rmcgibbo/PyVB
Python implementation for Variational Bayesian Learning
Developer Profile
rmcgibbo
Discovered public repositories for rmcgibbo in the GitHub catalog.
rmcgibbo/group_meeting_january13
"Hidden Markov Models are Better"
rmcgibbo/logsumexp
Fast SSE logsumexp for python/numpy
rmcgibbo/clusterLP-MPI
Cluster a protein-ligand system with RMSD using separate sets of atoms for the alignment and distance computation.
rmcgibbo/openmm-debpackaging
Public repository.
rmcgibbo/tungsten
Parallel Markov State Model Acceleraed Molecular Dynamics
rmcgibbo/sf
Public repository.
rmcgibbo/msmbuilder3
Work on progress for next iteration of MSMBuilder
rmcgibbo/charm22starvalidation
Validation of the charmm22star forcefield in OpenMM/Desmond
rmcgibbo/pdbfixer
Public repository.
rmcgibbo/resp2
RESP plugin for PSI4
rmcgibbo/psi4public
Ab Initio Quantum Chemistry – a static public mirror of the beta5 release
rmcgibbo/progress_presentation
Presentation for 2nd year progress report
rmcgibbo/openmm-stack
Messing around with wordpress
rmcgibbo/ftz
Flush denormalized numbers to zero in numpy arrays with SSE.
rmcgibbo/watchcompiler
Watch a directory and trigger compilation of new kernels
rmcgibbo/forcebalance
Systematic force field optimization.
rmcgibbo/openmm-cmd
OpenMM Command Line Application
rmcgibbo/KDML
Kinetically Discriminatory Metric Learning -- a plugin for MSMBuilder
rmcgibbo/circular_dichroism
prediction of cd spectra from structures
rmcgibbo/mutations
Notes (and code) on efficiently simulating mutants with MSMs
rmcgibbo/pelican
Static site generator that supports Markdown and reST syntax. Powered by Python.
rmcgibbo/openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
rmcgibbo/oh-my-zsh
A community-driven framework for managing your zsh configuration. Includes 120+ optional plugins (rails, git, OSX, hub, capistrano, brew, ant, macports, etc), over 120 themes to spice up your morning, and an auto-update tool so that makes it easy to keep up with the latest updates from the community.
rmcgibbo/kmeansrmsd
Public repository.
rmcgibbo/sap-clustering
Public repository.
rmcgibbo/mdtraj-performance
appengine app to track the performance of mdtraj
rmcgibbo/nose-performance
A plugin for Nose for running performance tests
rmcgibbo/simtk.unit
Python Units
rmcgibbo/msmaccelerator2.villin
Simulations of Villin-NLE-NLE
rmcgibbo/slidedeck-example
Public repository.
rmcgibbo/slidedeck
Beautiful HTML5 slides in markdown. A easy-to-use fork of the google-io-2012 slide deck
rmcgibbo/group_meeting_april22
Public repository.
rmcgibbo/knitr-examples
a collection of knitr examples
rmcgibbo/msmaccelerator2
Adaptive Sampling Markov State Model Driven Molecular Dynamics
rmcgibbo/bibcheck
Check for issues in bibtex files
rmcgibbo/openmm-webrunner
Support for the "Run Script" button on openmm-webbuilder
rmcgibbo/OpenMM-tools
Additional Tools for the OpenMM toolkit for molecular simulation
rmcgibbo/openmm-pulling
Pulling Simulation and Smoothing
rmcgibbo/openmm-webbuilder
JS/HTML5 webapp for setting up custom GPU-accelerated OpenMM molecular dynamics simulations.
rmcgibbo/openmm-builder
A graphical interface for building (and now running!) OpenMM scripts
rmcgibbo/nebterpolator
Interpolator for generating smooth paths from an ab-intio MD trajectory for NEB calculations.
rmcgibbo/scikit-learn
scikit-learn: machine learning in Python
rmcgibbo/opt-k
Likelihood framework for choosing the optimal number of states in a Markov State Model
rmcgibbo/autogert
Robot Gert
rmcgibbo/msmbuilder_config
Test Project using new config framework
rmcgibbo/dihedral-mutinf
Public repository.
rmcgibbo/okbot
Respond to OkCupid messages with tweets.
rmcgibbo/neb
OpenMM Nudged Elastic Band (NEB) Plugin. Currently only supports steepest descent optimization -- needs a little to switch to a quasti-newton optimizer.