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  1. gromacs gromacs Public

    Forked from gromacs/gromacs

    Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/gromacs/gromacs for code review and issue tracking.

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    Python module for quantum chemistry

    Python

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    A plugin to use Nvidia GPU in PySCF package

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