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 | MolXPT | ROC-AUC | 88.4 | — | Unverified |
| 2 | Uni-Mol | ROC-AUC | 85.7 | — | Unverified |
| 3 | ChemRL-GEM | ROC-AUC | 85.6 | — | Unverified |
| 4 | PretrainGNN | ROC-AUC | 84.5 | — | Unverified |
| 5 | SMA | ROC-AUC | 84.3 | — | Unverified |
| 6 | Deep-CBN | ROC-AUC | 83.6 | — | Unverified |
| 7 | SPMM | ROC-AUC | 83 | — | Unverified |
| 8 | GROVER (base) | ROC-AUC | 82.6 | — | Unverified |
| 9 | GROVER (large) | ROC-AUC | 81 | — | Unverified |
| 10 | D-MPNN | ROC-AUC | 80.9 | — | Unverified |