Available descriptors --------------------- Avalon ###### .. autoclass:: optunaz.descriptors.Avalon ECFP #### .. autoclass:: optunaz.descriptors.ECFP :members: ECFP_counts ########### .. autoclass:: optunaz.descriptors.ECFP_counts :members: PathFP ###### .. autoclass:: optunaz.descriptors.PathFP :members: MACCS_keys ########## .. autoclass:: optunaz.descriptors.MACCS_keys :members: UnscaledPhyschemDescriptors ########################### .. autoclass:: optunaz.descriptors.UnscaledPhyschemDescriptors :members: UnscaledJazzyDescriptors ######################## .. autoclass:: optunaz.descriptors.UnscaledJazzyDescriptors :members: UnscaledZScalesDescriptors ########################## .. autoclass:: optunaz.descriptors.UnscaledZScalesDescriptors :members: PhyschemDescriptors ################### .. autoclass:: optunaz.descriptors.PhyschemDescriptors :members: JazzyDescriptors ################ .. autoclass:: optunaz.descriptors.JazzyDescriptors :members: PrecomputedDescriptorFromFile ############################# .. autoclass:: optunaz.descriptors.PrecomputedDescriptorFromFile :members: ZScales ####### .. autoclass:: optunaz.descriptors.ZScalesDescriptors :members: SmilesFromFile ############## .. autoclass:: optunaz.descriptors.SmilesFromFile :members: SmilesAndSideInfoFromFile ######################### .. autoclass:: optunaz.descriptors.SmilesAndSideInfoFromFile :members: ScaledDescriptor ################ .. autoclass:: optunaz.descriptors.ScaledDescriptor :members: CompositeDescriptor ################### .. autoclass:: optunaz.descriptors.CompositeDescriptor :members: AmorProtDescriptors ################### .. autoclass:: optunaz.descriptors.AmorProtDescriptors :members: UnscaledMAPC ############ .. autoclass:: optunaz.descriptors.UnscaledMAPC :members: UnscaledZScalesDescriptors ########################## .. autoclass:: optunaz.descriptors.UnscaledZScalesDescriptors :members: MAPC #### .. autoclass:: optunaz.descriptors.MAPC :members: ZScalesDescriptors ################## .. autoclass:: optunaz.descriptors.ZScalesDescriptors :members: