Merging of Graph Neural Force Fields on MD17 Ethanol + Malonaldehyde
3.31Training Time (s)Closed Form
Evaluation Results
| Method | Links | ||
|---|---|---|---|
| Closed FormArchitecture=M3GNet2026.06 | 3.31 | — | |
| Closed FormArchitecture=Orb2026.06 | 8.25 | — | |
| Targeted Fine TuneArchitecture=M3GNet2026.06 | 48.29 | — | |
| GFFMergeArchitecture=M3GNet2026.06 | 51.6 | 5.62 | |
| Targeted Fine TuneArchitecture=Orb2026.06 | 75 | — | |
| GFFMergeArchitecture=Orb2026.06 | 83.25 | 7.11 | |
| Joint FTArchitecture=M3GNet2026.06 | 289.9 | — | |
| Joint FTArchitecture=Orb2026.06 | 591.51 | — |