molecular-dynamics

openmm/openmm

+14

OpenMM is a toolkit for molecular simulation using high performance GPU code.

deepmd-kit

+9

A deep learning package for many-body potential energy representation and molecular dynamics

lammps/lammps

+8

Public development project of the LAMMPS MD software package

mdanalysis

+5

MDAnalysis is a Python library to analyze molecular dynamics simulations.

MolecularNodes

+3

Toolbox for molecular animations in Blender, powered by Geometry Nodes.