Molecular Dynamics Rollout on MD17 Ethanol + Malonaldehyde + Aspirin
93.1Force Variance (FV)TIES
Evaluation results
| Method | Links | |
|---|---|---|
| TIESArchitecture=Orb, Time steps=1000, Forward simulations=52026.06 | 93.1 | |
| Wt AvgArchitecture=Orb, Time steps=1000, Forward simulations=52026.06 | 93.9 | |
| FisherArchitecture=Orb, Time steps=1000, Forward simulations=52026.06 | 94.2 | |
| EMRArchitecture=Orb, Time steps=1000, Forward simulations=52026.06 | 96.5 | |
| Joint FT SBArchitecture=Orb, Time steps=1000, Forward simulations=52026.06 | 97.3 | |
| Joint FTArchitecture=Orb, Time steps=1000, Forward simulations=52026.06 | 97.4 | |
| GFFMergeArchitecture=Orb, Time steps=1000, Forward simulations=52026.06 | 99.7 |