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


  1. A primer on software development best practices for computational chemistry

    71 23

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

    C++ 372 204

  3. A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.

    Python 44 23

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

    Python 46 35

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

    TeX 11 1

  6. Python implementation of the multistate Bennett acceptance ratio (MBAR)

    Python 62 38

Contribution activity

March 2019

Created a pull request in choderalab/perses that received 6 comments

Update readthedocs config so that all docs build

This PR attempts to fix the readthedocs builds.

+55 −52 6 comments

Created an issue in choderalab/openmoltools that received 2 comments

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