Supported Applications
OpenFreeEnergy
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Description
is a Python package for executing alchemical free energy calculations. It provides robust, permissively licensed open-source tools for molecular simulation in the drug discovery field, enabling users to easily plan and execute alchemical free energy calculations.
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Usage
To list all executables provided by OpenFreeEnergy, run:$ sbgrid-list open-free-energy -
Installation
Use the following command to install this title with the CLI client:$ sbgrid-cli install open-free-energyAvailable operating systems: Linux 64, OS X INTEL
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Keywords
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Default Versions
Linux 64: 1.6.0 (5.2 GB)
OS X INTEL: 1.6.0 (4.4 GB)