Joblib
ynuozhang commited on
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43ed8e5
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1 Parent(s): df85e24

update new models

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  1. training_classifiers/half_life/cnn_smiles/cv_fold_metrics.csv +3 -0
  2. training_classifiers/half_life/cnn_smiles/cv_oof_predictions.csv +3 -0
  3. training_classifiers/half_life/cnn_smiles/cv_oof_summary.json +5 -0
  4. training_classifiers/half_life/cnn_unpooled_smiles/best_model.pt +3 -0
  5. training_classifiers/half_life/cnn_unpooled_smiles/cv_fold_metrics.csv +3 -0
  6. training_classifiers/half_life/cnn_unpooled_smiles/cv_oof_predictions.csv +3 -0
  7. training_classifiers/half_life/cnn_unpooled_smiles/cv_oof_summary.json +5 -0
  8. training_classifiers/half_life/{enet_smiles → enet_gpu_smiles}/best_model.joblib +0 -0
  9. training_classifiers/half_life/enet_gpu_smiles/cv_fold_metrics.csv +3 -0
  10. training_classifiers/half_life/enet_gpu_smiles/cv_oof_predictions.csv +3 -0
  11. training_classifiers/half_life/enet_gpu_smiles/cv_oof_summary.json +5 -0
  12. training_classifiers/half_life/mlp_smiles/cv_fold_metrics.csv +3 -0
  13. training_classifiers/half_life/mlp_smiles/cv_oof_predictions.csv +3 -0
  14. training_classifiers/half_life/mlp_smiles/cv_oof_summary.json +5 -0
  15. training_classifiers/half_life/mlp_unpooled_smiles/best_model.pt +3 -0
  16. training_classifiers/half_life/mlp_unpooled_smiles/cv_fold_metrics.csv +3 -0
  17. training_classifiers/half_life/mlp_unpooled_smiles/cv_oof_predictions.csv +3 -0
  18. training_classifiers/half_life/mlp_unpooled_smiles/cv_oof_summary.json +5 -0
  19. training_classifiers/half_life/{svr_smiles → svr_gpu_smiles}/best_model.joblib +0 -0
  20. training_classifiers/half_life/svr_gpu_smiles/cv_fold_metrics.csv +3 -0
  21. training_classifiers/half_life/svr_gpu_smiles/cv_oof_predictions.csv +3 -0
  22. training_classifiers/half_life/svr_gpu_smiles/cv_oof_summary.json +5 -0
  23. training_classifiers/half_life/transformer_smiles/cv_fold_metrics.csv +3 -0
  24. training_classifiers/half_life/transformer_smiles/cv_oof_predictions.csv +3 -0
  25. training_classifiers/half_life/transformer_smiles/cv_oof_summary.json +5 -0
  26. training_classifiers/half_life/transformer_unpooled_smiles/best_model.pt +3 -0
  27. training_classifiers/half_life/transformer_unpooled_smiles/cv_fold_metrics.csv +3 -0
  28. training_classifiers/half_life/transformer_unpooled_smiles/cv_oof_predictions.csv +3 -0
  29. training_classifiers/half_life/transformer_unpooled_smiles/cv_oof_summary.json +5 -0
  30. training_classifiers/half_life/transformer_wt_log/best_model.pt +3 -0
  31. training_classifiers/half_life/transformer_wt_log/best_params.json +6 -0
  32. training_classifiers/half_life/transformer_wt_log/cv_fold_reports.json +73 -0
  33. training_classifiers/half_life/transformer_wt_log/final_model_benchmark.json +39 -0
  34. training_classifiers/half_life/transformer_wt_log/oof_pred_vs_true.png +0 -0
  35. training_classifiers/half_life/transformer_wt_log/oof_predictions.csv +3 -0
  36. training_classifiers/half_life/transformer_wt_log/oof_residual_hist.png +0 -0
  37. training_classifiers/half_life/transformer_wt_log/oof_residual_vs_pred.png +0 -0
  38. training_classifiers/half_life/transformer_wt_log/optimization_summary.txt +33 -0
  39. training_classifiers/half_life/{xgb_wt → transformer_wt_log}/study_trials.csv +2 -2
  40. training_classifiers/half_life/transformer_wt_raw/best_model.pt +3 -0
  41. training_classifiers/half_life/transformer_wt_raw/best_params.json +6 -0
  42. training_classifiers/half_life/transformer_wt_raw/cv_fold_reports.json +73 -0
  43. training_classifiers/half_life/transformer_wt_raw/final_model_benchmark.json +39 -0
  44. training_classifiers/half_life/transformer_wt_raw/oof_pred_vs_true.png +0 -0
  45. training_classifiers/half_life/transformer_wt_raw/oof_predictions.csv +3 -0
  46. training_classifiers/half_life/transformer_wt_raw/oof_residual_hist.png +0 -0
  47. training_classifiers/half_life/transformer_wt_raw/oof_residual_vs_pred.png +0 -0
  48. training_classifiers/half_life/transformer_wt_raw/optimization_summary.txt +33 -0
  49. training_classifiers/half_life/transformer_wt_raw/study_trials.csv +3 -0
  50. training_classifiers/half_life/xgb_smiles/cv_fold_metrics.csv +3 -0
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training_classifiers/half_life/{enet_smiles → enet_gpu_smiles}/best_model.joblib RENAMED
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training_classifiers/half_life/{svr_smiles → svr_gpu_smiles}/best_model.joblib RENAMED
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+ ========================================================================
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+ MODEL: transformer
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+ Dataset: /scratch/pranamlab/tong/data/halflife/halflife_embedding_unpooled
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+ Target column: log_label
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+ CV folds: 5
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+ Optuna objective: spearman (direction=maximize)
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+ Best trial: 45
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+ OOF metrics:
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+ {
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+ OOF score (spearman): 0.581827
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+ Best params:
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+ "dropout": 0.3851371373367485,
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+ "batch_size": 16
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+ }
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+ Final refit epochs (all data): 15
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+ Saved final model: /scratch/pranamlab/tong/PeptiVerse/src/halflife/finetune_stability_transformer/final_model.pt
25
+ Benchmark (final model on full data):
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+ {
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+ ========================================================================
training_classifiers/half_life/{xgb_wt → transformer_wt_log}/study_trials.csv RENAMED
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+ ========================================================================
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