Commit
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c8d51e3
1
Parent(s):
2397842
Added ablation study and performance plots
Browse files- plots/Active_Dmax_0.6_pDC50_6.0_metrics.pdf +0 -0
- plots/{Active_Dmax_0.6_pDC50_6.0_metrics_majority_vote.pdf → Active_Dmax_0.6_pDC50_6.0_metrics_majority_vote_best_models.pdf} +0 -0
- plots/Active_Dmax_0.6_pDC50_6.0_metrics_majority_vote_cv_models.pdf +0 -0
- plots/ablation_study_random.pdf +0 -0
- plots/ablation_study_tanimoto.pdf +0 -0
- plots/ablation_study_uniprot.pdf +0 -0
- plots/training_metrics_random_best_model.pdf +0 -0
- plots/training_metrics_random_cv_model.pdf +0 -0
- plots/training_metrics_tanimoto_best_model.pdf +0 -0
- plots/training_metrics_tanimoto_cv_model.pdf +0 -0
- plots/training_metrics_uniprot_best_model.pdf +0 -0
- plots/training_metrics_uniprot_cv_model.pdf +0 -0
- src/plot_experiment_results.py +9 -3
plots/Active_Dmax_0.6_pDC50_6.0_metrics.pdf
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Binary files a/plots/Active_Dmax_0.6_pDC50_6.0_metrics.pdf and b/plots/Active_Dmax_0.6_pDC50_6.0_metrics.pdf differ
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plots/{Active_Dmax_0.6_pDC50_6.0_metrics_majority_vote.pdf → Active_Dmax_0.6_pDC50_6.0_metrics_majority_vote_best_models.pdf}
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Binary files a/plots/Active_Dmax_0.6_pDC50_6.0_metrics_majority_vote.pdf and b/plots/Active_Dmax_0.6_pDC50_6.0_metrics_majority_vote_best_models.pdf differ
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plots/Active_Dmax_0.6_pDC50_6.0_metrics_majority_vote_cv_models.pdf
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Binary file (16.7 kB). View file
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plots/ablation_study_random.pdf
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plots/ablation_study_tanimoto.pdf
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Binary files a/plots/ablation_study_tanimoto.pdf and b/plots/ablation_study_tanimoto.pdf differ
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plots/ablation_study_uniprot.pdf
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Binary files a/plots/ablation_study_uniprot.pdf and b/plots/ablation_study_uniprot.pdf differ
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plots/training_metrics_random_best_model.pdf
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Binary files a/plots/training_metrics_random_best_model.pdf and b/plots/training_metrics_random_best_model.pdf differ
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plots/training_metrics_random_cv_model.pdf
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plots/training_metrics_tanimoto_best_model.pdf
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plots/training_metrics_tanimoto_cv_model.pdf
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plots/training_metrics_uniprot_best_model.pdf
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plots/training_metrics_uniprot_cv_model.pdf
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src/plot_experiment_results.py
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@@ -364,11 +364,17 @@ def main():
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plot_performance_metrics(
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reports['cv_train'],
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reports['majority_vote'][reports['majority_vote']['cv_models']
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title=f'{active_name}
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)
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reports['test']['disabled_embeddings'] = pd.NA
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plot_ablation_study(pd.concat([
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plot_performance_metrics(
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reports['cv_train'],
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reports['majority_vote'][reports['majority_vote']['cv_models'].isna()],
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title=f'{active_name}_metrics_majority_vote_best_models',
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)
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plot_performance_metrics(
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reports['cv_train'],
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reports['majority_vote'][reports['majority_vote']['cv_models'] == True],
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title=f'{active_name}_metrics_majority_vote_cv_models',
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)
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# plot_majority_voting_performance(reports['majority_vote'])
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reports['test']['disabled_embeddings'] = pd.NA
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plot_ablation_study(pd.concat([
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