Block or report user

Report or block bas-rustenburg

Hide content and notifications from this user.

Contact Support about this user’s behavior.

Report abuse

Organizations

@choderalab @tossr

Pinned repositories

  1. choderalab/protons

    OpenMM testbed for constant-pH methodologies.

    Python 14 10

  2. choderalab/saltswap

    Package to fluctuate the number of counterions in an OpenMM simulation

    Jupyter Notebook 1

  3. choderalab/bayesian-itc

    Python tools for the analysis and modeling of isothermal titration calorimetry (ITC) experiments.

    TeX 2 7

  4. choderalab/yank

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

    Python 38 28

  5. choderalab/software-development

    A primer on software development best practices for computational chemistry

    62 17

  6. choderalab/openmoltools

    An open set of tools for automating tasks relating to small molecules

    Python 21 20

376 contributions in the last year

Aug Sep Oct Nov Dec Jan Feb Mar Apr May Jun Jul Aug Mon Wed Fri

Contribution activity

August 2018

Seeing something unexpected? Take a look at the GitHub profile guide.