Darwin Openmm

High-performance molecular dynamics simulation toolkit for biomolecular systems. Steps: Step 1: System Preparation & Parametrization; Step 2: MD Simulation Run; Step 3: Trajectory Analysis. Verticals: structural_biology, drug_discovery.

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.