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Pharmacelera_​VS_​MultiServer

Workflow to run the 3D Ligand-Based Virtual Screening, with PharmScreen, remotely on a variable number of machines.

- To run the workflow fill each option of the Settings node, optionally is possible to perform a customized Virtual Screening changing the parameters on the Virtual Screening node.

Pharmacelera Knime WorkFlow: Pharmacelera_VS_MultiServerWorkflow to run the 3D Ligand-Based Virtual Screening, with PharmScreen, remotely on a variable number of machines.- To run the workflow fill each option of the Settings node, optionally is possible to perform a customized Virtual Screening changing the parameters onthe Virtual Screening node. Settings Parallel Execution Output sdfRankingcsvRanking ParallelChunk Start Settings Virtual Screening Parallel ChunkEnd (multi port) SDF Writer CSV Writer csvRankingPreparation Joiner sdfRankingPreparation Pharmacelera Knime WorkFlow: Pharmacelera_VS_MultiServerWorkflow to run the 3D Ligand-Based Virtual Screening, with PharmScreen, remotely on a variable number of machines.- To run the workflow fill each option of the Settings node, optionally is possible to perform a customized Virtual Screening changing the parameters onthe Virtual Screening node. Settings Parallel Execution Output sdfRankingcsvRanking ParallelChunk Start Settings Virtual Screening Parallel ChunkEnd (multi port) SDF Writer CSV Writer csvRankingPreparation Joiner sdfRankingPreparation

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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: 2024-12-21
Created with KNIME version: v4.1.2

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