Initial Structure to Relaxed Energy on OC20 IS2RE (OOD-BOTH)
0.5449Energy MAE (eV)FAENET
Evaluation results
| Method | Links | ||
|---|---|---|---|
| FAENETradius cutoff=6.0, interaction layers=5, hidden dimension=3842024.06 | 0.5449 | 3.01 | |
| EQUIFORMER2024.06 | 0.5545 | 2.98 | |
| MFAENETradius cutoff=6.0, interaction layers=5, hidden dimension=3842024.06 | 0.5708 | 2.97 | |
| SEGNN2024.06 | 0.5777 | 3.09 | |
| COMENET2024.06 | 0.5901 | 2.83 | |
| SPHERENET2024.06 | 0.619 | 2.7 | |
| DIMENET++2024.06 | 0.6615 | 3.21 | |
| GEMNET-T2024.06 | 0.6964 | 2.38 | |
| SCHNET2024.06 | 0.7035 | 2.38 |