Molecular Property Prediction on Polaris Potency (test)
79MERSECFP
Evaluation results
| Method | Links | ||
|---|---|---|---|
| ECFPHyperparameter Selection=Best validation score2026.01 | 79 | 57 | |
| ECFPHyperparameter selection=best on test dataset, Aggregation=10-run mean2026.01 | 75 | 52 | |
| GNNHyperparameter Selection=Best validation score, Baselines Abstracted=GCN, GIN, GAT, GraphSAGE2026.01 | 71 | 45 | |
| GNNHyperparameter selection=best on test dataset, Aggregation=10-run mean, Model selection=best-performing among GCN, GIN, GAT, GraphSAGE2026.01 | 71 | 42 | |
| XIMPHyperparameter Selection=Best validation score2026.01 | 69 | 41 | |
| XIMPHyperparameter selection=best on test dataset, Aggregation=10-run mean2026.01 | 68 | 38 | |
| HIMPHyperparameter Selection=Best validation score2026.01 | 64 | 39 | |
| HIMPHyperparameter selection=best on test dataset, Aggregation=10-run mean2026.01 | 64 | 41 |