lammps topic
pylammpsmpi
Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook
dftfit
Interatomic potential creating using DFT training data.
CabanaMD
Molecular dynamics proxy application based on Cabana
ExaMiniMD
Molecular dynamics proxy application based on Kokkos
aces
A wrapper for many computational codes of thermal conductivity
atomify
Real time molecular dynamics in the browser using LAMMPS
vipster
Visualization and editing of periodic molecular structure files.
GDPy
Generating Deep Potential with Python
ai2-kit
A toolkit featured artificial intelligence × ab initio for computational chemistry research.
playmol
Playmol is a(nother) software for building molecular models