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    56 repositories

    • pymatgen

      Public
      Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic stru…
      pythonsciencematerials
      pythonsciencematerialsmaterials-sciencematerials-informatics
      Python
      •
      Other
      •958•1.9k•141•3•Updated Jul 10, 2026Jul 10, 2026

    • MPContribs

      Public
      Platform for materials scientists to contribute and disseminate their materials data through Materials Project
      pythondockerflask
      pythondockerflaskdjangowebpackmongodbjupyterswaggermarshmallowkong
      Python
      •
      MIT License
      •26•40•21•4•Updated Jul 10, 2026Jul 10, 2026

    • emmet

      Public
      Be a master builder of databases of material properties. Avoid the Kragle.
      Python
      •
      Other
      •85•68•7•3•Updated Jul 9, 2026Jul 9, 2026

    • crystaltoolkit

      Public
      Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.
      Python
      •
      Other
      •69•199•58•15•Updated Jul 9, 2026Jul 9, 2026

    • maggma

      Public
      Building blocks for scientific data pipelines
      Python
      •
      Other
      •36•43•35•6•Updated Jul 8, 2026Jul 8, 2026

    • jobflow

      Public
      jobflow is a library for writing computational workflows.
      workflows
      workflows
      Python
      •
      Other
      •38•122•34•8•Updated Jul 6, 2026Jul 6, 2026

    • custodian

      Public
      A simple, robust and flexible just-in-time job management framework in Python.
      Python
      •
      MIT License
      •116•183•22•1•Updated Jul 6, 2026Jul 6, 2026

    • pymatgen-addon-template

      Public template
      A template for writing add-on namespace packages for pymatgen
      Python
      •1•6•0•1•Updated Jul 6, 2026Jul 6, 2026

    • pymatgen-db

      Public
      Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the creation of Materials …
      Python
      •
      MIT License
      •40•52•2•1•Updated Jul 6, 2026Jul 6, 2026

    • atomate2

      Public
      atomate2 is a library of computational materials science workflows
      automationdftvasp
      automationdftvaspmaterials-sciencehigh-throughput
      Python
      •
      Other
      •153•325•41•13•Updated Jul 6, 2026Jul 6, 2026

    • pymatgen-core

      Public
      Pymatgen Core
      sciencematerialsdft
      sciencematerialsdftanalysis
      HTML
      •
      Other
      •29•21•2•4•Updated Jul 2, 2026Jul 2, 2026

    • fireworks

      Public
      The Fireworks Workflow Management Repo.
      Python
      •
      Other
      •192•423•62•11•Updated Jun 30, 2026Jun 30, 2026

    • pymatgen-analysis-defects

      Public
      Defect analysis modules for pymatgen
      Python
      •
      Other
      •17•67•2•2•Updated Jun 29, 2026Jun 29, 2026

    • pyrho

      Public
      Python
      •
      Other
      •10•41•3•4•Updated Jun 28, 2026Jun 28, 2026

    • api

      Public
      New API client for the Materials Project
      Python
      •
      Other
      •55•175•7•1•Updated Jun 24, 2026Jun 24, 2026

    • dash-mp-components

      Public
      Plotly Dash components developed by the Materials Project
      Python
      •
      Other
      •5•32•1•6•Updated Jun 11, 2026Jun 11, 2026

    • mp-react-components

      Public
      A suite of React components for the Materials Project, developed for use in Crystal Toolkit and the Materials Project public website.
      TypeScript
      •14•31•34•17•Updated Jun 11, 2026Jun 11, 2026

    • reaction-network

      Public
      Reaction Network is a Python package for predicting likely inorganic chemical reaction pathways using graph theoretical methods. Project led by @mattmcdermott (…
      pythonchemistrysimulation
      pythonchemistrysimulationreactionsreaction-networkmaterials-science
      Python
      •
      Other
      •27•127•5•1•Updated Jun 10, 2026Jun 10, 2026

    • public-docs

      Public
      The latest documentation for the Materials Project.
      23•15•0•1•Updated Jun 9, 2026Jun 9, 2026

    • MPShips

      Public
      app gallery and template for contributed apps
      Python
      •
      MIT License
      •4•0•0•1•Updated May 26, 2026May 26, 2026

    • pymatgen-io-validation

      Public
      Comprehensive input/output validator. Made with the purpose of ensuring VASP calculations are compatible with Materials Project data, with possible future expan…
      Python
      •
      Other
      •3•16•0•0•Updated May 15, 2026May 15, 2026

    • pymatgen-analysis-alloys

      Public
      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 …
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •6•19•1•0•Updated Apr 24, 2026Apr 24, 2026

    • kong-grant-proxy-oauth

      Public
      Kong plugin to authenticate against Grant OAuth Proxy Server
      oauthkonggrant
      oauthkonggrantkong-plugin
      Lua
      •
      Apache License 2.0
      •1•0•0•1•Updated Apr 13, 2026Apr 13, 2026

    • .github

      Public
      1•3•0•0•Updated Mar 16, 2026Mar 16, 2026

    • pymatgen-test-files

      Public
      Test Files for Pymatgen
      Polar
      •
      MIT License
      •2•0•0•1•Updated Feb 24, 2026Feb 24, 2026

    • qcflow

      Public
      Python
      •
      Other
      •1•0•0•0•Updated Nov 25, 2025Nov 25, 2025

    • MPCite

      Public
      Continuous and High-Throughput Allocation of Digital Object Identifiers for Materials Data in the Materials Project
      Jupyter Notebook
      •
      Other
      •4•5•4•3•Updated Nov 24, 2025Nov 24, 2025

    • foundation

      Public
      Ruby
      •
      MIT License
      •6•17•4•4•Updated Mar 24, 2025Mar 24, 2025

    • matbench

      Public
      Matbench: Benchmarks for materials science property prediction
      data-sciencebenchmarkmachine-learning
      data-sciencebenchmarkmachine-learningchemistryphysicsmachine-learning-algorithmsmaterials-sciencecondensed-matter
      Python
      •
      MIT License
      •62•210•32•23•Updated Aug 20, 2024Aug 20, 2024

    • mpmorph

      Public
      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 relie…
      Python
      •
      Other
      •33•75•0•1•Updated Feb 28, 2024Feb 28, 2024
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