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1. zerothi/sisl zerothi/sisl Public

   Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations

   Python 226 68

2. BIG-MAP/graph2mat BIG-MAP/graph2mat Public

   graph2mat: Graph to matrix conversion

   Python 24 6

3. metatensor/metatrain metatensor/metatrain Public

   Train, fine-tune, and manipulate machine learning models for atomistic systems

   Python 78 42

4. nodify nodify Public

   Supercharge your functional applications with nodes.

   Python 2

5. react-nodify react-nodify Public

   React components to build graphical interfaces for the nodify python package.

   TypeScript

6. cluster-utils cluster-utils Public

   Set of utilities to make your life easier with hpc clusters

   Python 1