Molecular Property Prediction on PCBA MoleculeNet (scaffold)
88.87ROC-AUCDumplingGNN
Evaluation results
| Method | Links | |
|---|---|---|
| DumplingGNN2024.09 | 88.87 | |
| GraphMVP2024.09 | 88.5 | |
| GraphConv + dummy super nodeGraph construction=dummy super node2024.09 | 86.7 | |
| GROVER_largeModel scale=large2024.09 | 86.6 | |
| Uni-Mol2024.09 | 86.6 | |
| MolXPT2024.09 | 86.6 | |
| D-MPNN2024.09 | 86.2 | |
| N-Gram XGBClassifier=XGBoost2024.09 | 86 | |
| PretrainGNN2024.09 | 83 | |
| N-Gram RFClassifier=Random Forest2024.09 | 80.1 | |
| ChemBFN2024.09 | 79.37 | |
| MolCLR2024.09 | 79.1 | |
| GEM2024.09 | 75 |