Graph Neural Force Field Prediction on MD17 Eth+Mal+Asp
1.07Force RMSEJoint FT
Evaluation Results
| Method | Links | ||
|---|---|---|---|
| Joint FTBackbone=M3GNet2026.06 | 1.07 | 0.04 | |
| GFFMergeBackbone=M3GNet2026.06 | 1.22 | 0.05 | |
| Joint FTBackbone=M3GNet2026.06 | 1.41 | 0.05 | |
| Joint FT SBBackbone=M3GNet2026.06 | 1.67 | 0.07 | |
| GFFMergeBackbone=M3GNet2026.06 | 2.05 | 0.07 | |
| FisherBackbone=M3GNet2026.06 | 3.39 | 2.9 | |
| EMRBackbone=M3GNet2026.06 | 3.42 | 1.21 | |
| Wt AvgBackbone=M3GNet2026.06 | 3.63 | 2.44 | |
| Joint FT SBBackbone=M3GNet2026.06 | 4.16 | 0.17 | |
| TIESBackbone=M3GNet2026.06 | 5.13 | 2.6 | |
| Wt AvgBackbone=M3GNet2026.06 | 7.6 | 10.61 | |
| FisherBackbone=M3GNet2026.06 | 8 | 10.55 | |
| EMRBackbone=M3GNet2026.06 | 9.41 | 2.37 | |
| TIESBackbone=M3GNet2026.06 | 11.61 | 12.15 |