PeptiProp GNN+ESM-2 Final Evaluation Summary
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selected_threshold: 0.20
best_f1_threshold: 0.23
best_mcc_threshold: 0.20

[validation_metrics_at_selected_threshold]
auroc: 0.881804
auprc: 0.553261
f1: 0.594451
mcc: 0.516475
precision: 0.468909
recall: 0.811794

[validation_ranking_metrics]
mrr: 0.781819
hit@1: 0.632873
hit@3: 0.935759
hit@5: 0.995985
groups_evaluated: 3985

[test_metrics]
auroc: 0.881266
auprc: 0.556599
f1: 0.588681
mcc: 0.504855
precision: 0.475996
recall: 0.771265

[test_ranking_metrics]
mrr: 0.777637
hit@1: 0.620978
hit@3: 0.946893
hit@5: 0.996474
groups_evaluated: 4538

[calibration_test]
brier_score: 0.102964
score_min: 0.000000
score_max: 1.000000
score_mean: 0.149185
score_std: 0.253205
positive_rate: 0.166667