Molecular Property Prediction on MD17 Salicylic Acid
0.129MAE Forces (kcal/mol/Å)ET
Evaluation Results
| Method | Links | ||
|---|---|---|---|
| ETTraining Samples=1000, Evaluation=Averaged over three random splits2022.02 | 0.129 | 0.093 | |
| PaiNNTraining Samples=10002022.02 | 0.195 | 0.116 | |
| NequIPTraining Samples=10002022.02 | 0.238 | — | |
| PhysNetTraining Samples=10002022.02 | 0.337 | 0.126 | |
| DimeNetTraining Samples=10002022.02 | 0.374 | 0.134 | |
| SchNetTraining Samples=10002022.02 | 0.85 | 0.2 |