Graph Classification on HIV MoleculeNet (scaffold-split test)
80.8AUROC (%)Uni-Mol
Evaluation results
| Method | Links | |
|---|---|---|
| Uni-Mol2026.05 | 80.8 | |
| GEM2026.05 | 80.6 | |
| PretrainGNN2026.05 | 79.9 | |
| N-GramXGBClassifier=XGBoost2026.05 | 78.7 | |
| MolCLR2026.05 | 78.1 | |
| N-GramRFClassifier=Random Forest2026.05 | 77.2 | |
| D-MPNN2026.05 | 77.1 | |
| GraphMVP2026.05 | 77 | |
| agg + I2026.05 | 76.95 | |
| AttentiveFP2026.05 | 75.7 | |
| GROVERlargeModel size=large2026.05 | 68.2 | |
| GROVERbaseModel size=base2026.05 | 62.5 |