The server application running on the remote HPC clusters needs
access to the compound libraries that should be used for virtual
screening. New compound libaries to be used for remote screening can
directly be generated remotely, exploiting the compute capabilities
of the underlying HPC cluster.
Use the generated databases as input for new remote screening jobs
via the
Database List
node.
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To use this node in KNIME, install the extension LigandScout Extensions for the KNIME Workbench from the below update site following our NodePit Product and Node Installation Guide:
A zipped version of the software site can be downloaded here.
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