Molecular Property Prediction on MD17 Uracil
0.095MAE Forces (kcal/mol/Å)ET
Evaluation Results
| Method | Links | ||
|---|---|---|---|
| ETTraining Samples=1000, Evaluation=Averaged over three random splits2022.02 | 0.095 | 0.095 | |
| PaiNNTraining Samples=10002022.02 | 0.139 | 0.106 | |
| NequIPTraining Samples=10002022.02 | 0.173 | — | |
| PhysNetTraining Samples=10002022.02 | 0.218 | 0.108 | |
| DimeNetTraining Samples=10002022.02 | 0.301 | 0.115 | |
| SchNetTraining Samples=10002022.02 | 0.56 | 0.14 |