bas-rustenburg

jsmol-local

An example of how to set up jsmol locally on a webpage.

movie-templates

Jinja2 templates for pymol movie scripts

thinkpad-yoga

Gathering some scripts to enable functionality on my Thinkpad Yoga (Ubuntu 14.04)

host-guest

Host-guest system data and simulations

ace

Admission to candidacy exam.

ace-presentation

Working on presentations for the ACE exam

adaptiveDesignProcedure

A design procedure of the training data for Machine Learning algorithms able to iteratively add datapoints according to function discrete gradient

bayesian-itc

Python tools for the analysis and modeling of isothermal titration calorimetry (ITC) experiments.

cbio-poster

conda-recipes

conda build recipes for the Omnia project

constph-openmm

OpenMM testbed for constant-pH methodologies.

docco

Literate Programming can be Quick and Dirty.

glenmorangie

This is a test repo!

her2

HER2 mutants

itctools

Tools for setting up ITC experiments in an automated fashion using the Tecan EVO and Auto-iTC 200.

latex-manuscript-template

Simple LaTeX manuscript template

LaTeX_docs

LaTeX documents

mathslax

Slack plugin to render math using MathJax

mdtraj

A modern, open library for the analysis of molecular dynamics trajectories

openmm

OpenMM is a toolkit for molecular simulation using high performance GPU code.

openmmtools

Test systems for OpenMM

openmoltools

An open set of tools for automating tasks relating to small molecules

peanut

presentations

A collection of presentations I have given.

prezto

The configuration framework for Zsh

ProjectEuler

Place for me to store my Project Euler solutions. https://projecteuler.net

pyZacros

Python library to handle KMC codes.

robots

Chodera lab automation scripts (currently private, will move to public)

slidedeck

Beautiful HTML5 slides in markdown. A easy-to-use fork of the google-io-2012 slide deck

yank

An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.