jmhays Goto Github PK
Name: Jennifer Hays Wagner
Type: User
Location: Chantilly, VA
Jennifer Hays Wagner's Projects
biop-web
jmhays.github.io
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
md_deer_analysis
Analyzes simulation results from restrained-ensemble, EBMetaD, and BRER simulations
mimatrix
C++/OpenMP code for fast calculation of mutual information matrix
recipes-hpccm
Python scripts for building containers using HPC Container Maker
reveal.js
The HTML Presentation Framework
run_brer_plugins
Plugins for BRER simulations with Gromacs 2020
run_ebmetad
Set of scripts for running EBMetaD simulations using gmxapi
sample_restraint
Fork of https://github.com/kassonlab/sample_restraint to perform EBMetaD and BRER simulations
singularity
singularity-ebmetad
Singularity recipe for running EBMetaD simulations
singularity-gromacs
singularity image for gmx 2019
singularity-restrained-ensemble
Singularity container for restrained-ensemble simulations using gmxapi
singularity-wzm-wzt
smooth-deer
A little commandline tool to perform Gaussian smoothing on DEER data.
wzm_wzt
Testing correlation structure calculations using ABC transporter Wzm-Wzt.
wzm_wzt_plugins
Plugin potentials for correlation structure calculations
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