Oliver Beckstein orbeckst

I lead a computational research group in the Department of Physics at Arizona State University (@Becksteinlab) and am a co-founder of @MDAnalysis.

Achievements

MDAnalysis/mdanalysis MDAnalysis/mdanalysis Public

MDAnalysis is a Python library to analyze molecular dynamics simulations.

Python 1.7k 884
Becksteinlab/GromacsWrapper Becksteinlab/GromacsWrapper Public

GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).

Python 193 56
alchemistry/alchemlyb alchemistry/alchemlyb Public

the simple alchemistry library

Python 249 59
MDAnalysis/pmda MDAnalysis/pmda Public

Parallel algorithms for MDAnalysis

Python 31 23
Becksteinlab/MDPOW Becksteinlab/MDPOW Public

Calculation of water/solvent partition coefficients with Gromacs.

Python 30 10
MDAnalysis/GridDataFormats MDAnalysis/GridDataFormats Public

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

Python 32 24

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