2 results found Sort:

psipred
cgdms psipred
4
53
mit
8
Differentiable molecular simulation of proteins with a coarse-grained potential
protein potential force-field coarse-grained automatic-differentiation
Created 2021-02-03
50 commits to master branch, last one 2 years ago
GMPavanLab
Swarm-CG GMPavanLab
11
43
mit
7
Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-Tuning Particle Swarm Optimization
gromacs cg-model swarm-cg bonded-terms optimization coarse-grained coarse-graining bonded-parameters molecular-dynamics molecular-modeling optimization-tools
Created 2020-06-09
111 commits to develop branch, last one 3 years ago