openfe.utils#

Utilities and tools for OpenFE.

Of particular note is the GufeTokenizable class, which enforces immutability and provides serialization tools for most OpenFE data types.

Modules

custom_typing

Functions

requires_package

Helper function to denote that a funciton requires some optional dependency.

without_oechem_backend

For temporarily removing oechem from openff's toolkit registry

log_system_probe

Print the system information via configurable logging.

Classes

GufeTokenizable

Base class for all tokenizeable gufe objects.