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jchodera committed May 14, 2017
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A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.

``openmmtools`` is a Python library layer that sits on top of `OpenMM <http://openmm.org>`_ to provide access to a variety of useful tools for building full-featured molecular simulation packages.
`openmmtools` is a Python library layer that sits on top of [OpenMM](http://openmm.org) to provide access to a variety of useful tools for building full-featured molecular simulation packages.

Features include:

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