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119 followers · 15 following · 143

Highlights

  • Arctic Code Vault Contributor
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Organizations

@Becksteinlab @MDAnalysis @ASU-CompMethodsPhysics-PHY494 @alchemistry

Pinned

  1. MDAnalysis/mdanalysis

    MDAnalysis is a Python library to analyze molecular dynamics trajectories.

    Python 584 306

  2. Becksteinlab/GromacsWrapper

    GromacsWrapper is a python package that wraps system calls to Gromacs tools into thin classes. This allows for fairly seamless integration of the gromacs tools (v4.6.x, v5.x, 2016.x, 2018.x, 2019.x…

    Python 106 35

  3. alchemistry/alchemlyb

    the simple alchemistry library

    Python 51 26

  4. MDAnalysis/pmda

    Parallel algorithms for MDAnalysis

    Python 21 12

  5. Becksteinlab/MDPOW

    Calculation of water/solvent partition coefficients with Gromacs.

    Python 14 5

  6. MDAnalysis/GridDataFormats

    GridDataFormats is a pure Python library to handle data on a regular grid using commonly used file formats in molecular simulations.

    Python 20 15

1,168 contributions in the last year

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Contribution activity

March 2021

Created 16 commits in 4 repositories
Opened 1 pull request in 1 repository
ASU-CompMethodsPhysics-PHY494/PHY494-resources
1 merged

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