Rollout Simulation on MD17 Aspirin+Uracil
0Energy Variance (EV)GFFMerge
Evaluation results
| Method | Links | ||
|---|---|---|---|
| GFFMergeBackbone=M3GNet, Time Steps=1000, Forward Simulations=52026.06 | 0 | 50 | |
| Joint FT SBBackbone=M3GNet, Time Steps=1000, Forward Simulations=52026.06 | 0 | 57 | |
| Joint FTBackbone=M3GNet, Time Steps=1000, Forward Simulations=52026.06 | 0 | 49 | |
| FisherBackbone=M3GNet, Time Steps=1000, Forward Simulations=52026.06 | 0 | 56 | |
| Wt AvgBackbone=M3GNet, Time Steps=1000, Forward Simulations=52026.06 | 0 | 54 | |
| EMRBackbone=M3GNet, Time Steps=1000, Forward Simulations=52026.06 | 0 | 65 | |
| TIESBackbone=M3GNet, Time Steps=1000, Forward Simulations=52026.06 | 0 | 70 |