Initial Structure to Relaxed Energy on OC20 IS2RE (OOD Ads)
0.6682Energy MAE (eV)SphereNet
Evaluation Results
| Method | Links | ||
|---|---|---|---|
| SphereNetTraining Dataset=All, Approach=Direct2021.02 | 0.6682 | 2.7 | |
| SchNetTraining Dataset=All, Approach=Direct2021.02 | 0.7074 | 2.22 | |
| DimeNet++Training Dataset=All, Approach=Direct2021.02 | 0.7127 | 2.48 | |
| GemNet-TTraining Dataset=All, Approach=Direct2021.02 | 0.7342 | 2.24 | |
| CGCNNTraining Dataset=All, Approach=Direct2021.02 | 0.7426 | 2.11 |