Molecular Property Prediction
Molecular property prediction is the task of predicting the properties of a molecule from its structure.
Papers
Showing 1–10 of 354 papers
Benchmark Results
| # | Model | Metric | Claimed | Verified | Status |
|---|---|---|---|---|---|
| 1 | Deep-CBN | ROC-AUC | 99.2 | — | Unverified |
| 2 | ChemBFN | ROC-AUC | 99.18 | — | Unverified |
| 3 | Uni-Mol | ROC-AUC | 91.9 | — | Unverified |
| 4 | SPMM | ROC-AUC | 91 | — | Unverified |
| 5 | D-MPNN | ROC-AUC | 90.6 | — | Unverified |
| 6 | ChemRL-GEM | ROC-AUC | 90.1 | — | Unverified |
| 7 | N-GramXGB | ROC-AUC | 87.5 | — | Unverified |
| 8 | GAL 120B | ROC-AUC | 82.6 | — | Unverified |
| 9 | GAL 30B | ROC-AUC | 82.2 | — | Unverified |
| 10 | GROVER (base) | ROC-AUC | 81.2 | — | Unverified |