ejjordan

I work on making molecular dynamics simulations user friendly. I have extensive experience in HPC and performance engineering, and GROMACS.

Pinned Repositories

airflowHPC
Language:Python2 3 31
amx-homology
Language:Python0 1 00
analyo
Language:Python0 1 01
game-of-life
Demo application for the 'Jenkins: The Definitive Guide' book
Language:HTML00
gromacs-free-energy-tutorial
Language:Jupyter Notebook4 0 02
md_analysis
This repo contains scripts to analyze md trajectories
Language:Python01
modulecmd
Python wrapper around environment module interface
Language:Python00
mpi4py
Python bindings for MPI
Language:Python00
mutator
Language:Python0 3 03
pdbremix
analyse PDB files, run molecular-dynamics & analyse trajectories
Language:Python00

ejjordan's Repositories

ejjordan/gromacs-free-energy-tutorial
Language:Jupyter Notebook4 0 02
ejjordan/airflowHPC
Language:Python2 3 31
ejjordan/amx-homology
Language:Python0 1 00
ejjordan/analyo
Language:Python0 1 01
ejjordan/game-of-life
Demo application for the 'Jenkins: The Definitive Guide' book
Language:HTML00
ejjordan/md_analysis
This repo contains scripts to analyze md trajectories
Language:Python01
ejjordan/modulecmd
Python wrapper around environment module interface
Language:Python00
ejjordan/mpi4py
Python bindings for MPI
Language:Python00
ejjordan/mutator
Language:Python0 3 03
ejjordan/pdbremix
analyse PDB files, run molecular-dynamics & analyse trajectories
Language:Python00
ejjordan/radical.pilot
RADICAL-Pilot
Language:Python0 0
ejjordan/radical_testbed
Language:Python
ejjordan/scale-ms
SCALE-MS design and development
Language:Python0 0
ejjordan/spack
A flexible package manager that supports multiple versions, configurations, platforms, and compilers.
ejjordan/workshop-orga
Collection of aides to organize a workshop