Tinaatucsd

mpmorph

MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently under development. It relies heavily on tools developed by the Materials Project (pymatgen, custodian, fireworks) and atomate.

glassie

atomate

atomate is a powerful software for computational materials science and contains pre-built workflows.

atomate2

atomate2 is a library of computational materials science workflows

emmet

Be a master builder of databases of material properties. Avoid the Kragle.

fireworks

The Fireworks Workflow Management Repo.

GB_octonion_code

Tutorial code for performing a variety of grain boundary computations including conversions between grain boundary representations, grain boundary distance calculations and grain boundary interpolation.

maggma

MongoDB aggregation machine

maml

Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.

MPContribs

MP's User Contribution Framework

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 is currently the core analysis code powering the Materials Project.

pymatgen-db

Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the creation of Materials Project-style databases for management of materials data.

pymatgen-diffusion

This add-on to pymatgens provides tools for analyzing diffusion in materials.

pymatviz

A toolkit for visualizations in materials informatics.

python-citrination-client

Reference implementation in python for Citrination api