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Organizations

@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 http://github.com/omnia-md/conda-recipes, 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!

11 comments

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