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    11 repositories

    • lematerial-llm-synthesis

      Public
      An open-source multi-modal toolbox for extracting structured synthesis procedures and performance data from materials science literature at scale.
      material-designmaterialschemistry
      material-designmaterialschemistrymaterials-sciencematerials-informaticsai4sciencellms
      Python
      •
      Apache License 2.0
      •8•43•12•2•Updated Aug 5, 2026Aug 5, 2026

    • lematerial-website

      Public
      SCSS
      •
      MIT License
      •0•1•0•0•Updated Jul 13, 2026Jul 13, 2026

    • atompack

      Public
      Ultra fast atomistic storage database for random reads and ML training
      Python
      •
      Apache License 2.0
      •1•13•6•7•Updated Jun 22, 2026Jun 22, 2026

    • lematerial-fetcher

      Public
      Tool to fetch, parse, and standardize materials data from various databases for LeMaterial.
      Python
      •
      Apache License 2.0
      •3•19•7•4•Updated Jun 8, 2026Jun 8, 2026

    • step-up

      Public
      A benchmark for 2D to 3D conformer generation models
      Python
      •
      MIT License
      •0•0•0•1•Updated May 26, 2026May 26, 2026

    • lemat-genbench

      Public
      Benchmark for generative models for materials
      Python
      •
      Apache License 2.0
      •5•54•5•14•Updated Apr 27, 2026Apr 27, 2026

    • LeMat-Rho

      Public
      Calculation scripts, push to AWS bucket, etc.
      Jupyter Notebook
      •1•1•1•3•Updated Mar 12, 2026Mar 12, 2026

    • .github

      Public
      0•0•0•0•Updated Feb 12, 2026Feb 12, 2026

    • aws-open-data-registry

      Public
      A registry of publicly available datasets on AWS
      Python
      •
      Apache License 2.0
      •1.2k•0•0•1•Updated Jan 13, 2026Jan 13, 2026

    • lematerial-hasher

      Public
      Python
      •
      Apache License 2.0
      •5•28•3•6•Updated Aug 20, 2025Aug 20, 2025

    • mpcharges

      Public
      Bader charge calculation library from raw VASP data from Materials Project
      Python
      •
      Apache License 2.0
      •0•3•1•0•Updated Dec 10, 2024Dec 10, 2024
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