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@LeMaterial

LeMaterial

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LeMaterial is an open-source collaborative project led by Entalpic and Hugging Face ⚛️🤗

LeMaterial aims to simplify and accelerate materials research, making it easier to train ML models, identify novel materials, and explore chemical spaces. This is made possible by existing datasets, models, tools, visualisations and benchmarks.

🔗 Explore LeMaterial

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  1. lemat-genbench lemat-genbench Public

    Benchmark for generative models for materials

    Python 54 5

  2. lematerial-llm-synthesis lematerial-llm-synthesis Public

    An open-source multi-modal toolbox for extracting structured synthesis procedures and performance data from materials science literature at scale.

    Python 43 8

  3. lematerial-hasher lematerial-hasher Public

    Python 28 5

  4. lematerial-fetcher lematerial-fetcher Public

    Tool to fetch, parse, and standardize materials data from various databases for LeMaterial.

    Python 19 3

  5. atompack atompack Public

    Ultra fast atomistic storage database for random reads and ML training

    Python 13 1

  6. mpcharges mpcharges Public

    Bader charge calculation library from raw VASP data from Materials Project

    Python 3

Repositories

Showing 10 of 11 repositories
  • LeMaterial/lematerial-website's past year of commit activity
    SCSS 1 MIT 2 0 1 Updated Sep 9, 2026
  • lematerial-llm-synthesis Public

    An open-source multi-modal toolbox for extracting structured synthesis procedures and performance data from materials science literature at scale.

    LeMaterial/lematerial-llm-synthesis's past year of commit activity
    Python 43 Apache-2.0 8 1 1 Updated Aug 27, 2026
  • atompack Public

    Ultra fast atomistic storage database for random reads and ML training

    LeMaterial/atompack's past year of commit activity
    Python 13 Apache-2.0 1 7 7 Updated Jun 22, 2026
  • lematerial-fetcher Public

    Tool to fetch, parse, and standardize materials data from various databases for LeMaterial.

    LeMaterial/lematerial-fetcher's past year of commit activity
    Python 19 Apache-2.0 3 7 4 Updated Jun 8, 2026
  • step-up Public

    A benchmark for 2D to 3D conformer generation models

    LeMaterial/step-up's past year of commit activity
    Python 0 MIT 0 0 1 Updated May 26, 2026
  • lemat-genbench Public

    Benchmark for generative models for materials

    LeMaterial/lemat-genbench's past year of commit activity
    Python 54 Apache-2.0 5 5 14 Updated Apr 27, 2026
  • LeMat-Rho Public

    Calculation scripts, push to AWS bucket, etc.

    LeMaterial/LeMat-Rho's past year of commit activity
    Jupyter Notebook 1 1 1 3 Updated Mar 12, 2026
  • .github Public
    LeMaterial/.github's past year of commit activity
    0 0 0 0 Updated Feb 12, 2026
  • aws-open-data-registry Public Forked from awslabs/open-data-registry

    A registry of publicly available datasets on AWS

    LeMaterial/aws-open-data-registry's past year of commit activity
    Python 0 Apache-2.0 1,236 0 1 Updated Jan 13, 2026
  • LeMaterial/lematerial-hasher's past year of commit activity
    Python 28 Apache-2.0 5 3 6 Updated Aug 20, 2025

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