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1. scicode-widgets scicode-widgets Public

   Forked from osscar-org/scicode-widgets

   A collection of widgets to prepare interactive scientific visualisations, including user code input and validation

   Python

2. lab-cosmo/atomistic-cookbook lab-cosmo/atomistic-cookbook Public

   A collection of simulation recipes for the atomic-scale modeling of materials and molecules

   Python 30 4

3. metatensor/metatensor metatensor/metatensor Public

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

   Python 84 24

4. metatensor/featomic metatensor/featomic Public

   Computing representations for atomistic machine learning

   Rust 73 16

5. ecignoni/halex ecignoni/halex Public

   Hamiltonian Learning for Excited States

   Python 3

6. lab-cosmo/torch-spex lab-cosmo/torch-spex Public

   spherical expansions in torch

   Python 3 3