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@RedesignScience

Redesign Science

Popular repositories

  1. AlphaSpace2 AlphaSpace2 Public

    Protein surface topographical mapping tool

    Jupyter Notebook 21 5

  2. cvpack cvpack Public

    Useful Collective Variables for OpenMM

    Python 8 1

  3. foldingathome_adaptive foldingathome_adaptive Public

    Scripts to run adaptive sampling on Folding@home

    Python 2

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

    1

  5. blues blues Public

    Forked from MobleyLab/blues

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

    Python

  6. mdtrajx mdtrajx Public

    Forked from mdtraj/mdtraj

    MDtrajx is a forked version of MDtraj, includes additional functionality such as integrated parmed object.

    C

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