Molecular property prediction on MoleculeNet ClinTox (test)
99.4ROC-AUCSPD-Sheaf
Evaluation results
| Method | Links | |
|---|---|---|
| SPD-Sheaf2026.04 | 99.4 | |
| EGNN2026.04 | 98.6 | |
| SchNet2026.04 | 97.8 | |
| Mol-GDL2026.04 | 96.6 | |
| SMPT2026.04 | 92.7 | |
| Uni-Mol2026.04 | 91.9 | |
| MolCLR2026.04 | 91.2 | |
| D-MPNN2026.04 | 90.6 | |
| GEM2026.04 | 90.1 | |
| N-GramClassifier=XGB2026.04 | 87.5 | |
| AttentiveFP2026.04 | 84.7 | |
| GROVEModel Variant=base2026.04 | 81.2 | |
| GraphMVP2026.04 | 79.1 | |
| N-GramClassifier=RF2026.04 | 77.5 | |
| GROVEModel Variant=large2026.04 | 76.2 | |
| PretrainGNN2026.04 | 72.6 |