Force and Energy Prediction on MD17 Ethanol + Malon. + Aspirin
0.7757Force ErrorJoint FT
Evaluation Results
| Method | Links | ||
|---|---|---|---|
| Joint FTStrategy=Joint Fine-Tuning, Precision=Full precision2026.06 | 0.7757 | 0.0304 | |
| Joint FTPrecision=Full Precision2026.06 | 0.7757 | 0.0304 | |
| Joint FTBackbone=M3GNet2026.06 | 0.78 | 0.03 | |
| GFFMERGEBackbone=M3GNet2026.06 | 0.89 | 0.04 | |
| GFFMERGEMerging Strategy=GFFMERGE, Precision=Full precision2026.06 | 0.8916 | 0.0357 | |
| GFFMERGEPrecision=Full Precision2026.06 | 0.8916 | 0.0357 | |
| FisherBackbone=M3GNet2026.06 | 2.27 | 2.87 | |
| EMRBackbone=M3GNet2026.06 | 2.27 | 0.75 | |
| Weight AveragingMerging Strategy=Weight Averaging, Precision=Full precision2026.06 | 2.5272 | 2.4204 | |
| Wt AveragingBackbone=M3GNet2026.06 | 2.53 | 2.42 | |
| TIESBackbone=M3GNet2026.06 | 3.65 | 2.52 | |
| TIESPrecision=Full Precision2026.06 | 3.6535 | 2.5237 |