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  • Scripts Public

    Some scripts for computational chemistry.

    Python MIT License Updated Dec 4, 2024

  • build-your-own-x-workshop Public

    The workshop of build-your-own-x

    MIT License Updated Nov 23, 2024

  • gmxoutchg_py Public

    Extract atomic charges from formatted .tpr file (For gromacs 2018.8).

    Python 1 MIT License Updated Sep 3, 2024

  • Docs_of_Jian.github.io Public

    Docs of Jian

    HTML 2 MIT License Updated Aug 19, 2024

  • drawRDF Public

    A Python script that plots radial distribution function (RDF) and coordination number curve from xvg file produced by gromacs.

    Tcl 3 MIT License Updated Jul 31, 2024

  • drawXPM Public

    A python script for drawing filled contours from xpm file by gmx densmap.

    Tcl 1 MIT License Updated Jul 23, 2024