ribesstefano commited on
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eaba7e8
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1 Parent(s): 2ca0a98

Fixed bug in studies and retrained models

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  1. data/studies/e3_ligase_test_10split_Active_Dmax_0.6_pDC50_6.0.csv +0 -0
  2. data/studies/e3_ligase_train_val_90split_Active_Dmax_0.6_pDC50_6.0.csv +0 -0
  3. data/studies/standard_test_10split_Active_Dmax_0.6_pDC50_6.0.csv +0 -0
  4. data/studies/standard_train_val_90split_Active_Dmax_0.6_pDC50_6.0.csv +0 -0
  5. data/studies/target_test_10split_Active_Dmax_0.6_pDC50_6.0.csv +0 -0
  6. data/studies/target_train_val_90split_Active_Dmax_0.6_pDC50_6.0.csv +0 -0
  7. 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 +0 -39
  8. 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 +0 -39
  9. 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 +0 -39
  10. 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 +0 -47
  11. 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 +0 -43
  12. 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 +0 -43
  13. 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 +0 -47
  14. 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 +0 -49
  15. 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 +0 -43
  16. 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 +0 -51
  17. 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 +0 -43
  18. 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 +0 -33
  19. 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 +0 -47
  20. 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 +0 -49
  21. 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 +0 -39
  22. 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 +0 -31
  23. 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 +0 -49
  24. 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 +0 -29
  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 +0 -43
  26. 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 +0 -27
  27. 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 +0 -67
  28. 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 +0 -31
  29. 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 +0 -15
  30. 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 +0 -15
  31. protac_degradation_predictor/models/{best_model-aminoacidcnt-study=similarity-Dmax=0.6-pDC50=6.0-test_split=0.1-test_acc=0.87-test_roc_auc=0.905.ckpt β†’ best_model-aminoacidcnt-study=similarity-Dmax=0.6-pDC50=6.0-test_split=0.1-test_acc=0.85-test_roc_auc=0.909.ckpt} +2 -2
  32. protac_degradation_predictor/models/{cv_model-aminoacidcnt-fold=1-study=target-Dmax=0.6-pDC50=6.0-test_split=0.1-val_acc=0.75-val_roc_auc=0.779.ckpt β†’ best_model-aminoacidcnt-study=similarity-Dmax=0.6-pDC50=6.0-test_split=0.1-test_acc=0.89-test_roc_auc=0.882.ckpt} +2 -2
  33. protac_degradation_predictor/models/{best_model-study=target-Dmax=0.6-pDC50=6.0-test_split=0.1-test_acc=0.74-test_roc_auc=0.726.ckpt β†’ best_model-cellsonehot-study=target-Dmax=0.6-pDC50=6.0-test_split=0.1-test_acc=0.58-test_roc_auc=0.648.ckpt} +2 -2
  34. protac_degradation_predictor/models/{best_model-pytorch-study=target-Dmax=0.6-pDC50=6.0-test_split=0.1-test_acc=0.74-test_roc_auc=0.698-v1.ckpt β†’ best_model-cellsonehot-study=target-Dmax=0.6-pDC50=6.0-test_split=0.1-test_acc=0.61-test_roc_auc=0.670.ckpt} +2 -2
  35. protac_degradation_predictor/models/{best_model-cellsonehot-study=standard-Dmax=0.6-pDC50=6.0-test_split=0.1-test_acc=0.83-test_roc_auc=0.872.ckpt β†’ best_model-pytorch-study=similarity-Dmax=0.6-pDC50=6.0-test_split=0.1-test_acc=0.87-test_roc_auc=0.893.ckpt} +2 -2
  36. protac_degradation_predictor/models/best_model-pytorch-study=standard-Dmax=0.6-pDC50=6.0-test_split=0.1-test_acc=0.82-test_roc_auc=0.863.ckpt +3 -0
  37. protac_degradation_predictor/models/best_model-pytorch-study=standard-Dmax=0.6-pDC50=6.0-test_split=0.1-test_acc=0.83-test_roc_auc=0.868.ckpt +3 -0
  38. protac_degradation_predictor/models/best_model-pytorch-study=standard-Dmax=0.6-pDC50=6.0-test_split=0.1-test_acc=0.83-test_roc_auc=0.875.ckpt +3 -0
  39. protac_degradation_predictor/models/{best_model-pytorch-study=target-Dmax=0.6-pDC50=6.0-test_split=0.1-test_acc=0.74-test_roc_auc=0.698-v2.ckpt β†’ best_model-pytorch-study=target-Dmax=0.6-pDC50=6.0-test_split=0.1-test_acc=0.59-test_roc_auc=0.576.ckpt} +2 -2
  40. protac_degradation_predictor/models/best_model-study=similarity-Dmax=0.6-pDC50=6.0-test_split=0.1-test_acc=0.88-test_roc_auc=0.892.ckpt +0 -3
  41. protac_degradation_predictor/models/best_model-study=standard-Dmax=0.6-pDC50=6.0-test_split=0.1-test_acc=0.82-test_roc_auc=0.855.ckpt +0 -3
  42. protac_degradation_predictor/models/best_model-study=standard-Dmax=0.6-pDC50=6.0-test_split=0.1-test_acc=0.83-test_roc_auc=0.867.ckpt +0 -3
  43. reports/study_Active_Dmax_0.6_pDC50_6.0_test_split_0.1_random.pkl β†’ protac_degradation_predictor/models/cv_model-aminoacidcnt-fold=0-study=target-Dmax=0.6-pDC50=6.0-test_split=0.1-val_acc=0.73-val_roc_auc=0.793.ckpt +2 -2
  44. protac_degradation_predictor/models/cv_model-aminoacidcnt-fold=1-study=standard-Dmax=0.6-pDC50=6.0-test_split=0.1-val_acc=0.82-val_roc_auc=0.860.ckpt +3 -0
  45. protac_degradation_predictor/models/{cv_model-aminoacidcnt-fold=1-study=similarity-Dmax=0.6-pDC50=6.0-test_split=0.1-val_acc=0.83-val_roc_auc=0.878.ckpt β†’ cv_model-aminoacidcnt-fold=3-study=standard-Dmax=0.6-pDC50=6.0-test_split=0.1-val_acc=0.84-val_roc_auc=0.851.ckpt} +1 -1
  46. protac_degradation_predictor/models/cv_model-aminoacidcnt-fold=4-study=target-Dmax=0.6-pDC50=6.0-test_split=0.1-val_acc=0.84-val_roc_auc=0.394.ckpt +3 -0
  47. protac_degradation_predictor/models/cv_model-cellsonehot-fold=0-study=standard-Dmax=0.6-pDC50=6.0-test_split=0.1-val_acc=0.83-val_roc_auc=0.886.ckpt +0 -3
  48. protac_degradation_predictor/models/cv_model-cellsonehot-fold=1-study=similarity-Dmax=0.6-pDC50=6.0-test_split=0.1-val_acc=0.79-val_roc_auc=0.800.ckpt +3 -0
  49. protac_degradation_predictor/models/cv_model-cellsonehot-fold=1-study=target-Dmax=0.6-pDC50=6.0-test_split=0.1-val_acc=0.74-val_roc_auc=0.720.ckpt +3 -0
  50. protac_degradation_predictor/models/cv_model-cellsonehot-fold=2-study=target-Dmax=0.6-pDC50=6.0-test_split=0.1-val_acc=0.67-val_roc_auc=0.529.ckpt +3 -0
data/studies/e3_ligase_test_10split_Active_Dmax_0.6_pDC50_6.0.csv CHANGED
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data/studies/e3_ligase_train_val_90split_Active_Dmax_0.6_pDC50_6.0.csv CHANGED
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data/studies/standard_test_10split_Active_Dmax_0.6_pDC50_6.0.csv CHANGED
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data/studies/standard_train_val_90split_Active_Dmax_0.6_pDC50_6.0.csv CHANGED
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data/studies/target_test_10split_Active_Dmax_0.6_pDC50_6.0.csv CHANGED
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data/studies/target_train_val_90split_Active_Dmax_0.6_pDC50_6.0.csv CHANGED
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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 DELETED
@@ -1,39 +0,0 @@
1
- val_loss,val_acc,val_f1_score,val_precision,val_recall,val_roc_auc,epoch,step,train_loss_epoch,train_acc_epoch,train_f1_score_epoch,train_precision_epoch,train_recall_epoch,train_roc_auc_epoch,lr-Adam,train_loss_step
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- 0.7207046151161194,0.6162790656089783,0.6796116232872009,0.5555555820465088,0.875,0.7160326242446899,14,98,,,,,,,,
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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 DELETED
@@ -1,39 +0,0 @@
1
- val_loss,val_acc,val_f1_score,val_precision,val_recall,val_roc_auc,epoch,step,train_loss_epoch,train_acc_epoch,train_f1_score_epoch,train_precision_epoch,train_recall_epoch,train_roc_auc_epoch,lr-Adam,train_loss_step
2
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3
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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 DELETED
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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 DELETED
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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 DELETED
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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 DELETED
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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 DELETED
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