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@FoldingAtHome @choderalab @cBio @omnia-md @openforcefield

Pinned repositories

  1. choderalab/software-development

    A primer on software development best practices for computational chemistry

    68 23

  2. pandegroup/openmm

    OpenMM is a toolkit for molecular simulation using high performance GPU code.

    C++ 346 196

  3. choderalab/openmmtools

    An OpenMM toolkit with test systems, integrators, and alchemical support

    Python 40 22

  4. choderalab/yank

    An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.

    Python 45 34

  5. latex-cv

    Example showing how LaTeX can be used to produce a nice-looking curriculum vitae (CV).

    TeX 11 1

  6. choderalab/pymbar

    Python implementation of the multistate Bennett acceptance ratio (MBAR)

    Python 58 36

1,351 contributions in the last year

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Contribution activity

January 2019

Created a pull request in omnia-md/conda-dev-recipes that received 1 comment

Clean up build scripts, build python 2.7,3.6,3.7 and numpy 1.14,1.15

This PR cleans up the build scripts to match the recent updates to, and updates the builds to python 2.7, …

+36 −43 1 comment

Created an issue in maccallumlab/meld that received 11 comments

CPU/Reference implementation of MELD restraints

cc: pandegroup/openmm#2242 Let us know how we can help!


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