Trajectory Inference on MD17 Delta T = 3000
0.849Aspirin Performance (MD17)ATOM
Evaluation results
| Method | Links | |||||||
|---|---|---|---|---|---|---|---|---|
| ATOMPrecision=float322025.10 | 0.849 | 0.259 | 0.714 | 0.467 | 0.45 | 0.341 | 0.373 | |
| Lennard-JonesPrecision=float322025.10 | 2.499 | 1.604 | 1.529 | 2.174 | 1.981 | 1.906 | 1.804 | |
| AMBERPrecision=float322025.10 | 37.746 | 38.512 | 36.806 | 38.512 | 37.621 | 38.061 | — | |
| MACE-OFFPrecision=float322025.10 | 42.605 | 39.656 | 39.782 | 39.916 | 39.62 | 40.271 | 40.166 |