Graph Neural Force Field Merging on MD22
295.51Merging Time (s)Wt Avg
Evaluation Results
| Method | Links | |
|---|---|---|
| Wt AvgBackbone=M3GNet, Scenario=Ac-Ala3-NHMe + AT-AT2026.06 | 295.51 | |
| TIESBackbone=M3GNet, Scenario=Ac-Ala3-NHMe + AT-AT2026.06 | 295.67 | |
| EMRBackbone=M3GNet, Scenario=Ac-Ala3-NHMe + AT-AT2026.06 | 304.64 | |
| GFFMergeBackbone=M3GNet, Scenario=Ac-Ala3-NHMe + AT-AT2026.06 | 323.78 | |
| FisherBackbone=M3GNet, Scenario=Ac-Ala3-NHMe + AT-AT2026.06 | 362.39 | |
| Wt AvgBackbone=M3GNet, Scenario=Ac-Ala3-NHMe + DHA + Stachyose2026.06 | 456.42 | |
| TIESBackbone=M3GNet, Scenario=Ac-Ala3-NHMe + DHA + Stachyose2026.06 | 456.68 | |
| EMRBackbone=M3GNet, Scenario=Ac-Ala3-NHMe + DHA + Stachyose2026.06 | 465.35 | |
| GFFMergeBackbone=M3GNet, Scenario=Ac-Ala3-NHMe + DHA + Stachyose2026.06 | 518.61 | |
| FisherBackbone=M3GNet, Scenario=Ac-Ala3-NHMe + DHA + Stachyose2026.06 | 568.27 | |
| Joint FTBackbone=M3GNet, Scenario=Ac-Ala3-NHMe + AT-AT2026.06 | 2,397.11 | |
| Joint FTBackbone=M3GNet, Scenario=Ac-Ala3-NHMe + DHA + Stachyose2026.06 | 6,412.42 |