- class openfe.AlchemicalNetwork(edges: Iterable[Transformation] | None = None, nodes: Iterable[ChemicalSystem] | None = None, name: str | None = None)#
- property graph: MultiDiGraph#
A networkx representation of the AlchemicalNetwork
Nodes are represented as
ChemicalSystem
objects and directed edges are represented asTransformation
objects
- 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
ofChemicalSystem
instances.
- classmethod from_graphml(str)#
Currently not implemented