- openfe.setup.ligand_network_planning.load_orion_network(ligands: list[gufe.components.smallmoleculecomponent.SmallMoleculeComponent], mapper: AtomMapper, network_file: str | Path) LigandNetwork #
Load a
LigandNetwork
from an Orion NES network file.- Parameters:
ligands (list of SmallMoleculeComponent) – the small molecules to place into the network
mapper (AtomMapper) – the atom mapper to use to construct edges
network_file (str) – path to NES network file.
- Return type:
- Raises:
KeyError – If an unexpected line format is encountered.