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Discover 7 open source projects
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lammps/lammps
LAMMPS is an open-source molecular dynamics simulation software package for researchers and developers working in computational chemistry and physics.
deepmodeling/deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
openmm/openmm
OpenMM is a high-performance GPU-accelerated toolkit for molecular simulation and dynamics.
MDAnalysis/mdanalysis
A Python library to analyze molecular dynamics simulations.
lmmentel/awesome-python-chemistry
A curated list of Python packages for chemistry, including computational chemistry, molecular dynamics, and quantum chemistry.
BradyAJohnston/MolecularNodes
A Python-based toolbox for creating molecular animations in Blender, powered by Geometry Nodes.
FoldingAtHome/coronavirus
A COVID-19 research project that uses molecular dynamics simulations to understand the SARS-CoV-2 virus.
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