schwancr/word_cloud
A little word cloud generator in Python
Developer Profile
schwancr
Discovered public repositories for schwancr in the GitHub catalog.
schwancr/particles
sklearn for particles
schwancr/water-features
features for water simulations
schwancr/sphinx_rtd_theme
Sphinx theme for readthedocs.org
schwancr/msmbuilder
Statistical models for biomolecular dynamics
schwancr/poplda
Public repository.
schwancr/openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
schwancr/pdbfetcher
Simple python API for querying the RCSB PDB for structures
schwancr/pdbfixer
PDBFixer fixes problems in PDB files
schwancr/water
msms with water
schwancr/cca
implementation of a specific version of CCA where one space is one-dimensional. Maybe I'll extend it later
schwancr/klearn
algorithms for using kernel methods for learning
schwancr/msmexplorer
MSMExplorer is a visualization system for markov state models for protein folding networks
schwancr/mdtraj
Molecular Dynamics Trajectory and File IO
schwancr/semi-nmf
implementation of semi-nmf
schwancr/rxn-coord
implementation of reaction coordinate evaluator detailed by Gerhard Hummer (Best & Hummer. PNAS 2005, 102 pp6732-7)
schwancr/unfoldedstate
solution to the saxs fret debate
schwancr/exchange
code for modeling exchange experiments within the MSM framework (e.g. FPOP, H-D exchange)
schwancr/fah_tica
Public repository.
schwancr/mullermsm
Markov State Models on the Muller potential: a MSMBuilder Tutorial
schwancr/msmbuilder-legacy
Extensible software for building Markov State Models for Biomolecular Conformational Dynamics
schwancr/information
Some information theory stuff -- transfer entropy, etc.
schwancr/schwancr_bin
Collection of scripts that I have made over the last three years
schwancr/datatracker
Python app to track and store data fetched from the web.