BespokeFit documentation

Commands

BespokeFit provides a full command line interface to its major features under the alias openff-bespoke. The CLI is organised into sub-commands similar to conda, GROMACS, git and apt. This CLI is self-documenting via the --help switch which is available on any subcommand:

openff-bespoke --help
openff-bespoke executor launch --help

See the quick start guide for examples of using the CLI.