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1. lab-cosmo/equisolve lab-cosmo/equisolve Public archive

   A ML toolkit package utilizing the metatensor data format to build models for the prediction of equivariant properties and gradients.

   Python 5 1

2. scikit-learn-contrib/scikit-matter scikit-learn-contrib/scikit-matter Public

   A collection of scikit-learn compatible utilities that implement methods born out of the materials science and chemistry communities

   Python 76 19

3. lab-cosmo/librascal lab-cosmo/librascal Public

   A scalable and versatile library to generate representations for atomic-scale learning

   C++ 80 17

4. cuda-reduce cuda-reduce Public

   Python 2 1

5. osscar-org/scicode-widgets osscar-org/scicode-widgets Public

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

   Python 3 2

6. lab-cosmo/cluster-tutorials lab-cosmo/cluster-tutorials Public

   Shell