14 projects
flamyngo
Flamyngo is a customizable Flask frontend for MongoDB.
m3gnet
Materials Graph with Three-body Interactions
custodian
A simple JIT job management framework in Python.
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-db
Pymatgen-db is a database add-on for the Python Materials Genomics (pymatgen) materials analysis library.
maml
maml is a machine learning library for materials science.
monty
Monty is the missing complement to Python.
megnet
MatErials Graph Networks for machine learning of molecules and crystals.
pymatgen-analysis-diffusion
Add-on to pymatgen for diffusion analysis.
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.