Two for One: Diffusion Models and Force Fields for Coarse-Grained Molecular Dynamics

no code implementations • 1 Feb 2023 • Marloes Arts, Victor Garcia Satorras, Chin-wei Huang, Daniel Zuegner, Marco Federici, Cecilia Clementi, Frank Noé, Robert Pinsler, Rianne van den Berg

Coarse-grained (CG) molecular dynamics enables the study of biological processes at temporal and spatial scales that would be intractable at an atomistic resolution.

Protein Folding