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Add structures as Generic Entity

Add structures to a LiveDesign LiveReport as Generic Entity

Create or edit input files for testing Trick to export and add images to Generic Entities CSV file to beloaded Datato be uploaded.Use unique IDs. Smiles Add new rows with structures as GEusing the IDs from the CSVStructures,new IDsand some data Smiles Add columns to existingGE rowsIDand some datafake smilesSmiles, ID, data Maestro file to beloaded Smiles Add columns to existingGE rowsCT, ID, data LD Datato be uploaded.Use unique IDs.Add as GEsData preparation CSV Writer CSV Reader Table Creator LiveDesignConnection Molecule Type Cast Export toLiveDesign Column Filter LiveDesignConnection CSV Reader Molecule Type Cast Export toLiveDesign Column Filter ConstantValue Column Column Resorter Molecule Reader(to MAE) Extract Properties Molecule Writer(from MAE) LigPrep Molecule Type Cast Set MAE Properties LiveDesignConnection Export toLiveDesign Column Resorter Export imagesto LiveDesign GE IDs CredentialsConfiguration LiveDesignConnection Renderer to Image Table Creator Export toLiveDesign Metanode Create or edit input files for testing Trick to export and add images to Generic Entities CSV file to beloaded Datato be uploaded.Use unique IDs. Smiles Add new rows with structures as GEusing the IDs from the CSVStructures,new IDsand some data Smiles Add columns to existingGE rowsIDand some datafake smilesSmiles, ID, data Maestro file to beloaded Smiles Add columns to existingGE rowsCT, ID, data LD Datato be uploaded.Use unique IDs.Add as GEsData preparationCSV Writer CSV Reader Table Creator LiveDesignConnection Molecule Type Cast Export toLiveDesign Column Filter LiveDesignConnection CSV Reader Molecule Type Cast Export toLiveDesign Column Filter ConstantValue Column Column Resorter Molecule Reader(to MAE) Extract Properties Molecule Writer(from MAE) LigPrep Molecule Type Cast Set MAE Properties LiveDesignConnection Export toLiveDesign Column Resorter Export imagesto LiveDesign GE IDs CredentialsConfiguration LiveDesignConnection Renderer to Image Table Creator Export toLiveDesign Metanode

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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: jcmozzic
Created at: 2022-12-01
On NodePit since: 2023-10-11
Last update: 2024-04-27
Created with KNIME version: v4.7.1
Tags: SchrodingerLiveDesign

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