OpenMMTools

A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine. openmmtools is a Python library layer that sits on top of OpenMM to provide access to a variety of useful tools for building full-featured molecular simulation packages.

homepage: https://github.com/choderalab/openmmtools

version	versionsuffix	toolchain
0.20.0	-Python-3.8.2	intel/2020a

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