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1. metatensor/metatomic metatensor/metatomic Public

   Atomistic machine learning models you can use everywhere for everything

   Python 38 8

2. metatensor/metatensor metatensor/metatensor Public

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

   Python 98 25

3. metatensor/featomic metatensor/featomic Public

   Computing representations for atomistic machine learning

   Rust 79 18

4. chemfiles/chemfiles chemfiles/chemfiles Public

   Library for reading and writing chemistry files

   C++ 195 56

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

   Array of Struct to Struct of Array helpers in Rust

   Rust 484 30

6. vesin vesin Public

   Compute neighbor lists for atomistic systems

   Python 74 13