Molecular Property Prediction on 3BPA 600 K v1 (test)
9.7Energy RMSEMACE
Evaluation Results
| Method | Links | ||
|---|---|---|---|
| MACEL (Equivariant Order)=2, Implementation=mace code2022.06 | 9.7 | 21.8 | |
| MACEL (Equivariant Order)=1, Implementation=mace code2022.06 | 9.9 | 24.6 | |
| NequIPL (Equivariant Order)=3, Implementation=nequip [5]2022.06 | 11.2 | 26.4 | |
| NequIPL (Equivariant Order)=3, Implementation=mace code2022.06 | 11.3 | 27.3 | |
| BOTNetL (Equivariant Order)=3, Implementation=mace code2022.06 | 11.5 | 26.7 | |
| AllegroL (Equivariant Order)=3, Implementation=allegro [36]2022.06 | 12.07 | 29.17 | |
| MACEL (Equivariant Order)=0, Implementation=mace code2022.06 | 13.7 | 33.3 |