I work on making molecular dynamics simulations user friendly. I have extensive experience in HPC and performance engineering, and GROMACS.
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radical.pilot Public
Forked from radical-cybertools/radical.pilotRADICAL-Pilot
Python Other UpdatedApr 18, 2024 -
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scale-ms Public
Forked from SCALE-MS/scale-msSCALE-MS design and development
Python GNU Lesser General Public License v2.1 UpdatedNov 29, 2023 -
spack Public
Forked from spack/spackA flexible package manager that supports multiple versions, configurations, platforms, and compilers.
Python Other UpdatedMar 1, 2023 -
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modulecmd Public
Forked from jeffee47/modulecmdPython wrapper around environment module interface
Python MIT License UpdatedJun 24, 2019 -
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workshop-orga Public
Forked from blauc/workshop-orgaCollection of aides to organize a workshop
UpdatedOct 29, 2018 -
game-of-life Public
Forked from wakaleo/game-of-lifeDemo application for the 'Jenkins: The Definitive Guide' book
HTML UpdatedSep 4, 2018 -
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md_analysis Public
This repo contains scripts to analyze md trajectories
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pdbremix Public
Forked from boscoh/pdbremixanalyse PDB files, run molecular-dynamics & analyse trajectories
Python UpdatedJun 3, 2014