algorithm: DANN
criterion: Calibration
criterion_final: 0.9958757360776266
dataset: HalfLife
hparams:
  discr_lr: 2.0217680589363624e-05
  discr_weight_decay: 1.0
  lambda_reg: 9.925084691494577
  lr: 0.0020284567294289726
  mlp_depth: 5
  mlp_width: 512
  n_discr_steps_per_predictor_step: 4
  penalty_weight: 1.7235816375520392e-09
  penalty_weight_schedule:
  - 0
  - 0
  weight_decay: 0.001
representation: ECFP6
seed: 6
test_calibration_Spearman_0: 0.9982828497886658
test_calibration_Spearman_1: 0.9994419813156128
test_calibration_Spearman_2: 0.9995253682136536
test_calibration_Spearman_final: 0.9982828497886658
test_extra_mae_0: 196.16073608398438
test_extra_mae_1: 197.89285278320312
test_extra_mae_2: 638.9771118164062
test_extra_mae_final: 196.16073608398438
test_extra_pearson_0: 0.3028589189052582
test_extra_pearson_1: -0.3233298063278198
test_extra_pearson_2: -0.3178952932357788
test_extra_pearson_final: 0.3028589189052582
test_extra_r2_0: -706720.875
test_extra_r2_1: -715166.4375
test_extra_r2_2: -6366893.0
test_extra_r2_final: -706720.875
test_extra_spearman_0: 0.13057467341423035
test_extra_spearman_1: -0.13057397305965424
test_extra_spearman_2: -0.1370089054107666
test_extra_spearman_final: 0.13057467341423035
test_performance_MAE_0: 196.16073608398438
test_performance_MAE_1: 197.89285278320312
test_performance_MAE_2: 638.9771118164062
test_performance_MAE_final: 196.16073608398438
train_val_split: Random
trial_seed: 41121
val_calibration_Spearman_0: 0.9974560737609863
val_calibration_Spearman_1: 0.9974560737609863
val_calibration_Spearman_2: 0.992715060710907
val_calibration_Spearman_final: 0.9974560737609863
val_extra_mae_0: 68.45561218261719
val_extra_mae_1: 87.96525573730469
val_extra_mae_2: 271.7393493652344
val_extra_mae_final: 68.45561218261719
val_extra_pearson_0: -0.12675365805625916
val_extra_pearson_1: 0.061284441500902176
val_extra_pearson_2: -0.014012453146278858
val_extra_pearson_final: -0.12675365805625916
val_extra_r2_0: -566817.3125
val_extra_r2_1: -573463.9375
val_extra_r2_2: -58348.12890625
val_extra_r2_final: -566817.3125
val_extra_spearman_0: -0.09026773273944855
val_extra_spearman_1: 0.07442747801542282
val_extra_spearman_2: -0.10830971598625183
val_extra_spearman_final: -0.09026773273944855
val_performance_MAE_0: 68.45561218261719
val_performance_MAE_1: 87.96525573730469
val_performance_MAE_2: 271.7393493652344
val_performance_MAE_final: 68.45561218261719
