Molecular Dynamics Simulation Stability on MD17 5-Task Mix
0Energy Variance (EV)GFFMERGE
Evaluation results
| Method | Links | ||
|---|---|---|---|
| GFFMERGEArchitecture=M3GNet, Simulation Steps=1000-step2026.06 | 0 | 0.562 | |
| Joint FTArchitecture=M3GNet, Simulation Steps=1000-step2026.06 | 0 | 0.527 | |
| Wt AvgArchitecture=M3GNet, Simulation Steps=1000-step2026.06 | 0 | 0.652 | |
| FisherArchitecture=M3GNet, Simulation Steps=1000-step2026.06 | 0 | 0.653 | |
| TIESArchitecture=M3GNet, Simulation Steps=1000-step2026.06 | 0 | 0.663 | |
| EMRArchitecture=M3GNet, Simulation Steps=1000-step2026.06 | 0 | 0.759 |