Python Materials Genomics 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 (https://materialsproject.org).
Calculators for materials properties from the potential energy surface.
Monty is the missing complement to Python.
maml is a machine learning library for materials science.
MatGL (Materials Graph Library) is a framework for graph deep learning for materials science.
Add-on to pymatgen for diffusion analysis.
A simple JIT job management framework in Python.
Pymatgen-db is a database add-on for the Python Materials Genomics (pymatgen) materials analysis library.
MGNN is a reimplementation of MatErials Graph Network (MEGNet) and Materials 3-body Graph Networks (M3GNet) in Deep Graph Library (DGL).
Materials Graph with Three-body Interactions
MatErials Graph Networks for machine learning of molecules and crystals.
Flamyngo is a customizable Flask frontend for MongoDB.
maml-apps-rfxas is a maml add-on to perform RF analysis of X-ray Absorption Spectra.
Zoter is an interface to the Zotero API.
A Python wrapper to Qhull (http://www.qhull.org/) for the computation of the convex hull, Delaunay triangulation and Voronoi diagram
Symmetry is a library for materials symmetry analysis.