Molecular Property Prediction on COMPAS-3X
1.103U0 (eV)HDC
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| HDCrepetitions=5, hyperparameters=shared2026.04 | 1.103 | 0.156 | 0.048 | |
| AtomPairrepetitions=5, hyperparameters=shared2026.04 | 77.317 | 0.217 | 0.051 | |
| Torsionrepetitions=5, hyperparameters=shared2026.04 | 88.09 | 0.177 | 0.051 | |
| Morganrepetitions=5, hyperparameters=shared2026.04 | 96.695 | 0.088 | 0.035 | |
| RDKitrepetitions=5, hyperparameters=shared2026.04 | 133.592 | 0.226 | 0.054 |