18 projects
pymatgen
Python Materials Genomics is a robust materials analysis code that defines core object representations for structures
monty
Monty is the missing complement to Python.
custodian
A simple JIT job management framework in Python.
matgl
MatGL is a framework for graph deep learning for materials science.
pymatgen-analysis-diffusion
Pymatgen add-on for diffusion analysis.
maml
MAterials Machine Learning (maml) is a machine learning library for materials science.
matcalc
Calculators for materials properties from the potential energy surface.
usatt
Python tools for working with the USATT website.
pymatgen-db
Pymatgen-db is a database add-on for the Python Materials Genomics (pymatgen) materials analysis library.
mgnn
MGNN is a reimplementation of MatErials Graph Network (MEGNet) and Materials 3-body Graph Networks (M3GNet) in Deep Graph Library (DGL).
m3gnet
Materials Graph with Three-body Interactions
megnet
MatErials Graph Networks for machine learning of molecules and crystals.
flamyngo
Flamyngo is a customizable Flask frontend for MongoDB.
maml-apps-rfxas
maml-apps-rfxas is a maml add-on to perform RF analysis of X-ray Absorption Spectra.
zoter
Zoter is an interface to the Zotero API.
pyhull
A Python wrapper to Qhull (http://www.qhull.org/) for the computation of the convex hull, Delaunay triangulation and Voronoi diagram
gamma
gamma
symmetry
Symmetry is a library for materials symmetry analysis.
