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1. hackingmaterials/amset hackingmaterials/amset Public

   Electronic transport properties from first-principles calculations

   Python 137 46

2. materialsproject/jobflow materialsproject/jobflow Public

   jobflow is a library for writing computational workflows.

   Python 97 26

3. materialsproject/atomate2 materialsproject/atomate2 Public

   atomate2 is a library of computational materials science workflows

   Python 170 101

4. SMTG-Bham/sumo SMTG-Bham/sumo Public

   Heavyweight plotting tools for ab initio calculations

   Python 208 82

5. hackingmaterials/robocrystallographer hackingmaterials/robocrystallographer Public

   Automatic generation of crystal structure descriptions.

   Python 105 28

6. fermisurfaces/IFermi fermisurfaces/IFermi Public

   Fermi surface generation, analysis and visualisation.

   Python 90 35