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@materialsproject @henniggroup

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  1. Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It i…

    Python 649 546

  2. Solvation model for the plane wave DFT code VASP http://vaspsol.mse.ufl.edu/

    Fortran 47 44

  3. Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and without ligands/solvents).

    Python 42 40

  4. atomate is a powerful software for computational materials science and contains pre-built workflows.

    Python 130 108

  5. Go + MaterialsProject

    Go 1

  6. The Fireworks Workflow Management Repo.

    Python 202 126

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