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    52 repositories

    • api

      Public
      New API client for the Materials Project
      Python
      •
      Other
      •49•129•22•4•Updated Mar 5, 2025Mar 5, 2025

    • maggma

      Public
      Building blocks for scientific data pipelines
      Python
      •
      Other
      •34•39•39•7•Updated Mar 5, 2025Mar 5, 2025

    • MPContribs

      Public
      Platform for materials scientists to contribute and disseminate their materials data through Materials Project
      pythondockerflaskdjangowebpackmongodbjupytermarshmallowkongmongoengine
      Jupyter Notebook
      •
      MIT License
      •25•37•22•8•Updated Mar 5, 2025Mar 5, 2025

    • 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
      •62•163•59•17•Updated Mar 5, 2025Mar 5, 2025

    • jobflow

      Public
      jobflow is a library for writing computational workflows.
      workflows
      Python
      •
      Other
      •28•99•23•17•Updated Mar 3, 2025Mar 3, 2025

    • pymatgen

      Public
      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.
      sciencematerialsmaterials-sciencematerials-informaticspython
      Python
      •
      Other
      •884•1.6k•198•39•Updated Mar 3, 2025Mar 3, 2025

    • custodian

      Public
      A simple, robust and flexible just-in-time job management framework in Python.
      Python
      •
      MIT License
      •111•147•23•6•Updated Mar 3, 2025Mar 3, 2025

    • pymatgen-analysis-defects

      Public
      Defect analysis modules for pymatgen
      Python
      •
      Other
      •12•47•1•1•Updated Mar 3, 2025Mar 3, 2025

    • 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 Project-style databases for management of materials data.
      Python
      •
      MIT License
      •40•49•2•3•Updated Mar 3, 2025Mar 3, 2025

    • public-docs

      Public
      The latest documentation for the Materials Project.
      18•8•0•0•Updated Mar 3, 2025Mar 3, 2025

    • emmet

      Public
      Be a master builder of databases of material properties. Avoid the Kragle.
      Python
      •
      Other
      •70•56•42•15•Updated Mar 3, 2025Mar 3, 2025

    • pyrho

      Public
      Python
      •
      Other
      •8•39•2•3•Updated Mar 3, 2025Mar 3, 2025

    • 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 expansion to cover other DFT codes.
      Python
      •
      Other
      •3•13•0•10•Updated Mar 3, 2025Mar 3, 2025

    • atomate2

      Public
      atomate2 is a library of computational materials science workflows
      automationdftvaspmaterials-sciencehigh-throughput
      Python
      •
      Other
      •107•194•41•37•Updated Mar 3, 2025Mar 3, 2025

    • reaction-network

      Public
      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).
      pythonchemistrysimulationreactionsreaction-networkmaterials-science
      Python
      •
      Other
      •21•103•3•0•Updated Feb 4, 2025Feb 4, 2025

    • fireworks

      Public
      The Fireworks Workflow Management Repo.
      Python
      •
      Other
      •189•377•62•14•Updated Jan 22, 2025Jan 22, 2025

    • foundation

      Public
      Ruby
      •
      MIT License
      •6•17•4•6•Updated Jan 13, 2025Jan 13, 2025

    • pymatgen-addon-template

      Public template
      A template for writing add-on namespace packages for pymatgen
      Python
      •2•6•0•1•Updated Jan 6, 2025Jan 6, 2025

    • dash-mp-components

      Public
      Plotly Dash components developed by the Materials Project
      Python
      •
      Other
      •4•26•1•6•Updated Dec 16, 2024Dec 16, 2024

    • 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
      •9•20•33•12•Updated Dec 9, 2024Dec 9, 2024

    • MPShips

      Public
      app gallery and template for contributed apps
      Python
      •
      MIT License
      •3•0•0•1•Updated Nov 21, 2024Nov 21, 2024

    • 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 systems.
      Python
      •7•13•3•0•Updated Oct 9, 2024Oct 9, 2024

    • matbench

      Public
      Matbench: Benchmarks for materials science property prediction
      data-sciencebenchmarkchemistryphysicsmachine-learning-algorithmsmaterials-sciencecondensed-mattermachine-learning
      Python
      •
      MIT License
      •49•143•32•19•Updated Aug 20, 2024Aug 20, 2024

    • .github

      Public
      1•3•0•0•Updated Jun 27, 2024Jun 27, 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 relies heavily on tools developed by the Materials Project (pymatgen, custodian, fireworks) and atomate.
      Python
      •
      Other
      •34•67•0•1•Updated Feb 28, 2024Feb 28, 2024

    • mongogrant

      Public
      grant username and password credentials for roles on mongo databases via email verification
      pythonmongodbauthenticationpymongoauthorizationdatabase-management
      Python
      •
      Other
      •5•8•2•2•Updated May 22, 2023May 22, 2023

    • status

      Public
      Status page for Materials Project website and services
      MIT License
      •0•1•0•0•Updated Apr 3, 2023Apr 3, 2023

    • workshop

      Public
      The Materials Project Workshop Curriculum
      Jupyter Notebook
      •
      BSD 3-Clause "New" or "Revised" License
      •129•113•1•8•Updated Mar 1, 2023Mar 1, 2023

    • binder

      Public
      A ready-to-use environment for trying the Materials Project software stack based on the Binder (https://mybinder.org) service.
      Jupyter Notebook
      •2•2•0•0•Updated Aug 31, 2022Aug 31, 2022

    • MPCite

      Public
      Continuous and High-Throughput Allocation of Digital Object Identifiers for Materials Data in the Materials Project
      Jupyter Notebook
      •4•3•1•2•Updated Aug 23, 2022Aug 23, 2022
    52 repositories found. List is sorted by Last pushed in descending order.