All modules for which code is available

• builtins
• stk._internal.atom
• stk._internal.atom_info
• stk._internal.bond
• stk._internal.bond_info
• stk._internal.building_block
• stk._internal.constructed_molecule
• stk._internal.construction_result.construction_result
• stk._internal.construction_state.construction_state
• stk._internal.construction_state.graph_state
• stk._internal.construction_state.molecule_state.molecule_state
• stk._internal.databases.constructed_molecule
• stk._internal.databases.molecule
• stk._internal.databases.mongo_db.constructed_molecule
• stk._internal.databases.mongo_db.molecule
• stk._internal.databases.mongo_db.value
• stk._internal.databases.value
• stk._internal.ea.crossover.genetic_recombination
• stk._internal.ea.crossover.molecule_crosser
• stk._internal.ea.crossover.random
• stk._internal.ea.crossover.record
• stk._internal.ea.evolutionary_algorithm.evolutionary_algorithm
• stk._internal.ea.fitness_calculators.fitness_calculator
• stk._internal.ea.fitness_calculators.fitness_function
• stk._internal.ea.fitness_calculators.property_vector
• stk._internal.ea.fitness_normalizers.add
• stk._internal.ea.fitness_normalizers.divide_by_mean
• stk._internal.ea.fitness_normalizers.fitness_normalizer
• stk._internal.ea.fitness_normalizers.multiply
• stk._internal.ea.fitness_normalizers.null
• stk._internal.ea.fitness_normalizers.power
• stk._internal.ea.fitness_normalizers.replace_fitness
• stk._internal.ea.fitness_normalizers.sequence
• stk._internal.ea.fitness_normalizers.shift_up
• stk._internal.ea.fitness_normalizers.sum
• stk._internal.ea.generation
• stk._internal.ea.molecule_record
• stk._internal.ea.mutation.mutator
• stk._internal.ea.mutation.random
• stk._internal.ea.mutation.random_building_block
• stk._internal.ea.mutation.random_topology_graph
• stk._internal.ea.mutation.record
• stk._internal.ea.mutation.similar_building_block
• stk._internal.ea.plotters.progress
• stk._internal.ea.plotters.selection
• stk._internal.ea.selection.batch
• stk._internal.ea.selection.selectors.above_average
• stk._internal.ea.selection.selectors.best
• stk._internal.ea.selection.selectors.filter_batches
• stk._internal.ea.selection.selectors.filter_molecules
• stk._internal.ea.selection.selectors.remove_batches
• stk._internal.ea.selection.selectors.remove_molecules
• stk._internal.ea.selection.selectors.roulette
• stk._internal.ea.selection.selectors.selector
• stk._internal.ea.selection.selectors.stochastic_universal_sampling
• stk._internal.ea.selection.selectors.tournament
• stk._internal.ea.selection.selectors.worst
• stk._internal.elements
• stk._internal.functional_group_factories.alcohol_factory
• stk._internal.functional_group_factories.aldehyde_factory
• stk._internal.functional_group_factories.amide_factory
• stk._internal.functional_group_factories.boronic_acid_factory
• stk._internal.functional_group_factories.bromo_factory
• stk._internal.functional_group_factories.carboxylic_acid_factory
• stk._internal.functional_group_factories.dibromo_factory
• stk._internal.functional_group_factories.difluoro_factory
• stk._internal.functional_group_factories.diol_factory
• stk._internal.functional_group_factories.fluoro_factory
• stk._internal.functional_group_factories.functional_group_factory
• stk._internal.functional_group_factories.iodo_factory
• stk._internal.functional_group_factories.primary_amino_factory
• stk._internal.functional_group_factories.ring_amine_factory
• stk._internal.functional_group_factories.secondary_amino_factory
• stk._internal.functional_group_factories.smarts
• stk._internal.functional_group_factories.terminal_alkene_factory
• stk._internal.functional_group_factories.terminal_alkyne_factory
• stk._internal.functional_group_factories.thioacid_factory
• stk._internal.functional_group_factories.thiol_factory
• stk._internal.functional_groups.alcohol
• stk._internal.functional_groups.aldehyde
• stk._internal.functional_groups.alkene
• stk._internal.functional_groups.alkyne
• stk._internal.functional_groups.amide
• stk._internal.functional_groups.boronic_acid
• stk._internal.functional_groups.bromo
• stk._internal.functional_groups.carboxylic_acid
• stk._internal.functional_groups.dibromo
• stk._internal.functional_groups.difluoro
• stk._internal.functional_groups.diol
• stk._internal.functional_groups.fluoro
• stk._internal.functional_groups.functional_group
• stk._internal.functional_groups.generic_functional_group
• stk._internal.functional_groups.iodo
• stk._internal.functional_groups.primary_amino
• stk._internal.functional_groups.ring_amine
• stk._internal.functional_groups.secondary_amino
• stk._internal.functional_groups.single_atom
• stk._internal.functional_groups.thioacid
• stk._internal.functional_groups.thiol
• stk._internal.json_serde.constructed_molecule
• stk._internal.json_serde.molecule
• stk._internal.key_makers.inchi
• stk._internal.key_makers.inchi_key
• stk._internal.key_makers.molecule
• stk._internal.key_makers.smiles
• stk._internal.molecule
• stk._internal.optimizers.collapser
• stk._internal.optimizers.mchammer
• stk._internal.optimizers.null
• stk._internal.optimizers.optimizer
• stk._internal.optimizers.periodic_collapser
• stk._internal.optimizers.spinner
• stk._internal.periodic_info
• stk._internal.reaction_factories.dative_reaction_factory
• stk._internal.reaction_factories.generic_reaction_factory
• stk._internal.reaction_factories.reaction_factory
• stk._internal.reactions.dative_reaction.dative_reaction
• stk._internal.reactions.one_one_reaction
• stk._internal.reactions.one_two_reaction
• stk._internal.reactions.reaction.reaction
• stk._internal.reactions.reaction.reaction_result
• stk._internal.reactions.ring_amine_reaction
• stk._internal.reactions.two_two_reaction
• stk._internal.topology_graphs.cage.cage
• stk._internal.topology_graphs.cage.eight_plus_sixteen
• stk._internal.topology_graphs.cage.eight_plus_twelve
• stk._internal.topology_graphs.cage.five_plus_ten
• stk._internal.topology_graphs.cage.four_plus_eight
• stk._internal.topology_graphs.cage.four_plus_four
• stk._internal.topology_graphs.cage.four_plus_six
• stk._internal.topology_graphs.cage.four_plus_six_2
• stk._internal.topology_graphs.cage.m12l24
• stk._internal.topology_graphs.cage.m24l48
• stk._internal.topology_graphs.cage.m2l4_lantern
• stk._internal.topology_graphs.cage.m3l3_triangle
• stk._internal.topology_graphs.cage.m3l6
• stk._internal.topology_graphs.cage.m4l4_square
• stk._internal.topology_graphs.cage.m4l4_tetrahedron
• stk._internal.topology_graphs.cage.m4l6_tetrahedron
• stk._internal.topology_graphs.cage.m4l6_tetrahedron_spacer
• stk._internal.topology_graphs.cage.m4l8
• stk._internal.topology_graphs.cage.m6l12_cube
• stk._internal.topology_graphs.cage.m6l2l3_prism
• stk._internal.topology_graphs.cage.m8l6_cube
• stk._internal.topology_graphs.cage.one_plus_one
• stk._internal.topology_graphs.cage.six_plus_eight
• stk._internal.topology_graphs.cage.six_plus_nine
• stk._internal.topology_graphs.cage.six_plus_twelve
• stk._internal.topology_graphs.cage.ten_plus_twenty
• stk._internal.topology_graphs.cage.three_plus_six
• stk._internal.topology_graphs.cage.twelve_plus_thirty
• stk._internal.topology_graphs.cage.twenty_plus_thirty
• stk._internal.topology_graphs.cage.two_plus_four
• stk._internal.topology_graphs.cage.two_plus_three
• stk._internal.topology_graphs.cage.two_plus_two
• stk._internal.topology_graphs.cage.vertices
• stk._internal.topology_graphs.cof.cof
• stk._internal.topology_graphs.cof.hexagonal
• stk._internal.topology_graphs.cof.honeycomb
• stk._internal.topology_graphs.cof.kagome
• stk._internal.topology_graphs.cof.linkerless_honeycomb
• stk._internal.topology_graphs.cof.periodic_hexagonal
• stk._internal.topology_graphs.cof.periodic_honeycomb
• stk._internal.topology_graphs.cof.periodic_kagome
• stk._internal.topology_graphs.cof.periodic_linkerless_honeycomb
• stk._internal.topology_graphs.cof.periodic_square
• stk._internal.topology_graphs.cof.square
• stk._internal.topology_graphs.cof.vertices
• stk._internal.topology_graphs.edge
• stk._internal.topology_graphs.edge_group
• stk._internal.topology_graphs.host_guest.complex
• stk._internal.topology_graphs.host_guest.vertices
• stk._internal.topology_graphs.macrocycle.macrocycle
• stk._internal.topology_graphs.macrocycle.vertices
• stk._internal.topology_graphs.metal_complex.bidentate_square_planar
• stk._internal.topology_graphs.metal_complex.cis_protected_square_planar
• stk._internal.topology_graphs.metal_complex.metal_complex
• stk._internal.topology_graphs.metal_complex.octahedral
• stk._internal.topology_graphs.metal_complex.octahedral_delta
• stk._internal.topology_graphs.metal_complex.octahedral_lambda
• stk._internal.topology_graphs.metal_complex.paddlewheel
• stk._internal.topology_graphs.metal_complex.porphyrin
• stk._internal.topology_graphs.metal_complex.square_planar
• stk._internal.topology_graphs.metal_complex.vertices
• stk._internal.topology_graphs.polymer.linear
• stk._internal.topology_graphs.polymer.vertices
• stk._internal.topology_graphs.rotaxane.nrotaxane
• stk._internal.topology_graphs.rotaxane.vertices
• stk._internal.topology_graphs.small.ncore
• stk._internal.topology_graphs.small.vertices
• stk._internal.topology_graphs.topology_graph.topology_graph
• stk._internal.topology_graphs.vertex
• stk._internal.utilities.utilities
• stk._internal.writers.mdl_mol
• stk._internal.writers.pdb
• stk._internal.writers.turbomole
• stk._internal.writers.xyz