Protein Conformation Generation on MD-Cath 450 K (test)
0.15Pairwise RMSD JSDMarS-FM ⊕ MDGen-20
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| MarS-FM ⊕ MDGen-20Hybrid sampling=true, Sampled trajectories size=500, Inference runs=52025.09 | 0.15 | 0.24 | 0.88 | |
| MD (Oracle)Sampled trajectories size=500, Inference runs=52025.09 | 0.16 | 0.09 | 0.9 | |
| MarS-FMSampled trajectories size=500, Inference runs=52025.09 | 0.18 | 0.28 | 0.87 | |
| MDGen-100Sampled trajectories size=500, Inference runs=52025.09 | 0.22 | 0.31 | 0.82 | |
| MDGen-20Sampled trajectories size=500, Inference runs=52025.09 | 0.38 | 0.52 | 0.85 | |
| MDGen-100Inference mode=in parallel, Sampled trajectories size=500, Inference runs=52025.09 | 0.54 | 0.58 | 0.83 | |
| BioEmuSampled trajectories size=500, Inference runs=52025.09 | 0.7 | 0.72 | 0.71 | |
| MDGen-20Inference mode=in parallel, Sampled trajectories size=500, Inference runs=52025.09 | 0.73 | 0.71 | 0.86 |