Kohei Shinohara's repositories
crystal-symmetry-primer
Primer of crystal symmetry and space group
torch-m3gnet
PyTorch/PyG implementation of M3GNet
atomman-gb
Grain-boundary generator with Atomman
aiida-lammps
LAMMPS plugin for AiiDA
aiida-plugin-cutter
Cookie cutter recipe for AiiDA plugins.
aiida-vasp
A plugin to AiiDA for running simulations with VASP
alamode
Ab initio simulator for thermal transport and lattice anharmonicity
atomman
Atomistic Manipulation Toolkit
lammps-mlip-package
A user package of LAMMPS software enabling simulations using linearized machine learning potentials
miniMD
MiniMD Molecular Dynamics Mini-App
nglview
Jupyter widget to interactively view molecular structures and trajectories
ostep-projects
Projects for an undergraduate OS course
parsevasp
A general parser for VASP
phonopy
Phonon code
plotly.py
The interactive graphing library for Python :sparkles: This project now includes Plotly Express!
pyblock
python module for performing blocking analysis on data containing serial correlations
pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
PyXtal
A code to generate atomic structure with symmetry
sphinx-autodoc2
A Sphinx extension that automatically generates API documentation for your Python packages.
xv6-public
xv6 OS