Molecular Dynamics Rollout on MD17 Aspirin + Uracil
99.7Fidelity Value (FV)GFFMerge
Evaluation Results
| Method | Links | |
|---|---|---|
| GFFMergeArchitecture=Orb, Time steps=1000, Forward simulations=52026.06 | 99.7 | |
| Wt AvgArchitecture=Orb, Time steps=1000, Forward simulations=52026.06 | 98.4 | |
| FisherArchitecture=Orb, Time steps=1000, Forward simulations=52026.06 | 98.4 | |
| EMRArchitecture=Orb, Time steps=1000, Forward simulations=52026.06 | 97.8 | |
| Joint FT SBArchitecture=Orb, Time steps=1000, Forward simulations=52026.06 | 97.1 | |
| Joint FTArchitecture=Orb, Time steps=1000, Forward simulations=52026.06 | 97 | |
| TIESArchitecture=Orb, Time steps=1000, Forward simulations=52026.06 | 96.5 |