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Pinned repositories

  1. choderalab/saltswap

    Package to fluctuate the number of counterions in an OpenMM simulation

    Jupyter Notebook 1

  2. choderalab/protons

    OpenMM testbed for constant-pH methodologies.

    Python 14 10

  3. choderalab/bayesian-free-energies

    Repository to host our developmental bayesian free energy methods

    Jupyter Notebook

  4. choderalab/software-development

    A primer on software development best practices for computational chemistry

    64 18


    Personal website


  6. Walkthroughs

    A set of basic tutorials and how-tos with python.

    Jupyter Notebook 2

15 contributions in the last year

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Contribution activity

January - September 2018

gregoryross has no activity yet for this period.

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