Protein conformational sampling on MD-Cath 450K S20 homology level (test)
0.82Pairwise RMSD (Pearson r)MD (Oracle)
Evaluation results
| Method | Links | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| MD (Oracle)Type=Oracle2025.09 | 0.82 | 0.82 | 0.9 | 0.58 | 0.07 | 0.61 | 0.07 | 0.19 | 0.9 | |
| MarS-FM2025.09 | 0.65 | 0.71 | 0.89 | 0.55 | 0.1 | 0.93 | 0.13 | 0.19 | 1.05 | |
| MarS-FM ⊕ MDGen-20Hybrid configuration=MarS-FM combined with MDGen-202025.09 | 0.63 | 0.69 | 0.83 | 0.98 | 0.13 | 0.73 | 0.11 | 0.24 | 1.02 | |
| MDGen-20 (in parallel)window size K=20, sampling protocol=in parallel2025.09 | 0.43 | 0.55 | 0.7 | 2.71 | 0.26 | 2.96 | 0.28 | 0.46 | 3.68 | |
| MDGen-100window size K=100, sampling protocol=sequential2025.09 | 0.42 | 0.49 | 0.64 | 1.13 | 0.15 | 1.17 | 0.18 | 0.29 | 1.21 | |
| MDGen-100 (in parallel)window size K=100, sampling protocol=in parallel2025.09 | 0.42 | 0.54 | 0.69 | 2.15 | 0.22 | 1.83 | 0.2 | 0.39 | 2.14 | |
| MDGen-20window size K=20, sampling protocol=sequential2025.09 | 0.4 | 0.38 | 0.38 | 0.89 | 0.2 | 1.85 | 0.3 | 0.43 | 1.44 | |
| BioEmu2025.09 | 0.25 | 0.41 | 0.66 | 3.83 | 0.4 | 4.17 | 0.41 | 0.51 | 4.67 |