3 results found Sort:

psipred
cgdms psipred
4
55
mit
7
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 3 years ago
GMPavanLab
Swarm-CG GMPavanLab
12
45
mit
6
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 4 years ago
MikkelDA
COBY MikkelDA
4
26
apache-2.0
4
COBY (Coarse Grained System Builder) can be used to create coarse-grained systems in Martini 3
martini3 coarse-grained system-builder coarse-grained-molecular-dynamics
Created 2023-05-29
288 commits to master branch, last one a day ago