Robert T. McGibbon

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

npcuda-example. Example python (numpy) -- CUDA installable package with a C-extension library

jupyter-emacskeys. Emacs keybindings for Jupyter notebook

python-appveyor-conda-example. Demo project for building and shipping Python conda packages with Appveyor CI and Travis CI

reftagger. Parse and tag unstructured academic citations.

pyhmc. Hamiltonain Monte Carlo in Python

logsumexp. Fast SSE logsumexp for python/numpy

pyvdwsurface. Molecular (Van der Waals) surface.

figshare. Command line client for figshare

sphinxcontrib-autodoc_doxygen. Sphinx / Doxygen bridge

covar. Compute shrinkage estimates of the covariance matrix

sphinxcontrib-lunrsearch. Instant search for Sphinx

async-priority-channel. Rust

openmm-webbuilder. JS/HTML5 webapp for setting up custom GPU-accelerated OpenMM molecular dynamics simulations.

mydra. Python

mullermsm. Markov State Models on the Muller potential: a MSMBuilder Tutorial

Jarvis. C++

resp2. RESP plugin for PSI4

r-rmcgibbo. Python

openmm-cookbook. A collection of code snippets for doing molecular simulations with OpenMM.

execgraph. Parallel execution of shell commands with DAG dependencies

msmaccelerator2. Adaptive Sampling Markov State Model Driven Molecular Dynamics

qchem-utils. Utilities for working with Q-Chem

information. Some information theory stuff -- transfer entropy, etc.

openmm-cmd. OpenMM Command Line Application

ropen. Rust

nixpkgs-hammering-action. Python

history. An enhanced history(1) for bash

conda-hint. Hint generation for conda resolver.

projector. Interactive plotting of MD projections + molecular viewer with HTML5 and WebGL

simtk.unit. Python Units

pypatchelf. Patchelf utility, packaged for python/pip

osprey. osprey is the plumbing for machine learning hyperparameter optimization.

idle-trigger. Trigger a command when the CPUs are idle

cargo-remote. cargo subcommand to compile rust projects remotely

doccheck. Check that docstrings satisfy Numpy format

hdf5pickle. Fast persistence of Python objects to HDF5 files

sudoku. Haskell Sudoku Solver

circular_dichroism. prediction of cd spectra from structures

post-build-postgres. Nix post-build-hook to upload to postgresql

msmbuilder3. Work on progress for next iteration of MSMBuilder

nixpkgs-review. Review pull-requests on https://github.com/NixOS/nixpkgs

nixpkgs-hammering-action-example. See https://github.com/rmcgibbo/nixpkgs-hammering-action

cache-dash-h. cache the help text for your dog-slow scripts

okbot. Respond to OkCupid messages with tweets.

nixpkgs-hammering. Beat your package expressions into a shape

arduino. Personal arduino projects

nix-unsafePlugins. This is unsafe. Don't use it.

numpy. Numpy main repository

pubchem-utils. Utilities for interacting with PubChem

tokio-command-fds. A Rust library for passing arbitrary file descriptors when spawning child processes.

numpy-mypy. Python

holmes_rubin. Holmes-Rubin EM Estimator for Continuous-Time Markov processes

manylinux. Python wheels that work on any linux (almost)

gh-util. Github command line utilities

python-flake-utils. Nix