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1. tobacco_3.0 tobacco_3.0 Public

   Forked from tobacco-mofs/tobacco_3.0

   Python

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 875

3. openbabel/openbabel openbabel/openbabel Public

   Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

   C++ 1.1k 422

4. snurr-group/mofid snurr-group/mofid Public

   A system for rapid identification and analysis of metal-organic frameworks

   C++ 47 24