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2397842
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Added best models
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- data/best_model_n0_random-epoch=6-val_acc=0.74-val_roc_auc=0.796.ckpt +3 -0
- logs/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_random_best_model_n0/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_random_best_model_n0/metrics.csv +38 -45
- logs/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_random_best_model_n1/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_random_best_model_n1/metrics.csv +42 -41
- logs/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_random_best_model_n2/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_random_best_model_n2/metrics.csv +42 -43
- logs/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_random_random_cv_model_fold0/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_random_random_cv_model_fold0/metrics.csv +42 -58
- logs/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_random_random_cv_model_fold1/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_random_random_cv_model_fold1/metrics.csv +50 -54
- logs/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_random_random_cv_model_fold2/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_random_random_cv_model_fold2/metrics.csv +42 -52
- logs/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_random_random_cv_model_fold3/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_random_random_cv_model_fold3/metrics.csv +48 -46
- logs/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_random_random_cv_model_fold4/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_random_random_cv_model_fold4/metrics.csv +52 -68
- logs/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_tanimoto_best_model_n0/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_tanimoto_best_model_n0/metrics.csv +42 -53
- logs/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_tanimoto_best_model_n1/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_tanimoto_best_model_n1/metrics.csv +38 -45
- logs/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_tanimoto_best_model_n2/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_tanimoto_best_model_n2/metrics.csv +38 -37
- logs/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_tanimoto_tanimoto_cv_model_fold0/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_tanimoto_tanimoto_cv_model_fold0/metrics.csv +34 -50
- logs/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_tanimoto_tanimoto_cv_model_fold1/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_tanimoto_tanimoto_cv_model_fold1/metrics.csv +40 -48
- logs/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_tanimoto_tanimoto_cv_model_fold2/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_tanimoto_tanimoto_cv_model_fold2/metrics.csv +40 -54
- logs/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_tanimoto_tanimoto_cv_model_fold3/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_tanimoto_tanimoto_cv_model_fold3/metrics.csv +40 -50
- logs/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_tanimoto_tanimoto_cv_model_fold4/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_tanimoto_tanimoto_cv_model_fold4/metrics.csv +38 -40
- logs/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_uniprot_best_model_n0/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_uniprot_best_model_n0/metrics.csv +60 -43
- logs/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_uniprot_best_model_n1/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_uniprot_best_model_n1/metrics.csv +28 -25
- logs/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_uniprot_best_model_n2/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_uniprot_best_model_n2/metrics.csv +21 -48
- logs/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_uniprot_uniprot_cv_model_fold0/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_uniprot_uniprot_cv_model_fold0/metrics.csv +54 -40
- logs/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_uniprot_uniprot_cv_model_fold1/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_uniprot_uniprot_cv_model_fold1/metrics.csv +44 -72
- logs/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_uniprot_uniprot_cv_model_fold2/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_uniprot_uniprot_cv_model_fold2/metrics.csv +19 -51
- logs/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_uniprot_uniprot_cv_model_fold3/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_uniprot_uniprot_cv_model_fold3/metrics.csv +19 -35
- logs/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_uniprot_uniprot_cv_model_fold4/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_uniprot_uniprot_cv_model_fold4/metrics.csv +62 -48
- models/best_model_n0_random-epoch=6-test_acc=0.78-test_roc_auc=0.827.ckpt +3 -0
- models/best_model_n0_tanimoto-epoch=8-test_acc=0.81-test_roc_auc=0.859.ckpt +3 -0
- models/best_model_n0_uniprot-epoch=12-test_acc=0.67-test_roc_auc=0.607.ckpt +3 -0
- models/best_model_n1_random-epoch=8-test_acc=0.78-test_roc_auc=0.851.ckpt +3 -0
- models/best_model_n1_tanimoto-epoch=5-test_acc=0.75-test_roc_auc=0.820.ckpt +3 -0
- models/best_model_n1_uniprot-epoch=2-test_acc=0.62-test_roc_auc=0.664.ckpt +3 -0
- models/best_model_n2_random-epoch=9-test_acc=0.78-test_roc_auc=0.840.ckpt +3 -0
- models/best_model_n2_tanimoto-epoch=7-test_acc=0.80-test_roc_auc=0.864.ckpt +3 -0
- models/best_model_n2_uniprot-epoch=2-test_acc=0.56-test_roc_auc=0.655.ckpt +3 -0
- models/cv_model_random_fold0-epoch=12-val_acc=0.86-val_roc_auc=0.905.ckpt +3 -0
- models/cv_model_random_fold1-epoch=16-val_acc=0.86-val_roc_auc=0.933.ckpt +3 -0
- models/cv_model_random_fold2-epoch=13-val_acc=0.88-val_roc_auc=0.908.ckpt +3 -0
- models/cv_model_random_fold3-epoch=15-val_acc=0.89-val_roc_auc=0.930.ckpt +3 -0
- models/cv_model_random_fold4-epoch=15-val_acc=0.88-val_roc_auc=0.928.ckpt +3 -0
- models/cv_model_tanimoto_fold0-epoch=7-val_acc=0.79-val_roc_auc=0.813.ckpt +3 -0
- models/cv_model_tanimoto_fold1-epoch=7-val_acc=0.85-val_roc_auc=0.913.ckpt +3 -0
- models/cv_model_tanimoto_fold2-epoch=8-val_acc=0.88-val_roc_auc=0.936.ckpt +3 -0
- models/cv_model_tanimoto_fold3-epoch=8-val_acc=0.81-val_roc_auc=0.861.ckpt +3 -0
- models/cv_model_tanimoto_fold4-epoch=9-val_acc=0.74-val_roc_auc=0.788.ckpt +3 -0
- models/cv_model_uniprot_fold0-epoch=19-val_acc=0.64-val_roc_auc=0.717.ckpt +3 -0
- models/cv_model_uniprot_fold1-epoch=8-val_acc=0.86-val_roc_auc=0.923.ckpt +3 -0
- models/cv_model_uniprot_fold2-epoch=3-val_acc=0.51-val_roc_auc=0.550.ckpt +3 -0
- models/cv_model_uniprot_fold3-epoch=4-val_acc=0.50-val_roc_auc=0.483.ckpt +3 -0
- models/cv_model_uniprot_fold4-epoch=16-val_acc=0.84-val_roc_auc=0.855.ckpt +3 -0
- plots/training_metrics_uniprot_cv_model_fold2.pdf → notebooks/ablation_study_random.pdf +0 -0
data/best_model_n0_random-epoch=6-val_acc=0.74-val_roc_auc=0.796.ckpt
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logs/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_random_random_cv_model_fold1/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_random_random_cv_model_fold1/metrics.csv
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logs/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_random_random_cv_model_fold3/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_random_random_cv_model_fold3/metrics.csv
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logs/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_tanimoto_best_model_n1/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_tanimoto_best_model_n1/metrics.csv
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logs/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_tanimoto_best_model_n2/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_tanimoto_best_model_n2/metrics.csv
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logs/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_tanimoto_tanimoto_cv_model_fold1/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_tanimoto_tanimoto_cv_model_fold1/metrics.csv
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logs/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_uniprot_best_model_n1/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_uniprot_best_model_n1/metrics.csv
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logs/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_uniprot_best_model_n2/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_uniprot_best_model_n2/metrics.csv
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logs/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_uniprot_uniprot_cv_model_fold0/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_uniprot_uniprot_cv_model_fold0/metrics.csv
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logs/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_uniprot_uniprot_cv_model_fold2/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_uniprot_uniprot_cv_model_fold2/metrics.csv
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logs/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_uniprot_uniprot_cv_model_fold3/logs_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_uniprot_uniprot_cv_model_fold3/metrics.csv
CHANGED
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