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The Top 10 Molecular Dynamics Open Source Projects
Open source projects categorized as Molecular Dynamics
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Molecular Dynamics
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lammps/lammps
⭐
1,944
Public development project of the LAMMPS MD software package
dependent packages
0
total releases
0
most recent commit
over 2 years ago
deepmodeling/deepmd-kit
⭐
1,303
A deep learning package for many-body potential energy representation and molecular dynamics
dependent packages
0
total releases
0
most recent commit
over 2 years ago
openmm/openmm
⭐
1,301
OpenMM is a toolkit for molecular simulation using high performance GPU code.
dependent packages
0
total releases
0
most recent commit
over 2 years ago
MDAnalysis/mdanalysis
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1,154
MDAnalysis is a Python library to analyze molecular dynamics simulations.
dependent packages
0
total releases
0
most recent commit
over 2 years ago
FoldingAtHome/coronavirus
⭐
1,108
Folding@home COVID-19 efforts
dependent packages
0
total releases
0
most recent commit
over 5 years ago
lmmentel/awesome-python-chemistry
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971
A curated list of Python packages related to chemistry
dependent packages
0
total releases
0
most recent commit
over 2 years ago
atomistic-machine-learning/schnetpack
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688
SchNetPack - Deep Neural Networks for Atomistic Systems
dependent packages
0
total releases
0
most recent commit
over 2 years ago
QEF/q-e
⭐
524
Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.
dependent packages
0
total releases
0
most recent commit
over 2 years ago
mdtraj/mdtraj
⭐
519
An open library for the analysis of molecular dynamics trajectories
dependent packages
0
total releases
0
most recent commit
over 2 years ago
mir-group/nequip
⭐
478
NequIP is a code for building E(3)-equivariant interatomic potentials
dependent packages
0
total releases
0
most recent commit
over 2 years ago
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