Coarse Grained Molecular Dynamics Python Packages

coby

COBY (Coarse Grained System Builder) can be used to create coarse-grained systems in Martini 3

moltemplate

A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies

torchmd

End-To-End Molecular Dynamics (MD) Engine using PyTorch

pycgtool

Generate coarse-grained molecular dynamics models from atomistic trajectories.

smc-lammps

LAMMPS code to simulate loop extrusion of DNA by SMC complexes

cg-openmm

Tools to build coarse grained models and perform simulations with OpenMM