Boltzmann distribution approximation on Alanine dipeptide (test)
0.002KLDFlow on internal coordinates
Evaluation Results
| Method | Links | ||||
|---|---|---|---|---|---|
| Flow on internal coordinates2023.08 | 0.002 | -190.15 | 1.61 | — | |
| SPHERICAL-PROJ E-ACFprojection_scheme=Spherical2023.08 | 0.0026 | -188.57 | 48.4 | 0 | |
| CARTESIAN-PROJ E-ACFprojection_scheme=Cartesian2023.08 | 0.0035 | -188.59 | 52.5 | 0 | |
| VECTOR-PROJ E-ACFprojection_scheme=Vector2023.08 | 0.0062 | -188.56 | 19.4 | 0 | |
| E-CNF-DIFFvariant=Diffusion2023.08 | 0.0089 | -188.31 | 0.0008 | 0 | |
| E-CNF FMvariant=Flow Matching2023.08 | 0.0391 | -186.01 | 0.001 | 0 | |
| NON-E-ACFEquivariance=None2023.08 | 0.166 | -184.57 | 0.14 | 0 |