I lead a computational research group in the Department of Physics at Arizona State University (@Becksteinlab) and am a co-founder of @MDAnalysis.
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Arizona State University
- Tempe, AZ, USA
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14:34
(UTC -07:00) - https://becksteinlab.physics.asu.edu
- @orbeckst
- in/oliver-beckstein-824179a
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MDAnalysis/mdanalysis
MDAnalysis/mdanalysis PublicMDAnalysis is a Python library to analyze molecular dynamics simulations.
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Becksteinlab/GromacsWrapper
Becksteinlab/GromacsWrapper PublicGromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2023 supported).
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Becksteinlab/MDPOW
Becksteinlab/MDPOW PublicCalculation of water/solvent partition coefficients with Gromacs.
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MDAnalysis/GridDataFormats
MDAnalysis/GridDataFormats PublicGridDataFormats is a pure Python library to handle data on a regular grid using commonly used file formats in molecular simulations.
1,077 contributions in the last year
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Activity overview
Contributed to
MDAnalysis/benchmarks,
MDAnalysis/mdanalysis,
Becksteinlab/GromacsWrapper
and 64 other
repositories
Contribution activity
December 1, 2023
Opened 1 pull request in 1 repository
MDAnalysis/UserGuide
1
open
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updated line length in code contrib section
This contribution was made on Dec 1
Reviewed 1 pull request in 1 repository
MDAnalysis/mdanalysis
1 pull request
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GROMOS11 Reader
This contribution was made on Dec 1
Created an issue in MDAnalysis/UserGuide that received 10 comments
update line length in Contributor guide
The Contributor Guide in https://userguide.mdanalysis.org/stable/contributing_code.html#code-formatting-in-python states 79 char line limit but we …
10
comments