Icon

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

Nodes

Extensions

Links

Download

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

Download Workflow
Created by: adeplano
Created at: 2020-02-03
On NodePit since: 2020-04-09
Last update: 2026-01-22
Created with KNIME version: v4.1.2

Deploy, schedule, execute, and monitor your KNIME workflows locally, in the cloud or on-premises – with our brand new NodePit Runner.

Try NodePit Runner!