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Popular repositories Loading

  1. cheminformatics_notebooks cheminformatics_notebooks Public

    Jupyter notebooks showing some cheminformatics applications

    Jupyter Notebook 1 4

  2. pRMSD pRMSD Public

    Calculation of permuntative RMSD using bound-and-branch approach

    Python

  3. martini-graphite martini-graphite Public

    Parameters and tutorial for coarse-grained molecular dynamics simulations of self-assembly on graphite surface (Martini FF).

  4. tkpiskorz.github.io tkpiskorz.github.io Public

    Forked from academicpages/academicpages.github.io

    Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes

    HTML

  5. md_notebooks md_notebooks Public

    Jupyter Notebook

  6. forcebalance forcebalance Public

    Forked from leeping/forcebalance

    Systematic force field optimization.

    Python