Pinned Repositories
BakerProteins
ccr_openmm
Confine-Configure-Release for OpenMM
conda-recipes
conda build recipes for the Omnia project
FlexServ
jlmaccal.github.com
ZAM documentation
openmm_debug
pdbfixer
jlmaccal's Repositories
jlmaccal/BakerProteins
jlmaccal/FlexServ
jlmaccal/ccr_openmm
Confine-Configure-Release for OpenMM
jlmaccal/conda-recipes
conda build recipes for the Omnia project
jlmaccal/openmm_debug
jlmaccal/pdbfixer
jlmaccal/1on1-questions
Mega list of 1 on 1 meeting questions compiled from a variety to sources
jlmaccal/2015-10-05-UC
Software Carpentry Workshop
jlmaccal/breathe
ReStructuredText and Sphinx bridge to Doxygen
jlmaccal/cheaters
Customizable cheat sheet system for OS X
jlmaccal/decomp_notebooks
Free energy decomposition notebooks
jlmaccal/dotspacemacs
jlmaccal/extract_pre_distances
jlmaccal/FrEIA
Framework for Easily Invertible Architectures
jlmaccal/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.
jlmaccal/hhr_mapper
jlmaccal/limix
jlmaccal/mdtraj
A modern, open library for the analysis of molecular dynamics trajectories
jlmaccal/meld
Modeling with limited data
jlmaccal/OneDimensionalCom
An example of how to write a plugin for OpenMM
jlmaccal/openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
jlmaccal/ParmEd
Parameter/topology editor and molecular simulator
jlmaccal/peakmatch
jlmaccal/remd_explore
How to optimize replica exchange when there are orthogonal barriers?
jlmaccal/simplepipe
A simple functional pipelining library for Python
jlmaccal/tdca_fit
Fitting for WspR and TdcA
jlmaccal/tmux_config
My Tmux config in homesick format
jlmaccal/vim-pad
a quick notetaking plugin
jlmaccal/vimrc
my vimrc files
jlmaccal/zshrc
My zshrc files