A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
copied from cf-staging / openmmtoolsconda install conda-forge::openmmtools
conda install conda-forge/label/broken::openmmtools
conda install conda-forge/label/openmmtools_dev::openmmtools
conda install conda-forge/label/openmmtools_rc::openmmtools
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.