API Reference

YANK’s API allows users to setup and run their own simulations in programmatic ways. If you would rather run YANK with YAML input files, please see the command line interface and the YAML options.

• Analyze
• Experiment
• MPI
  • Global variables
  • Routines
• MultiState Module
  • MultiStateAnalyzers
  • MultiState
  • MultistateSampler
  • ReplicaExchangeSampler
  • ParallelTemperingSampler
  • SamsSampler
• Pipeline
• Restraints
• Utils
• Yank

UML class diagram

This UML diagram is a minimal representation of YANK’s structure. This is not meant to be a comprehensive and accurate representation of the API, but only to provide a visual overview of the relationships between the available classes available, their role, and the way the interact with the OpenMMTools framework.