Materials Project

pymatgen

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.

fireworks

The Fireworks Workflow Management Repo.

atomate2

atomate2 is a library of computational materials science workflows

crystaltoolkit

Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.

matbench

Matbench: Benchmarks for materials science property prediction

custodian

A simple, robust and flexible just-in-time job management framework in Python.

api

New API client for the Materials Project

reaction-network

Reaction Network is a Python package for predicting likely inorganic chemical reaction pathways using graph theoretical methods. Project led by @mattmcdermott (formerly at Berkeley Lab).

workshop

The Materials Project Workshop Curriculum

jobflow

jobflow is a library for writing computational workflows.

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.

emmet

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

pymatgen-analysis-defects

Defect analysis modules for pymatgen

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.

maggma

Building blocks for scientific data pipelines

pyrho

MPContribs

Platform for materials scientists to contribute and disseminate their materials data through Materials Project

dash-mp-components

Plotly Dash components developed by the Materials Project

mp-react-components

A suite of React components for the Materials Project, developed for use in Crystal Toolkit and the Materials Project public website.

foundation

pymatgen-analysis-alloys

pymatgen-analysis-alloys is an add-on package for pymatgen intended to contain useful classes for describing alloy systems and analyzing data relevant to these systems.

pymatgen-io-validation

Comprehensive input/output validator. Made with the purpose of ensuring VASP calculations are compatible with Materials Project data, with possible future expansion to cover other DFT codes.

public-docs

The latest documentation for the Materials Project.

mongogrant

grant username and password credentials for roles on mongo databases via email verification

pymatgen-addon-template

A template for writing add-on namespace packages for pymatgen

MPCite

Continuous and High-Throughput Allocation of Digital Object Identifiers for Materials Data in the Materials Project

.github

binder

A ready-to-use environment for trying the Materials Project software stack based on the Binder (https://mybinder.org) service.

status

Status page for Materials Project website and services

MPShips

app gallery and template for contributed apps