Workflow to run the molecular parameterization, with PharmScreen, remotely on a variable number of machines.
- To run the workflow fill each option of the Settings node, optionally is possible to manually select the parameters on the Ligand Preparation node.
Workflow
Pharmacelera_LigandPreparation_MultiServer
Used extensions & nodes
Created with KNIME Analytics Platform version 4.1.2
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KNIME AG, Zurich, Switzerland
Version 4.1.1
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KNIME AG, Zurich, Switzerland
Version 4.1.2
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KNIME AG, Zurich, Switzerland
Version 4.1.0
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KNIME AG, Zurich, Switzerland
Version 4.1.2
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KNIME AG, Zurich, Switzerland
Version 4.1.0
Pharmacelera
Version 1.0.0
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