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  • University of New Hampshire



Pinned repositories

  1. MDAnalysis/mdanalysis

    MDAnalysis is a Python library to analyze molecular dynamics trajectories.

    Python 224 137

  2. datreant/MDSynthesis

    a logistics and persistence engine for the analysis of molecular dynamics trajectories

    Python 23 4

  3. MDAnalysis-coarsegraining

    An attempt at making a special subtype of MDAnalysis.Universe which allows a mapping scheme to be applied on the fly to an atomistic trajectory.

    Python 1 1

  4. MDAnalysis_CIFReading

    Reading cif files with MDAnalysis


988 contributions in the last year

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

Contribution activity

September 2018

Created a pull request in MDAnalysis/mdanalysis that received 5 comments

fixes #1795

Fixes #1795 Changes made in this Pull Request: SphericalZone and SphericalLayer no longer shift atoms to inside primary unit cell when calculating…

+13 −6 5 comments

Created an issue in MDAnalysis/mdanalysis that received 7 comments

Rename capped_distance to capped_distance_array

This is something that I should have brought up in the initial PR, but I think it'd be clearer if capped_distance (@ayushsuhane 's new fast distanc…

2 contributions in private repositories Sep 1

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