Graph Classification on BBBP (MoleculeNet) scaffold-split (test)
74.08AUROC (%)agg + I
Evaluation results
| Method | Links | |
|---|---|---|
| agg + I2026.05 | 74.08 | |
| Uni-Mol2026.05 | 72.9 | |
| GraphMVP2026.05 | 72.4 | |
| GEM2026.05 | 72.4 | |
| MolCLR2026.05 | 72.2 | |
| D-MPNN2026.05 | 71 | |
| GROVERbaseModel size=base2026.05 | 70 | |
| N-GramRFClassifier=Random Forest2026.05 | 69.7 | |
| GROVERlargeModel size=large2026.05 | 69.5 | |
| N-GramXGBClassifier=XGBoost2026.05 | 69.1 | |
| PretrainGNN2026.05 | 68.7 | |
| AttentiveFP2026.05 | 64.3 |