Trajectory Inference on MD17 Delta T = 10000
2.554Aspirin ErrorATOM
Evaluation results
| Method | Links | |||||||
|---|---|---|---|---|---|---|---|---|
| ATOMPrecision=float322025.10 | 2.554 | 1.002 | 1.634 | 1.098 | 1.116 | 0.964 | 0.99 | |
| Lennard-JonesPrecision=float322025.10 | 7.797 | 5.533 | 5.167 | 7.453 | 6.721 | 6.477 | 5.921 | |
| AMBERPrecision=float322025.10 | 133.9 | 128.385 | 121.095 | 121.607 | 120.319 | 120.8 | — | |
| MACE-OFFPrecision=float322025.10 | 143.413 | 142.569 | 136.38 | 140.288 | 140.103 | 140.372 | 141.598 |