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@chemfiles @lumol-org @m-stack-org @metatensor

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  1. metatensor/metatensor metatensor/metatensor Public

    Self-describing sparse tensor data format for atomistic machine learning and beyond

    Python 57 19

  2. metatensor/featomic metatensor/featomic Public

    Computing representations for atomistic machine learning

    Rust 48 14

  3. chemfiles/chemfiles chemfiles/chemfiles Public

    Library for reading and writing chemistry files

    C++ 165 47

  4. lab-cosmo/chemiscope lab-cosmo/chemiscope Public

    An interactive structure/property explorer for materials and molecules

    TypeScript 136 34

  5. lumol-org/soa-derive lumol-org/soa-derive Public

    Array of Struct to Struct of Array helpers in Rust

    Rust 420 28

  6. vesin vesin Public

    Compute neighbor lists for atomistic systems

    Python 30 1