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    • jobflow

      Public
      jobflow is a library for writing computational workflows.
      Python
      Other
      26972316Updated Dec 23, 2024Dec 23, 2024
    • Defect analysis modules for pymatgen
      Python
      Other
      104413Updated Dec 23, 2024Dec 23, 2024
    • atomate2

      Public
      atomate2 is a library of computational materials science workflows
      Python
      Other
      991704328Updated Dec 23, 2024Dec 23, 2024
    • Platform for materials scientists to contribute and disseminate their materials data through Materials Project
      Jupyter Notebook
      MIT License
      2337237Updated Dec 23, 2024Dec 23, 2024
    • emmet

      Public
      Be a master builder of databases of material properties. Avoid the Kragle.
      Python
      Other
      69554610Updated Dec 23, 2024Dec 23, 2024
    • 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
      212010Updated Dec 23, 2024Dec 23, 2024
    • pyrho

      Public
      Python
      Other
      73713Updated Dec 23, 2024Dec 23, 2024
    • maggma

      Public
      Building blocks for scientific data pipelines
      Python
      Other
      3239387Updated Dec 23, 2024Dec 23, 2024
    • api

      Public
      New API client for the Materials Project
      Python
      Other
      43120222Updated Dec 21, 2024Dec 21, 2024
    • The latest documentation for the Materials Project.
      17800Updated Dec 21, 2024Dec 21, 2024
    • Plotly Dash components developed by the Materials Project
      Python
      Other
      32516Updated Dec 16, 2024Dec 16, 2024
    • 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.
      Python
      Other
      8711.5k19150Updated Dec 12, 2024Dec 12, 2024
    • A suite of React components for the Materials Project, developed for use in Crystal Toolkit and the Materials Project public website.
      TypeScript
      8193312Updated Dec 9, 2024Dec 9, 2024
    • Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.
      Python
      Other
      591555314Updated Dec 8, 2024Dec 8, 2024
    • 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
      404923Updated Dec 2, 2024Dec 2, 2024
    • custodian

      Public
      A simple, robust and flexible just-in-time job management framework in Python.
      Python
      MIT License
      111143205Updated Dec 2, 2024Dec 2, 2024
    • MPShips

      Public
      app gallery and template for contributed apps
      Python
      MIT License
      2001Updated Nov 21, 2024Nov 21, 2024
    • Ruby
      MIT License
      51748Updated Nov 11, 2024Nov 11, 2024
    • 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
      61320Updated Oct 9, 2024Oct 9, 2024
    • A template for writing add-on namespace packages for pymatgen
      Python
      1601Updated Oct 7, 2024Oct 7, 2024
    • 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).
      Python
      Other
      189130Updated Sep 10, 2024Sep 10, 2024
    • matbench

      Public
      Matbench: Benchmarks for materials science property prediction
      Python
      MIT License
      471353219Updated Aug 20, 2024Aug 20, 2024
    • fireworks

      Public
      The Fireworks Workflow Management Repo.
      Python
      Other
      1853686212Updated Jul 26, 2024Jul 26, 2024
    • .github

      Public
      1300Updated 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
      316401Updated Feb 28, 2024Feb 28, 2024
    • grant username and password credentials for roles on mongo databases via email verification
      Python
      Other
      4822Updated May 22, 2023May 22, 2023
    • status

      Public
      Status page for Materials Project website and services
      MIT License
      0100Updated Apr 3, 2023Apr 3, 2023
    • workshop

      Public
      The Materials Project Workshop Curriculum
      Jupyter Notebook
      BSD 3-Clause "New" or "Revised" License
      12711218Updated 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
      1200Updated 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
      2312Updated Aug 23, 2022Aug 23, 2022