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Redesign Science

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  1. AlphaSpace2 AlphaSpace2 Public

    Protein surface topographical mapping tool

    Jupyter Notebook 30 8

  2. cvpack cvpack Public

    Useful Collective Variables for OpenMM

    Python 17 2

  3. foldingathome_adaptive foldingathome_adaptive Public

    Scripts to run adaptive sampling on Folding@home

    Python 2

  4. fep-benchmark-public fep-benchmark-public Public

    2

  5. openmm-cpp-forces openmm-cpp-forces Public

    Platform-agnostic OpenMM Forces

    C++ 1 1

  6. blues blues Public

    Forked from MobleyLab/blues

    Applications of nonequilibrium candidate Monte Carlo (NCMC) to ligand binding mode sampling

    Python

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