Molecular Property Prediction on 3BPA Dihedral Slices v1 (test)
7.8Energy RMSE (meV)MACE
Evaluation Results
| Method | Links | ||
|---|---|---|---|
| MACEL (Equivariant Order)=2, Implementation=mace code2022.06 | 7.8 | 16.5 | |
| MACEL (Equivariant Order)=1, Implementation=mace code2022.06 | 11.5 | 19.3 | |
| MACEL (Equivariant Order)=0, Implementation=mace code2022.06 | 12.3 | 26.1 | |
| BOTNetL (Equivariant Order)=3, Implementation=mace code2022.06 | 16.3 | 20 | |
| NequIPL (Equivariant Order)=3, Implementation=mace code2022.06 | 23.2 | 35.1 |