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
6m 53s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.2
0
false
768
1024
0
128
1024
false
0.001
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.27858
0.27858
0.18899
0.73031
0.43473
0.28378
0.30065
0.16956
0.75813
0.41178
0.27859
0.27859
0.18638
0.73181
0.43171
100
82800
Finished
-
reginaib
7m 13s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0
false
768
1024
0
128
1024
false
0.001
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.27917
0.27917
0.19499
0.72176
0.44157
0.25412
0.25652
0.13473
0.8079
0.36705
0.27656
0.27656
0.18787
0.72967
0.43344
100
82800
Finished
-
reginaib
6m 49s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0
false
1024
1024
0
64
1024
false
0.001
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.25757
0.25757
0.19062
0.72799
0.4366
0.24966
0.30327
0.13454
0.80807
0.3668
0.25906
0.25906
0.19026
0.72623
0.43619
100
82800
Finished
-
reginaib
5m 47s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.01
0
false
768
1024
0
768
1024
false
0.0001
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.27877
0.27877
0.19361
0.72372
0.44001
0.17138
0.18132
0.07417
0.89421
0.27234
0.27777
0.27777
0.19114
0.72497
0.43719
83
68724
Finished
-
reginaib
10m 18s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.3
0
false
1024
1024
0
128
1024
false
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.26373
0.26373
0.19163
0.72655
0.43775
0.32711
0.33755
0.20106
0.71339
0.4484
0.2655
0.2655
0.19176
0.72408
0.4379
100
82800
Finished
-
reginaib
6m 53s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0
false
1024
1024
0
64
1024
false
0.001
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.27135
0.27135
0.2034
0.70975
0.451
0.24567
0.23415
0.12891
0.81616
0.35904
0.27127
0.27127
0.20038
0.71166
0.44764
100
82800
Finished
-
reginaib
7m 8s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.4
0
false
1024
1024
0
256
1024
false
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.27555
0.27555
0.20088
0.71335
0.44819
0.36822
0.41016
0.2465
0.64838
0.49648
0.27661
0.27661
0.20138
0.71022
0.44876
100
82800
Finished
-
reginaib
6m
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.01
0
false
768
1024
0
512
1024
false
0.00003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.27504
0.27504
0.20108
0.71306
0.44842
0.18705
0.16267
0.10234
0.85404
0.31991
0.27439
0.27439
0.20174
0.7097
0.44916
86
71208
Finished
-
reginaib
6m 56s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.2
0
false
768
1024
0
512
1024
false
0.0001
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.31256
0.31256
0.21063
0.69943
0.45895
0.35001
0.40106
0.23392
0.66635
0.48365
0.31042
0.31042
0.207
0.70213
0.45498
100
82800
Finished
-
reginaib
6m 51s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.4
0
false
768
1024
0
128
1024
false
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.27541
0.27541
0.21016
0.70011
0.45843
0.38416
0.3996
0.28546
0.59298
0.53429
0.27462
0.27462
0.209
0.69927
0.45716
100
82800
Finished
-
reginaib
6m 48s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.01
0
false
768
1024
0
128
1024
false
0.00003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.28695
0.28695
0.20872
0.70216
0.45686
0.19295
0.17947
0.10784
0.84619
0.3284
0.28829
0.28829
0.20942
0.69866
0.45762
100
82800
Finished
-
reginaib
7m 18s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.2
0
false
768
1024
0
1024
1024
false
0.0001
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.28326
0.28326
0.21099
0.69892
0.45934
0.35555
0.36591
0.23877
0.65948
0.48864
0.28411
0.28411
0.21132
0.69593
0.45969
100
82800
Finished
-
reginaib
6m 52s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0
false
768
1024
0
256
1024
false
0.00003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.29174
0.29174
0.21014
0.70013
0.45841
0.31863
0.34079
0.2082
0.70305
0.45629
0.29265
0.29265
0.21177
0.69528
0.46018
100
82800
Finished
-
reginaib
6m 48s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.2
0
false
256
1024
0
64
1024
false
0.001
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.25341
0.25341
0.2144
0.69406
0.46303
0.24795
0.29672
0.19166
0.72668
0.43779
0.25315
0.25315
0.21382
0.69233
0.46241
100
82800
Finished
-
reginaib
6m 46s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.1
0
false
256
1024
0
128
1024
false
0.001
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.28275
0.28275
0.21591
0.69189
0.46466
0.2909
0.26073
0.20404
0.70898
0.4517
0.28341
0.28341
0.21578
0.6895
0.46452
100
82800
Finished
-
reginaib
6m 52s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.4
0
false
768
1024
0
128
1024
false
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.27846
0.27846
0.21662
0.69088
0.46543
0.38668
0.38882
0.28729
0.59033
0.536
0.27603
0.27603
0.21653
0.68843
0.46533
100
82800
Finished
-
reginaib
6m 59s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.5
0
false
768
1024
0
512
1024
false
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.28361
0.28361
0.21864
0.68801
0.46759
0.41943
0.40651
0.32587
0.53524
0.57085
0.28303
0.28303
0.21832
0.68586
0.46724
100
82800
Finished
-
reginaib
6m 56s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.3
0
false
512
1024
0
768
1024
false
0.0003
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.28894
0.28894
0.22131
0.68419
0.47044
0.4069
0.42456
0.3129
0.55366
0.55937
0.28788
0.28788
0.22034
0.68295
0.4694
100
82800
Finished
-
reginaib
6m 53s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.4
0
false
768
1024
0
128
1024
false
0.001
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.26476
0.26476
0.2196
0.68664
0.46861
0.29157
0.2509
0.22706
0.67616
0.47651
0.26472
0.26472
0.22083
0.68223
0.46993
100
82800
Finished
-
reginaib
7m 2s
gpu
./analysis/kiba_d_t_aff_smiles_split.csv
0.5
0
false
1024
1024
0
768
1024
false
0.0001
100
DTI
1
229
15
./results/DDC_best_epoch_23.ckpt
false
0.28973
0.28973
0.22284
0.68201
0.47206
0.47044
0.43099
0.3927
0.43998
0.62666
0.28825
0.28825
0.22087
0.68219
0.46996
100
82800
1-20
of 100