class openfe.AlchemicalNetwork(edges: Iterable[Transformation] | None = None, nodes: Iterable[ChemicalSystem] | None = None, name: str | None = None)#

A network with all the information needed for a simulation campaign.

Nodes are ChemicalSystem instances and edges are Transformation instances.

property graph#
property edges: frozenset[gufe.transformations.transformation.Transformation]#

Network edges as a frozenset of Transformation instances.

property nodes: frozenset[gufe.chemicalsystem.ChemicalSystem]#

Network nodes as a frozenset of ChemicalSystem instances.

property name: str | None#

Optional identifier for the network.

to_graphml() str#
classmethod from_graphml(str)#