Graph Neural Force Field Prediction on MD17 5-Task Mix
0.99Force RMSEJoint FT
Evaluation Results
| Method | Links | ||
|---|---|---|---|
| Joint FTBackbone=M3GNet2026.06 | 0.99 | 0.03 | |
| GFFMergeBackbone=M3GNet2026.06 | 1.18 | 0.04 | |
| Joint FTBackbone=M3GNet2026.06 | 1.18 | 0.03 | |
| Joint FT SBBackbone=M3GNet2026.06 | 1.4 | 0.04 | |
| GFFMergeBackbone=M3GNet2026.06 | 2.17 | 0.07 | |
| Joint FT SBBackbone=M3GNet2026.06 | 2.8 | 0.09 | |
| FisherBackbone=M3GNet2026.06 | 3.13 | 2.52 | |
| Wt AvgBackbone=M3GNet2026.06 | 3.4 | 2.44 | |
| TIESBackbone=M3GNet2026.06 | 3.54 | 2.75 | |
| EMRBackbone=M3GNet2026.06 | 3.66 | 3.78 | |
| EMRBackbone=M3GNet2026.06 | 7.82 | 12.93 | |
| Wt AvgBackbone=M3GNet2026.06 | 8.76 | 10.24 | |
| TIESBackbone=M3GNet2026.06 | 9.19 | 9.17 | |
| FisherBackbone=M3GNet2026.06 | 10.74 | 10.09 |