Coarse-grained molecular sampling on Alanine dipeptide Heavy Atom resolution
0.0075JS DivergenceCG-BGs
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| CG-BGsResolution=Heavy Atom, Reweighted=true, Training Data=Unbiased2026.02 | 0.0075 | 0.2493 | 0.2325 | |
| CG-BGsResolution=Heavy Atom, Reweighted=true, Training Data=Biased (WT-MetaD)2026.02 | 0.009 | 0.2758 | 0.1936 | |
| GB (OBC1)Model Type=Implicit Solvent Baseline (Generalized Born)2026.02 | 0.0157 | 0.3709 | — | |
| GB (OBC2)Model Type=Implicit Solvent Baseline (Generalized Born)2026.02 | 0.0182 | 0.4028 | — | |
| CG-BGsResolution=Heavy Atom, Reweighted=true, Training Data=PMFU (long unbiased MD)2026.02 | 0.0218 | 0.3611 | 0.2222 |