Popular repositories Loading

1. polyhedron_distortion polyhedron_distortion Public archive

   Python 11 5

2. pydefect pydefect Public

   Forked from kumagai-group/pydefect

   Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.

   Python 1 1

3. SMACT SMACT Public

   Forked from WMD-group/SMACT

   Python package to aid materials design

   Python

4. pymatgen pymatgen Public

   Forked from materialsproject/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 i…

   HTML

5. unlockNN unlockNN Public

   Forked from a-ws-m/unlockNN

   A Python package for adding uncertainties to neural network models of chemical systems.

   Python

6. systemfiles systemfiles Public

   Nix