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utf (Alex Ganose) · GitHub

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  1. hackingmaterials/amset hackingmaterials/amset Public

    Electronic transport properties from first-principles calculations

    Python 163 59

  2. materialsproject/jobflow materialsproject/jobflow Public

    jobflow is a library for writing computational workflows.

    Python 126 38

  3. materialsproject/atomate2 materialsproject/atomate2 Public

    atomate2 is a library of computational materials science workflows

    Python 341 156

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

    Heavyweight plotting tools for ab initio calculations

    Python 256 87

  5. hackingmaterials/robocrystallographer hackingmaterials/robocrystallographer Public

    Automatic generation of crystal structure descriptions.

    Python 142 35

  6. fermisurfaces/IFermi fermisurfaces/IFermi Public

    Fermi surface generation, analysis and visualisation.

    Python 102 39

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