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GeezerVison is showing github.com — Materials Project

README.md

The Materials Project is a multi-institution, multi-national effort to compute the properties of all inorganic materials and provide the data and associated analysis algorithms for every materials researcher free of charge. The ultimate goal of the initiative is to drastically reduce the time needed to invent new materials by focusing costly and time-consuming experiments on compounds that show the most promise computationally.

Software

By computing properties of all known materials, the Materials Project aims to remove guesswork from materials design in a variety of applications. Experimental research can be targeted to the most promising compounds from computational data sets. Researchers will be able to data-mine scientific trends in materials properties. By providing materials researchers with the information they need to design better, the Materials Project aims to accelerate innovation in materials research.

Supercomputing

Supercomputing clusters at national laboratories provide the infrastructure that enables our computations, data, and algorithms to run at unparalleled speed. We principally use the Lawrence Berkeley National Laboratory's NERSC Scientific Computing Center and Computational Research Division, but we are also active with Oak Ridge's OLCF Argonne's ALCF and San Diego's SDSC

Screening

Computational materials science is now powerful enough that it can predict many properties of materials before those materials are ever synthesized in the lab. By scaling materials computations over supercomputing clusters, we have predicted several new battery materials which were made and tested in the lab. Recently, we have also identified new transparent conducting oxides and thermoelectric materials using this approach.

Contributors

The Materials Project thank all users for support and feedback. We are thankful to all our contributors who contribute to our software ecosystem. A complete list of contributors is listed here.

Pinned Loading

  1. pymatgen 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 …

    Python 2k 977

  2. fireworks fireworks Public

    The Fireworks Workflow Management Repo.

    Python 425 195

  3. custodian custodian Public

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

    Python 192 120

  4. atomate2 atomate2 Public

    atomate2 is a library of computational materials science workflows

    Python 360 165

  5. api api Public

    New API client for the Materials Project

    Python 182 55

Repositories

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Showing 10 of 58 repositories
  • MPContribs Public

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

    materialsproject/MPContribs's past year of commit activity
    Python 42 MIT 30 19 7 Updated Nov 12, 2026
  • MPShips Public

    app gallery and template for contributed apps

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    materialsproject/MPShips's past year of commit activity
    Python 0 MIT 4 0 2 Updated Nov 12, 2026
  • atomate2 Public

    atomate2 is a library of computational materials science workflows

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    materialsproject/atomate2's past year of commit activity
    Python 360 165 46 34 Updated Nov 12, 2026
  • mpships-infra Public

    Centralizes shared functionality such as get_rester and the MPShipsApp object.

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    materialsproject/mpships-infra's past year of commit activity
    Python 0 MIT 0 0 1 Updated Nov 12, 2026
  • matbench Public

    Matbench: Benchmarks for materials science property prediction

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    materialsproject/matbench's past year of commit activity
    Python 226 MIT 72 8 24 Updated Nov 12, 2026
  • api Public

    New API client for the Materials Project

    materialsproject/api's past year of commit activity
    Python 182 55 9 1 Updated Nov 12, 2026
  • emmet Public

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

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    materialsproject/emmet's past year of commit activity
    Python 69 87 16 10 Updated Nov 12, 2026
  • custodian Public

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

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    There was an error while loading. Please reload this page.

    materialsproject/custodian's past year of commit activity
    Python 192 MIT 120 21 3 Updated Nov 11, 2026
  • 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.

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    There was an error while loading. Please reload this page.

    materialsproject/pymatgen's past year of commit activity
    Python 2,015 977 148 7 Updated Nov 11, 2026
  • maggma Public

    Building blocks for scientific data pipelines

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    materialsproject/maggma's past year of commit activity
    Python 44 36 34 13 Updated Nov 11, 2026
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People

@shreddd @dangunter @shyuep @computron @utf @tschaume @dwinston @mkhorton @munrojm @as2362 @Andrew-S-Rosen @jdagdelen @mjwen @yang-ruoxi @JaGeo @janosh @mattmcdermott

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Most used topics

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