginaib
5m 54s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.5
0
false
256
1024
0
256
1024
false
0.001
100
DTI
1
1018
15
false
0.55355
0.55355
0.61811
0.75684
0.7862
0.47433
0.52374
0.43045
0.83454
0.65608
0.56268
0.56268
0.63949
0.75231
0.79968
100
55000
Finished
-
reginaib
5m 5s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.01
0
false
512
768
0
128
1024
false
0.0001
100
DTI
1
1018
15
false
0.53923
0.53923
0.60984
0.7601
0.78092
0.27581
0.29052
0.21423
0.91765
0.46285
0.55458
0.55458
0.64658
0.74957
0.8041
77
42350
Finished
-
reginaib
5m 3s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.2
0
false
1024
1024
0
512
1024
false
0.001
100
DTI
1
1018
15
false
0.55518
0.55518
0.62148
0.75552
0.78834
0.38146
0.4343
0.30625
0.88228
0.5534
0.56277
0.56277
0.64715
0.74935
0.80446
84
46200
Finished
-
reginaib
7m 18s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.3
0
false
512
512
0
256
1024
false
0.001
100
DTI
1
1018
15
false
0.56989
0.56989
0.6334
0.75083
0.79586
0.39803
0.39929
0.32671
0.87442
0.57158
0.58087
0.58087
0.65543
0.74614
0.80959
100
55000
Finished
-
reginaib
5m 9s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.4
0
false
768
128
0
256
1024
false
0.0003
100
DTI
1
1018
15
false
0.56882
0.56882
0.63204
0.75136
0.79501
0.52661
0.54242
0.5098
0.80405
0.714
0.58134
0.58134
0.65547
0.74612
0.80961
88
48400
Finished
-
reginaib
6m 12s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.3
0
false
1024
512
0
64
1024
false
0.0003
100
DTI
3
1018
15
false
0.54382
0.54382
0.64336
0.74691
0.8021
0.39086
0.30364
0.32413
0.87541
0.56932
0.55316
0.55316
0.65944
0.74459
0.81206
100
55000
Finished
-
reginaib
6m 35s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.01
0
false
1024
768
0
768
1024
false
0.0001
100
DTI
2
1018
15
false
0.54217
0.54217
0.63109
0.75173
0.79441
0.26724
0.2988
0.20906
0.91964
0.45723
0.55559
0.55559
0.66652
0.74184
0.81641
100
55000
Finished
-
reginaib
5m 27s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.1
0
false
768
512
0
768
1024
false
0.0003
100
DTI
2
1018
15
false
0.55895
0.55895
0.63868
0.74875
0.79917
0.354
0.36952
0.27661
0.89367
0.52594
0.57059
0.57059
0.6706
0.74026
0.8189
87
47850
Finished
-
reginaib
5m 35s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.1
0
false
512
1024
0
768
1024
false
0.001
100
DTI
2
1018
15
false
0.55097
0.55097
0.65546
0.74215
0.8096
0.35693
0.33269
0.28555
0.89024
0.53437
0.56184
0.56184
0.67794
0.73742
0.82337
85
46750
Finished
-
reginaib
5m 47s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.01
0
false
256
512
0
64
1024
false
0.001
100
DTI
2
1018
15
false
0.55611
0.55611
0.65943
0.74059
0.81205
0.2815
0.28446
0.22459
0.91367
0.47391
0.56549
0.56549
0.68294
0.73548
0.8264
96
52800
Finished
-
reginaib
2m 54s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.1
0
false
1024
64
0
32
1024
false
0.001
100
DTI
1
1018
15
false
0.59281
0.59281
0.67043
0.73626
0.8188
0.42119
0.41223
0.35523
0.86346
0.59601
0.60211
0.60211
0.69637
0.73028
0.83449
45
24750
Finished
-
reginaib
7m 21s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.01
0
false
1024
256
0
32
1024
false
0.001
100
DTI
2
1018
15
false
0.55715
0.55715
0.65033
0.74417
0.80643
0.27114
0.30601
0.20589
0.92086
0.45375
0.57392
0.57392
0.6982
0.72957
0.83559
82
45100
Finished
-
reginaib
6m 44s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.2
0
false
768
256
0
128
1024
false
0.0003
100
DTI
4
1018
15
false
0.56972
0.56972
0.69178
0.72786
0.83173
0.40958
0.51337
0.36052
0.86142
0.60043
0.57525
0.57525
0.70948
0.72521
0.84231
100
55000
Finished
-
reginaib
11m 49s
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
false
0.57717
0.57717
0.70788
0.72153
0.84136
0.4664
0.45833
0.44326
0.82962
0.66578
0.58037
0.58037
0.71503
0.72306
0.84559
100
55000
Finished
-
reginaib
5m 33s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.3
0
false
64
512
0
768
1024
false
0.0003
100
DTI
1
1018
15
false
0.60674
0.60674
0.73142
0.71227
0.85523
0.55173
0.63414
0.59311
0.77202
0.77014
0.61083
0.61083
0.72942
0.71748
0.85406
100
55000
Finished
-
reginaib
5m 50s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.4
0
false
256
768
0
512
1024
false
0.001
100
DTI
3
1018
15
false
0.57892
0.57892
0.70796
0.7215
0.8414
0.51539
0.39492
0.52783
0.79711
0.72652
0.59195
0.59195
0.73023
0.71717
0.85454
89
48950
Finished
-
reginaib
6m 36s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.3
0
false
512
512
0
256
1024
false
0.001
100
DTI
4
1018
15
false
0.57936
0.57936
0.7182
0.71747
0.84746
0.46327
0.45061
0.44694
0.82821
0.66854
0.5891
0.5891
0.7418
0.71269
0.86128
98
53900
Finished
-
reginaib
6m 7s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.01
0
false
128
32
0
128
1024
false
0.001
100
DTI
1
1018
15
false
0.60561
0.60561
0.71422
0.71903
0.84512
0.41484
0.41971
0.37384
0.8563
0.61142
0.61465
0.61465
0.74207
0.71258
0.86144
60
33000
Finished
-
reginaib
6m 37s
gpu
./analysis/bindingdb_ki_d_t_aff_smiles_split.csv
0.5
0
false
256
1024
0
1024
1024
false
0.0003
100
DTI
3
1018
15
false
0.60457
0.60457
0.74964
0.7051
0.86582
0.5237
0.42564
0.5443
0.79078
0.73777
0.60841
0.60841
0.74521
0.71136
0.86326
100
55000
1-20
of 100