Molecular Dynamics Inference on MD22
44.737Ac-Ala3-NHME Performance ScoreMACE-OFF
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| MACE-OFFTimestep (ΔT)=3000, Precision=float322025.10 | 44.737 | 42.042 | 47.913 | |
| Lennard-JonesTimestep (ΔT)=3000, Precision=float322025.10 | 4.7 | 3.79 | 6.613 | |
| ATOMTimestep (ΔT)=3000, Precision=float322025.10 | 1.302 | 0.914 | 3.075 |