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Pharmacelera_​LigandPreparation_​MultiServer

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.

Pharmacelera Knime WorkFlow: Pharmacelera_LigandPreparation_MultiServerWorkflow 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 parameterson the Ligand Preparation node. Settings Parallel Execution Output ParallelChunk Start Ligand Preparation Parallel Chunk End SDF Writer Settings Pharmacelera Knime WorkFlow: Pharmacelera_LigandPreparation_MultiServerWorkflow 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 parameterson the Ligand Preparation node. Settings Parallel Execution Output ParallelChunk Start Ligand Preparation Parallel Chunk End SDF Writer Settings

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To use this workflow in KNIME, download it from the below URL and open it in KNIME:

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Created by: adeplano
Created at: 2020-02-03
On NodePit since: 2020-04-09
Last update: 2024-11-21
Created with KNIME version: v4.1.2

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