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  • University of California, San Diego

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  1. GilsonLabUCSD/pAPRika GilsonLabUCSD/pAPRika Public

    Advanced toolkit for binding free energy calculations

    Python 32 14

  2. aimtools aimtools Public

    Tools for using the atoms-in-molecules approach with MD force fields in AMBER

    Python

  3. hfit hfit Public

    A python module to fit any type of scatter data, generate 95% confidence intervals

    Jupyter Notebook 1

  4. Random Random Public

    Jupyter Notebook

  5. MobleyLab/benchmarksets MobleyLab/benchmarksets Public

    Benchmark sets for binding free energy calculations: Perpetual review paper, discussion, datasets, and standards

    TeX 42 18

  6. GilsonLabUCSD/SAMPL5-bootstrapping-error-analysis GilsonLabUCSD/SAMPL5-bootstrapping-error-analysis Public

    Jupyter Notebook 1 1