A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.

copied from cf-staging / openmmtools

Installers

conda install

  • linux-64  v0.20.0
  • osx-64  v0.20.0
  • noarch  v0.21.5
To install this package run one of the following:
conda install -c conda-forge openmmtools

Description

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.


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