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  1. wolverton-research-group/qmpy wolverton-research-group/qmpy Public

    A suite of computational materials science tools.

    JavaScript 129 46

  2. aced-differentiate/auto_cat aced-differentiate/auto_cat Public

    Tools for automated structure generation of catalyst systems

    Python 4

  3. CitrineInformatics/dftparse CitrineInformatics/dftparse Public

    Simple parsers for DFT codes

    Python 2 3

  4. CitrineInformatics/dft-input-gen CitrineInformatics/dft-input-gen Public

    Python library to generate input files for DFT codes.

    Python 3 2

  5. kelpie kelpie Public

    A lean Python library for managing VASP runs on HPCs.

    Python

  6. icsd-queryer icsd-queryer Public

    A python module to query data programmatically from the ICSD.

    Python 9 8