data#
- konnektor.data.get_benzene_ligands() list[SmallMoleculeComponent]#
get the benzene test dataset parsed as SmallMoleculeComponents.
- Returns:
a list of the benzene compounds.
- Return type:
list[SmallMoleculeComponent]
- konnektor.data.get_charged_ligands() list[SmallMoleculeComponent]#
get the benzene test dataset parsed as SmallMoleculeComponents.
- Returns:
a list of the benzene compounds.
- Return type:
list[SmallMoleculeComponent]
- konnektor.data.get_hif2a_ligands() list[SmallMoleculeComponent]#
get the benzene test dataset parsed as SmallMoleculeComponents.
- Returns:
a list of the benzene compounds.
- Return type:
list[SmallMoleculeComponent]