Icon

test1

PDB 2 SDFNode 3275Collect resultsSDF 2 RDKitCompute descriptorsNode 3279Node 3280Node 3281SDF 2 RDKitMolConverter CASE SwitchData (Start) CASE SwitchData (End) RDKit From Molecule RDKit DescriptorCalculation Load LocalPDB Files Table Rowto Variable Rule EngineVariable RDKit From Molecule PDB 2 SDFNode 3275Collect resultsSDF 2 RDKitCompute descriptorsNode 3279Node 3280Node 3281SDF 2 RDKitMolConverter CASE SwitchData (Start) CASE SwitchData (End) RDKit From Molecule RDKit DescriptorCalculation Load LocalPDB Files Table Rowto Variable Rule EngineVariable RDKit From Molecule

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: gu19888
Created at: 2019-09-30
On NodePit since: 2025-08-12
Last update: 2025-08-12
Created with KNIME version: v4.0.1

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

Try NodePit Runner!