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  1. dotfiles dotfiles Public

    dot-files and other things

    Shell

  2. Free-Energy-Perturbation-FEP Free-Energy-Perturbation-FEP Public

    Scripts for running alchemical, free-energy perturbation simulations using Gromacs

    Shell 13 1

  3. nutlins nutlins Public

    Files used for producing and analyzing MD simulations of nutlins with MDM2

    Shell

  4. FAHscripts FAHscripts Public

    A collection of scripts used on Folding@Home Work Servers

    HTML 1

  5. macrocycles macrocycles Public

    simulation of ion-binding cyclic peptoid hexamers

    Jupyter Notebook

  6. voelzmeister voelzmeister Public

    an amalgamation of all things collaborative

    Jupyter Notebook