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  1. Min_Dist_Matrix_Rep Min_Dist_Matrix_Rep Public

    This is the accompanying GitHub for the paper "Can Deep Learning Blind Docking Methods be used to Predict Allosteric Compounds?"

    Jupyter Notebook 2

  2. Scripts Scripts Public

    Forked from sahrendt0/Scripts

    Personal Script Library- These scripts are subject to change and breakage, early and often.

    Perl

  3. pypdb pypdb Public

    Forked from williamgilpin/pypdb

    A Python API for the RCSB Protein Data Bank (PDB)

    Python

  4. AlphaSpace2 AlphaSpace2 Public

    Forked from RedesignScience/AlphaSpace2

    Protein surface topographical mapping tool

    Jupyter Notebook

  5. pyDockRMSD pyDockRMSD Public

    Forked from neudinger/pyDockRMSD

    Root-mean-square deviation of atomic positions

    C

  6. mdigest mdigest Public

    Forked from fmaschietto/mdigest

    Python