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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 CIpyhmc
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
resp2
RESP plugin for PSI4openmm-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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