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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11:14
(UTC -07:00) - https://becksteinlab.physics.asu.edu
- https://orcid.org/0000-0003-1340-0831
- @orbeckst
- in/oliver-beckstein-824179a
- https://bsky.app/profile/orbeckst.bsky.social
Highlights
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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 - 2024 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.
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