Protein Conformation Generation on MD-Cath 320K 1.0 (500 conformations)
0.58Pairwise RMSDBioEmu
Evaluation results
| Method | Links | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| BioEmuSampling conformations=500, Inference runs=52025.09 | 0.58 | 0.63 | 0.84 | 2.67 | 0.36 | 0.94 | 0.15 | 0.25 | 0.83 | |
| MDGen-20Parallel execution=false, Sampling conformations=500, Inference runs=52025.09 | 0.79 | 0.75 | 0.79 | 1.3 | 0.19 | 0.78 | 0.15 | 0.19 | 1.1 | |
| MDGen-100Parallel execution=false, Sampling conformations=500, Inference runs=52025.09 | 0.82 | 0.78 | 0.81 | 1.5 | 0.2 | 0.76 | 0.13 | 0.18 | 0.77 | |
| MDGen-20Parallel execution=true, Sampling conformations=500, Inference runs=52025.09 | 0.83 | 0.81 | 0.85 | 2.1 | 0.21 | 0.71 | 0.09 | 0.18 | 1.1 | |
| MDGen-100Parallel execution=true, Sampling conformations=500, Inference runs=52025.09 | 0.87 | 0.83 | 0.87 | 1.6 | 0.18 | 0.44 | 0.07 | 0.14 | 0.64 | |
| MD (Oracle)Sampling conformations=500, Inference runs=52025.09 | 0.9 | 0.88 | 0.91 | 0.82 | 0.1 | 0.37 | 0.05 | 0.13 | 0.32 | |
| MarS-FMSampling conformations=500, Inference runs=52025.09 | 0.9 | 0.87 | 0.9 | 0.72 | 0.14 | 0.68 | 0.12 | 0.14 | 0.58 | |
| MarS-FM ⊕ MDGen-20Method hybridization=MDGen-20, Sampling conformations=500, Inference runs=52025.09 | 0.91 | 0.87 | 0.89 | 0.74 | 0.13 | 0.46 | 0.09 | 0.1 | 0.62 |