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1. occ occ Public

   Open Computational Chemistry in C++

   C++ 20 6

2. crystalexplorer crystalexplorer Public

   Crystal structure analysis with Hirshfeld surfaces, intermolecular interaction energies and more

   C++ 21 3

3. chmpy chmpy Public

   Spherical harmonic shape descriptors, promolecule densities, isosurfaces and Hirshfeld surfaces in python

   Python 24 3

4. mlip.cpp mlip.cpp Public

   MLIP inference using ggml

   C++