Justin MacCallum's repositories
gromacs
Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/gromacs/gromacs for code review and issue tracking.
ParmEd
Parameter/topology editor and molecular simulator
openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
1on1-questions
Mega list of 1 on 1 meeting questions compiled from a variety to sources
FrEIA
Framework for Easily Invertible Architectures
breathe
ReStructuredText and Sphinx bridge to Doxygen
decomp_notebooks
Free energy decomposition notebooks
meld
Modeling with limited data
tdca_fit
Fitting for WspR and TdcA
conda-recipes
conda build recipes for the Omnia project
simplepipe
A simple functional pipelining library for Python
mdtraj
A modern, open library for the analysis of molecular dynamics trajectories
2015-10-05-UC
Software Carpentry Workshop
vimrc
my vimrc files
OneDimensionalCom
An example of how to write a plugin for OpenMM
ccr_openmm
Confine-Configure-Release for OpenMM
remd_explore
How to optimize replica exchange when there are orthogonal barriers?
tmux_config
My Tmux config in homesick format
cheaters
Customizable cheat sheet system for OS X
zshrc
My zshrc files
vim-pad
a quick notetaking plugin