15 projects
pymatgen
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://www.materialsproject.org).
pymatgen-analysis-diffusion
Add-on to pymatgen for diffusion analysis.
megnet
MatErials Graph Networks for machine learning of molecules and crystals.
monty
Monty is the missing complement to Python.
maml
maml is a machine learning library for materials science.
maml-apps-rfxas
maml-apps-rfxas is a maml add-on to perform RF analysis of X-ray Absorption Spectra.
custodian
A simple JIT job management framework in Python.
zoter
Zoter is an interface to the Zotero API.
pymatgen-diffusion
Add-on to pymatgen for diffusion analysis.
pymatgen-db
Pymatgen-db is a database add-on for the Python Materials Genomics (pymatgen) materials analysis library.
flamyngo
Flamyngo is a customizable Flask frontend for MongoDB.
pyhull
A Python wrapper to Qhull (http://www.qhull.org/) for the computation of the convex hull, Delaunay triangulation and Voronoi diagram
gamma
gamma
veidt
Veidt is a deep learning library for materials science.
symmetry
Symmetry is a library for materials symmetry analysis.
