2 papers
cs.LG2023
Internal-Coordinate Density Modelling of Protein Structure: Covariance Matters
Marloes Arts, Jes Frellsen, Wouter Boomsma
After the recent ground-breaking advances in protein structure prediction, one of the remaining challenges in protein machine learning is to reliably predict distributions of struc…
cs.LG2023
Two for One: Diffusion Models and Force Fields for Coarse-Grained Molecular Dynamics
Marloes Arts, Victor Garcia Satorras, Chin-Wei Huang +6
Coarse-grained (CG) molecular dynamics enables the study of biological processes at temporal and spatial scales that would be intractable at an atomistic resolution. However, accur…