CLI Interface

In addition to the powerful Python API, OpenFE provides a simple command line interface to facilitate some more common (and less complicated) tasks. The Python API tries to be as easy to use as possible, but the CLI provides wrappers around some parts of the Python API to make it easier to integrate into non-Python workflows.

• CLI basics
• Customising CLI planning with YAML settings
  • Customising the atom mapper
  • Customising the network planner
  • Customising the partial charge generation