Force and Energy Prediction on MD17 Ethanol + Malonaldehyde
0.6462Force ErrorJoint FT
Evaluation Results
| Method | Links | ||
|---|---|---|---|
| Joint FTStrategy=Joint Fine-Tuning, Precision=Full precision2026.06 | 0.6462 | 0.0289 | |
| Joint FTPrecision=Full Precision2026.06 | 0.6462 | 0.0289 | |
| Joint FTBackbone=M3GNet2026.06 | 0.65 | 0.03 | |
| GFFMERGEBackbone=M3GNet2026.06 | 0.73 | 0.03 | |
| GFFMERGEMerging Strategy=GFFMERGE, Precision=Full precision2026.06 | 0.733 | 0.0332 | |
| GFFMERGEPrecision=Full Precision2026.06 | 0.733 | 0.0332 | |
| EMRBackbone=M3GNet2026.06 | 1.33 | 0.52 | |
| Wt AveragingBackbone=M3GNet2026.06 | 1.9 | 1.6 | |
| Weight AveragingMerging Strategy=Weight Averaging, Precision=Full precision2026.06 | 1.9023 | 1.5993 | |
| FisherBackbone=M3GNet2026.06 | 1.97 | 2.23 | |
| TIESPrecision=Full Precision2026.06 | 3.7683 | 2.762 | |
| TIESBackbone=M3GNet2026.06 | 3.77 | 2.76 |