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1. materialsproject/reaction-network materialsproject/reaction-network Public

   Reaction Network is a Python package for predicting likely inorganic chemical reaction pathways using graph theoretical methods. Project led by @mattmcdermott (formerly at Berkeley Lab).

   Python 103 21

2. materialsproject/pymatgen materialsproject/pymatgen Public

   Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials …

   Python 1.6k 887

3. mattmcdermott.github.io mattmcdermott.github.io Public

   Forked from alshedivat/al-folio

   My personal website.

   JavaScript