kyleabeauchamp/openmoltools
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Discovered public repositories for kyleabeauchamp in the GitHub catalog.
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Binstar Client Library
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scikit-learn: machine learning in Python
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Public repository.
(Hidden) Markov models for Biomolecular Dynamics
Markov State Models on the Muller potential: a MSMBuilder Tutorial
Interactive plotting of MD projections + molecular viewer with HTML5 and WebGL
A module for working with NMR data in Python
Build PDB from sequence.
Public repository.
Statsmodels: statistical modeling and econometrics in Python
Python replica-exchange simulation facility for OpenMM.
GPU-accelerated calculation of ligand binding affinities in implicit and explicit solvent using alchemical free energy methodologies
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Examples of applications of pymbar to various problems in simulation and experiment
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Python implementation of the multistate Bennett acceptance ratio (MBAR)
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Public repository.
Beautiful HTML5 slides in markdown. A easy to use fork of the google-io-2012 slide deck
OpenMM is a toolkit for molecular simulation using high performance GPU code.
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Personal modifications to Google IO 2013 HTML slide generator
Molecular Dynamics Trajectory and File IO
Extensible software for building Markov State Models for Biomolecular Conformational Dynamics
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Public repository.