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slidedeck
Beautiful HTML5 slides in markdown. A easy-to-use fork of the google-io-2012 slide decknpcuda-example
Example python (numpy) -- CUDA installable package with a C-extension libraryjupyter-emacskeys
Emacs keybindings for Jupyter notebookpython-appveyor-conda-example
Demo project for building and shipping Python conda packages with Appveyor CI and Travis CIreftagger
Parse and tag unstructured academic citations.pyhmc
Hamiltonain Monte Carlo in Pythonlogsumexp
Fast SSE logsumexp for python/numpyfigshare
Command line client for figsharepyvdwsurface
Molecular (Van der Waals) surface.sphinxcontrib-autodoc_doxygen
Sphinx / Doxygen bridgecovar
Compute shrinkage estimates of the covariance matrixsphinxcontrib-lunrsearch
Instant search for Sphinxmydra
openmm-webbuilder
JS/HTML5 webapp for setting up custom GPU-accelerated OpenMM molecular dynamics simulations.async-priority-channel
mullermsm
Markov State Models on the Muller potential: a MSMBuilder Tutorialr-rmcgibbo
openmm-cookbook
A collection of code snippets for doing molecular simulations with OpenMM.msmaccelerator2
Adaptive Sampling Markov State Model Driven Molecular DynamicsJarvis
execgraph
Parallel execution of shell commands with DAG dependenciesopenmm-cmd
OpenMM Command Line Applicationqchem-utils
Utilities for working with Q-Cheminformation
Some information theory stuff -- transfer entropy, etc.nixpkgs-hammering-action
projector
Interactive plotting of MD projections + molecular viewer with HTML5 and WebGLconda-hint
Hint generation for conda resolver.history
An enhanced history(1) for bashpypatchelf
Patchelf utility, packaged for python/pipsimtk.unit
Python Unitsropen
hpcutils
Command line utilities for working remotely on HPC clusters.msmbuilder3
Work on progress for next iteration of MSMBuilderdoccheck
Check that docstrings satisfy Numpy formatsudoku
Haskell Sudoku Solverpost-build-postgres
Nix post-build-hook to upload to postgresqlcache-dash-h
cache the help text for your dog-slow scriptsmutations
Notes (and code) on efficiently simulating mutants with MSMsokbot
Respond to OkCupid messages with tweets.fsync
Use your local GUI editor for remote development over SSHopt-k
Likelihood framework for choosing the optimal number of states in a Markov State Modelidle-trigger
Trigger a command when the CPUs are idlecircular_dichroism
prediction of cd spectra from structuresmetric-learning
metric learning stuffminimsmbuilder
hdf5pickle
Fast persistence of Python objects to HDF5 filesnixpkgs-hammering-action-example
See https://github.com/rmcgibbo/nixpkgs-hammering-actionGPURMSD
Yutong's GPU accelerated RMSD codeprecedenceConstrainedKnapsack
Precedence constrained knapsack problem solvercargo-remote
cargo subcommand to compile rust projects remotelypython-flake-utils
ipython_parallel_profiles
profiles for IPython.parallelbibtex-resolver
holmes_rubin
Holmes-Rubin EM Estimator for Continuous-Time Markov processesarduino
Personal arduino projectstungsten
Parallel Markov State Model Acceleraed Molecular Dynamicsrmcgibbo-config
My config files (bashrcs, etc) to be synced across machineszmq-objc-framework
Objective-C binding for ZeroMQ. Fork of https://github.com/jeremy-w/objc-zmqcctools-3.4.2-fork
Fork of cctools (workqueue) for MSMAcceleratorbagofwaves
rmcgibbo.org
professional websitewavekernel
oom-enospc-notify
Detect OOM and ENOSPC errors with BPFkmeansrmsd
openmm-pulling
Pulling Simulation and Smoothingopenmm-builder
A graphical interface for building (and now running!) OpenMM scriptstoy-systems
nebterpolator
Interpolator for generating smooth paths from an ab-intio MD trajectory for NEB calculations.openmm-debpackaging
adaptive-group-testing
https://en.wikipedia.org/wiki/Group_testing#Generalised_binary-splitting_algorithmneb
OpenMM Nudged Elastic Band (NEB) Plugin. Currently only supports steepest descent optimization -- needs a little to switch to a quasti-newton optimizer.nix-unsafePlugins
This is unsafe. Don't use it.gh-util
Github command line utilitiesnumpy-mypy
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