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  1. FEBISS_fix FEBISS_fix Public

    Forked from PodewitzLab/FEBISS

    Tool to ease GIST analysis and display and select FEBISS waters

    Python

  2. xtb-custom-atoms xtb-custom-atoms Public

    Forked from grimme-lab/xtb

    Semiempirical Extended Tight-Binding Program Package

    Fortran

  3. PodewitzLab/PyConSolv PodewitzLab/PyConSolv Public

    Python 32 5

  4. PodewitzLab/gigist PodewitzLab/gigist Public

    Forked from liedllab/gigist

    GPU Implementation of GIST

    C++