Pipelines & Workflow Elements
Darwin Gnina
CNN-based molecular docking with deep learning scoring for structure-based drug discovery.
RunnableWorkflow
Catalog entry
About this entry
CNN-based molecular docking with deep learning scoring for structure-based drug discovery. Steps: Step 1: Protein & Ligand Preparation; Step 2: GNINA Docking Inference; Step 3: Pose Ranking & Binding Analysis. Verticals: drug_discovery, structural_biology.
Use in DarwinOmics
How to use it
Use this workflow element when the submitted analysis needs a multi-step execution path, imported workflow, Darwinomics wrapper, or workflow-scale comparison rather than a single module.