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  1. Forked from MDAnalysis/mdanalysis

    MDAnalysis is a Python library to analyze molecular dynamics trajectories.


  2. Forked from bigginlab/OxCompBio

    Materials for the oxford computational biochemistry course including python

    Jupyter Notebook

  3. pKa estimates for proteins using an ensemble approach

    Python 11 4

  4. Python code for generating Boresch restraints from MD simulations

    Python 4 1

600 contributions in the last year

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Contribution activity

April 2021

Created a pull request in MDAnalysis/mdanalysis that received 3 comments

[CI] allows for the canceling previously running workflows for a given branch

Fixes # Changes made in this Pull Request: Adds a new workflow action that should hopefully kill previous workflows for that given branch that are…

+6 −0 3 comments
Opened 2 other pull requests in 2 repositories
1 merged
1 merged

Created an issue in MDAnalysis/mdanalysis that received 5 comments

Increase density code test coverage

Is your feature request related to a problem? The current density code only has 82.04% test coverage (see here ) The general aim is that we should …

Opened 4 other issues in 2 repositories
3 closed
1 open

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