GITHUB
All our code is free and open source on GitHub!


OMNIA
Much of our scientific software is part of the Omnia suite of tools based on the OpenMM GPU-accelerated molecular modeling package.
Omnia is powered by Anaconda Cloud and the conda package management framework for Python.


OPENMM
We contribute to the development of the GPU-accelerated OpenMM molecular modeling package, one of the fastest platforms for molecular simulation.


PYMBAR
A Python implementation of the multistate Bennett acceptance ratio method.


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YANK
An open, extensible platform for GPU-accelerated alchemical binding free energy calculations using the OpenMM toolkit.


ASSAYTOOLS
A tool for Bayesian inference of binding affinities and other biophysical model parameters from absorbance and fluorescence assays.


ENSEMBLER
A pipeline for automating omics-scale protein modeling and simulation setup.


OPEN PATH SAMPLING
A flexible and extensible Python framework for transition interface and path sampling calculations.


THERMOPYL
Python tools for retrieving experimental physical property data from the NIST ThermoML Archive.


Find more open source tools from our lab on GitHub.