Index

_

__add__() (hippo.cset.CompoundSet method) (hippo.cset.IngredientSet method) (hippo.pose.Pose method) (hippo.price.Price method) (hippo.pset.PoseSet method) (hippo.recipe.Recipe method) (hippo.rset.ReactionSet method) (hippo.tags.TagSet method) __and__() (hippo.cset.CompoundSet method) (hippo.pset.PoseSet method) __call__() (hippo.cset.CompoundTable method) (hippo.cset.IngredientSet method) (hippo.pset.PoseSet method) (hippo.pset.PoseTable method) (hippo.scoring.Attribute method) __contains__() (hippo.cset.CompoundSet method) (hippo.cset.IngredientSet method) (hippo.tags.TagSet method) __delitem__() (hippo.metadata.MetaData method) __eq__() (hippo.compound.Compound method) (hippo.compound.Ingredient method) (hippo.pose.Pose method) (hippo.price.Price method) (hippo.reaction.Reaction method) __getattr__() (hippo.animal.HIPPO method) (hippo.compound.Ingredient method) (hippo.cset.IngredientSet method) __getitem__() (hippo.animal.HIPPO method) (hippo.cset.CompoundSet method) (hippo.cset.CompoundTable method) (hippo.cset.IngredientSet method) (hippo.iset.InteractionSet method) (hippo.pset.PoseSet method) (hippo.pset.PoseTable method) (hippo.rset.ReactionSet method) (hippo.tags.TagSet method) __gt__() (hippo.price.Price method) __hash__() (hippo.price.Price method) (hippo.reaction.Reaction method) __iter__() (hippo.cset.CompoundSet method) (hippo.cset.CompoundTable method) (hippo.cset.IngredientSet method) (hippo.iset.InteractionSet method) (hippo.pset.PoseSet method) (hippo.pset.PoseTable method) (hippo.recipe.RouteSet method) (hippo.rset.ReactionSet method) (hippo.tags.TagSet method) __len__() (hippo.cset.CompoundSet method) (hippo.cset.CompoundTable method) (hippo.cset.IngredientSet method) (hippo.iset.InteractionSet method) (hippo.iset.InteractionTable method) (hippo.pset.PoseSet method) (hippo.pset.PoseTable method) (hippo.recipe.RouteSet method) (hippo.rset.ReactionSet method) (hippo.tags.TagSet method) __lt__() (hippo.price.Price method) __mul__() (hippo.price.Price method) __or__() (hippo.cset.CompoundSet method) (hippo.pset.PoseSet method)

__repr__() (hippo.animal.HIPPO method) (hippo.compound.Compound method) (hippo.compound.Ingredient method) (hippo.cset.CompoundSet method) (hippo.cset.CompoundTable method) (hippo.cset.IngredientSet method) (hippo.db.Database method) (hippo.feature.Feature method) (hippo.interaction.Interaction method) (hippo.iset.InteractionSet method) (hippo.iset.InteractionTable method) (hippo.pose.Pose method) (hippo.price.Price method) (hippo.pset.PoseSet method) (hippo.pset.PoseTable method) (hippo.quote.Quote method) (hippo.reaction.Reaction method) (hippo.recipe.Recipe method) (hippo.recipe.Route method) (hippo.recipe.RouteSet method) (hippo.rset.ReactionSet method) (hippo.scoring.Attribute method) (hippo.scoring.Scorer method) (hippo.tags.TagSet method) (hippo.tags.TagTable method) (hippo.target.Target method) __setitem__() (hippo.metadata.MetaData method) __str__() (hippo.animal.HIPPO method) (hippo.compound.Compound method) (hippo.compound.Ingredient method) (hippo.cset.CompoundSet method) (hippo.cset.CompoundTable method) (hippo.cset.IngredientSet method) (hippo.db.Database method) (hippo.feature.Feature method) (hippo.interaction.Interaction method) (hippo.iset.InteractionSet method) (hippo.iset.InteractionTable method) (hippo.pose.Pose method) (hippo.price.Price method) (hippo.pset.PoseSet method) (hippo.pset.PoseTable method) (hippo.quote.Quote method) (hippo.reaction.Reaction method) (hippo.recipe.Recipe method) (hippo.recipe.Route method) (hippo.recipe.RouteSet method) (hippo.rgen.RandomRecipeGenerator method), [1] (hippo.rgen.RandomSelectionGenerator method), [1] (hippo.rset.ReactionSet method) (hippo.scoring.Attribute method) (hippo.scoring.Scorer method) (hippo.tags.TagSet method) (hippo.tags.TagTable method) (hippo.target.Target method) __sub__() (hippo.cset.CompoundSet method) (hippo.pset.PoseSet method) __truediv__() (hippo.price.Price method) __xor__() (hippo.cset.CompoundSet method) (hippo.pset.PoseSet method)

A

accordion() (hippo.web.ProjectPage method) add() (hippo.cset.CompoundSet method) (hippo.cset.IngredientSet method) (hippo.rset.ReactionSet method) (hippo.tags.TagSet method) add_custom_attribute() (hippo.scoring.Scorer method) add_enamine_quote() (hippo.animal.HIPPO method) add_hippo_logo() (in module hippo.plotting) add_hits() (hippo.animal.HIPPO method) add_ingredient() (hippo.recipe.Recipe method) add_mcule_quote() (hippo.animal.HIPPO method) add_punchcard_logo() (in module hippo.plotting) add_recipes() (hippo.scoring.Scorer method) add_scaffold() (hippo.compound.Compound method) add_soakdb_compounds() (hippo.animal.HIPPO method) add_stock() (hippo.compound.Compound method) add_subsite() (hippo.pose.Pose method) add_syndirella_elabs() (hippo.animal.HIPPO method) add_syndirella_routes() (hippo.animal.HIPPO method) add_syndirella_scaffolds() (hippo.animal.HIPPO method) add_tag() (hippo.compound.Compound method) (hippo.cset.CompoundSet method) (hippo.pset.PoseSet method) add_to_all_reactants() (hippo.recipe.Recipe method) alias (hippo.compound.Compound property) (hippo.pose.Pose property) aliases (hippo.pset.PoseSet property) (hippo.pset.PoseTable property) all() (hippo.iset.InteractionSet class method)

all_elab_poses (hippo.web.ProjectPage property) all_elabs (hippo.web.ProjectPage property) all_scaffold_poses (hippo.web.ProjectPage property) all_scaffolds (hippo.web.ProjectPage property) amount (hippo.compound.Ingredient property) (hippo.price.Price property) (hippo.quote.Quote property) (hippo.rgen.RandomSelectionGenerator property), [1] angle (hippo.interaction.Interaction property) animal (hippo.web.ProjectPage property) apo_path (hippo.pose.Pose property) append() (hippo.metadata.MetaData method) append_to_metadata() (hippo.pset.PoseSet method) as_ingredient() (hippo.compound.Compound method) as_ingredientset() (hippo.cset.CompoundSet method) atom_ids (hippo.interaction.Interaction property) atom_names (hippo.feature.Feature attribute) atomtype_dict (hippo.compound.Compound property) (hippo.cset.CompoundSet property) Attribute (class in hippo.scoring) attribute_keys (hippo.scoring.Scorer property) attributes (hippo.scoring.Scorer property) auto_compute_bfps (hippo.db.Database property) avg_distance_score (hippo.pset.PoseSet property) avg_energy_score (hippo.pset.PoseSet property) avg_num_atoms_added (hippo.cset.CompoundSet property) avg_num_interaction_type_residue_pairs_per_pose (hippo.iset.InteractionSet property) avg_num_interactions_per_feature (hippo.iset.InteractionSet property) avg_num_interactions_per_pose (hippo.iset.InteractionSet property) avg_num_residues_per_pose (hippo.iset.InteractionSet property)

B

backbone (hippo.feature.Feature property) backup() (hippo.db.Database method) balanced_pop() (hippo.recipe.RouteSet method) best (hippo.scoring.Scorer property) best_placed_pose (hippo.compound.Compound property) (hippo.pset.PoseSet property)

best_placed_pose_id (hippo.pset.PoseSet property) best_placed_poses (hippo.cset.CompoundSet property) bins (hippo.scoring.Attribute property) button() (hippo.web.ProjectPage method)

C

calculate_all_murcko_scaffolds() (hippo.db.Database method) calculate_all_scaffolds() (hippo.db.Database method) calculate_classic_fingerprint() (hippo.pose.Pose method) calculate_features() (hippo.target.Target method) calculate_inspiration_scores() (hippo.pset.PoseSet method) calculate_interactions() (hippo.pose.Pose method) calculate_prolif_interactions() (hippo.pose.Pose method) catalogue (hippo.quote.Quote property) chain_name (hippo.feature.Feature attribute) chain_res_name_number_str (hippo.feature.Feature property) check_chemistry() (hippo.reaction.Reaction method) check_integrity() (hippo.recipe.Recipe method) check_reactant_availability() (hippo.reaction.Reaction method) classic_fingerprint (hippo.iset.InteractionSet property) (hippo.pose.Pose property) classify() (hippo.compound.Compound method) clear() (hippo.tags.TagSet method) close() (hippo.db.Database method) cluster_map (hippo.recipe.RouteSet property) column_names() (hippo.db.Database method) combination() (hippo.quote.Quote class method) combined_compound_ids (hippo.recipe.Recipe property) combined_compounds (hippo.recipe.Recipe property) commit() (hippo.db.Database method) compare() (hippo.scoring.Scorer method) complex_system (hippo.pose.Pose property) Compound (class in hippo.compound) compound (hippo.compound.Ingredient property) (hippo.pose.Pose property) (hippo.quote.Quote property) compound_grid() (hippo.web.ProjectPage method) compound_id (hippo.compound.Ingredient property) (hippo.pose.Pose property) compound_ids (hippo.cset.IngredientSet property) compound_image() (hippo.web.ProjectPage method) compound_pool (hippo.rgen.RandomSelectionGenerator property), [1] compound_price_amount_str (hippo.compound.Ingredient property) compounds (hippo.animal.HIPPO property) (hippo.cset.IngredientSet property) (hippo.pset.PoseSet property) (hippo.recipe.Recipe property)

CompoundSet (class in hippo.cset) CompoundTable (class in hippo.cset) connect() (hippo.db.Database method) connection (hippo.db.Database property) copy() (hippo.cset.CompoundSet method) (hippo.cset.IngredientSet method) (hippo.price.Price method) (hippo.recipe.Recipe method) (hippo.recipe.RouteSet method) (hippo.rset.ReactionSet method) copy_from() (hippo.db.Database class method) copy_interactions_to_temp() (hippo.db.Database method) copy_temp_interactions() (hippo.db.Database method) count() (hippo.db.Database method) count_by_tag() (hippo.cset.CompoundSet method) count_where() (hippo.db.Database method) create_blank_db() (hippo.db.Database method) create_metadata_id_map() (hippo.db.Database method) create_table_component() (hippo.db.Database method) create_table_compound() (hippo.db.Database method) create_table_feature() (hippo.db.Database method) create_table_inspiration() (hippo.db.Database method) create_table_interaction() (hippo.db.Database method) create_table_pattern_bfp() (hippo.db.Database method) create_table_pose() (hippo.db.Database method) create_table_quote() (hippo.db.Database method) create_table_reactant() (hippo.db.Database method) create_table_reaction() (hippo.db.Database method) create_table_route() (hippo.db.Database method) create_table_scaffold() (hippo.db.Database method) create_table_subsite() (hippo.db.Database method) create_table_subsite_tag() (hippo.db.Database method) create_table_tag() (hippo.db.Database method) create_table_target() (hippo.db.Database method) currency (hippo.price.Price property) (hippo.quote.Quote property) currency_symbol (hippo.quote.Quote property) cursor (hippo.db.Database property) CustomAttribute (class in hippo.scoring)

D

data (hippo.recipe.RouteSet property) Database (class in hippo.db) date (hippo.quote.Quote property) db (hippo.animal.HIPPO property) (hippo.compound.Compound property) (hippo.compound.Ingredient property) (hippo.cset.CompoundSet property) (hippo.cset.CompoundTable property) (hippo.cset.IngredientSet property) (hippo.interaction.Interaction property) (hippo.iset.InteractionSet property) (hippo.iset.InteractionTable property) (hippo.metadata.MetaData property) (hippo.pose.Pose property) (hippo.pset.PoseSet property) (hippo.pset.PoseTable property) (hippo.quote.Quote property) (hippo.reaction.Reaction property) (hippo.recipe.Recipe property) (hippo.recipe.RouteSet property) (hippo.rset.ReactionSet property) (hippo.scoring.Scorer property) (hippo.tags.TagSet property) (hippo.tags.TagTable property) (hippo.target.Target property) (hippo.web.ProjectPage property) db_path (hippo.animal.HIPPO property) default() (hippo.scoring.Scorer class method) delete() (hippo.tags.TagTable method) delete_features() (hippo.db.Database method) delete_interactions() (hippo.db.Database method)

delete_reactions() (hippo.db.Database method) delete_subsites() (hippo.db.Database method) delete_tag() (hippo.db.Database method) delete_where() (hippo.db.Database method) derivatives (hippo.pose.Pose property) (hippo.pset.PoseSet property) description (hippo.interaction.Interaction property) df (hippo.cset.IngredientSet property) (hippo.iset.InteractionSet property) (hippo.iset.InteractionTable property) (hippo.pset.PoseSet property) dict (hippo.compound.Compound property) (hippo.pose.Pose property) (hippo.quote.Quote property) discard() (hippo.tags.TagSet method) distance (hippo.interaction.Interaction property) distance_score (hippo.pose.Pose property) doc (hippo.web.ProjectPage property) draw() (hippo.compound.Compound method) (hippo.cset.CompoundSet method) (hippo.cset.CompoundTable method) (hippo.cset.IngredientSet method) (hippo.pose.Pose method) (hippo.pset.PoseSet method) (hippo.pset.PoseTable method) (hippo.reaction.Reaction method) (hippo.recipe.Recipe method) draw2d() (hippo.pose.Pose method) draw_elabs() (hippo.compound.Compound method) dump_data() (hippo.rgen.RandomRecipeGenerator method), [1] (hippo.rgen.RandomSelectionGenerator method), [1]

E

elab_df (hippo.cset.CompoundSet property) elaboration_balance (hippo.cset.CompoundSet property) elabs (hippo.animal.HIPPO property) (hippo.compound.Compound property) (hippo.cset.CompoundSet property) (hippo.cset.CompoundTable property) empty (hippo.recipe.Recipe property)

energy (hippo.interaction.Interaction property) energy_score (hippo.pose.Pose property) entry (hippo.quote.Quote property) entry_str (hippo.quote.Quote property) execute() (hippo.db.Database method) executemany() (hippo.db.Database method) extra_recipe_dir (hippo.web.ProjectPage property)

F

family (hippo.feature.Feature attribute) (hippo.interaction.Interaction property) family_str (hippo.interaction.Interaction property) Feature (class in hippo.feature) feature (hippo.interaction.Interaction property) feature_id (hippo.interaction.Interaction property) feature_ids (hippo.target.Target property) features (hippo.pose.Pose property) (hippo.target.Target property) filter() (hippo.pset.PoseSet method) find_observation_longcode_matches() (in module hippo.fragalysis) fix_incorrect_pose_compound_assignments() (hippo.db.Database method) formula (hippo.compound.Compound property) (hippo.cset.CompoundSet property) fraction_fingerprinted (hippo.pset.PoseSet property) from_compounds() (hippo.cset.IngredientSet class method) (hippo.recipe.Recipe class method)

from_dict() (hippo.price.Price class method) from_ids() (hippo.recipe.RouteSet class method) from_ingredient_df() (hippo.cset.IngredientSet class method) from_ingredient_dicts() (hippo.cset.IngredientSet class method) from_json() (hippo.cset.IngredientSet class method) (hippo.recipe.Recipe class method) (hippo.recipe.Route class method) (hippo.recipe.RouteSet class method) (hippo.rgen.RandomRecipeGenerator class method), [1] (hippo.rgen.RandomSelectionGenerator class method), [1] from_pose() (hippo.iset.InteractionSet class method) from_product_ids() (hippo.recipe.RouteSet class method) from_reactants() (hippo.recipe.Recipe class method) from_reaction() (hippo.recipe.Recipe class method) from_reactions() (hippo.recipe.Recipe class method) from_residue() (hippo.iset.InteractionSet class method) funnel() (hippo.web.ProjectPage method)

G

generate() (hippo.rgen.RandomRecipeGenerator method), [1] (hippo.rgen.RandomSelectionGenerator method), [1] generate_header() (in module hippo.fragalysis) get_all_possible_reactants() (hippo.cset.CompoundSet method) get_all_possible_reactions() (hippo.cset.CompoundSet method) get_best_placed_poses_per_compound() (hippo.pset.PoseSet method) get_by_compound() (hippo.pset.PoseSet method) get_by_inspiration() (hippo.pset.PoseSet method) get_by_metadata() (hippo.cset.CompoundSet method) (hippo.cset.CompoundTable method) (hippo.pset.PoseSet method) (hippo.pset.PoseTable method) get_by_metadata_substring_match() (hippo.cset.CompoundSet method) (hippo.cset.CompoundTable method) (hippo.pset.PoseTable method) get_by_reference() (hippo.pset.PoseSet method) get_by_scaffold() (hippo.cset.CompoundSet method) (hippo.cset.CompoundTable method) get_by_shorthand() (hippo.animal.HIPPO method) get_by_smiles() (hippo.cset.CompoundTable method) (hippo.pset.PoseTable method) get_by_subsite() (hippo.pset.PoseSet method) (hippo.pset.PoseTable method) get_by_tag() (hippo.cset.CompoundSet method) (hippo.cset.CompoundTable method) (hippo.pset.PoseSet method) (hippo.pset.PoseTable method) get_by_target() (hippo.pset.PoseSet method) (hippo.pset.PoseTable method) get_cheapest_quote_id() (hippo.compound.Ingredient method) get_classic_fingerprint() (hippo.iset.InteractionSet method) get_compound() (hippo.db.Database method) (hippo.pose.Pose method) get_compound_cluster_dict() (hippo.db.Database method) get_compound_computed_property() (hippo.db.Database method) get_compound_id() (hippo.db.Database method) get_compound_id_inchikey_dict() (hippo.db.Database method) get_compound_id_inspiration_ids_dict() (hippo.db.Database method) get_compound_id_obj_dict() (hippo.db.Database method) get_compound_id_pose_ids_dict() (hippo.db.Database method) get_compound_id_smiles_dict() (hippo.db.Database method) get_compound_id_suppliers_dict() (hippo.db.Database method) get_compound_inchikey_id_dict() (hippo.db.Database method) get_compound_pool() (hippo.rgen.RandomSelectionGenerator method), [1] get_compound_scaffold_dict() (hippo.db.Database method) get_compound_tag_dict() (hippo.db.Database method) get_derivative_ids() (hippo.pose.Pose method) get_derivatives() (hippo.pose.Pose method) get_df() (hippo.cset.CompoundSet method) (hippo.pset.PoseSet method) (hippo.rset.ReactionSet method) get_dict() (hippo.compound.Compound method) (hippo.cset.CompoundSet method) (hippo.cset.IngredientSet method) (hippo.pose.Pose method) (hippo.price.Price method) (hippo.reaction.Reaction method) (hippo.recipe.Recipe method) (hippo.recipe.Route method) (hippo.recipe.RouteSet method) (hippo.rset.ReactionSet method) get_feature() (hippo.db.Database method) get_id_metadata_dict() (hippo.db.Database method) get_ingredient() (hippo.recipe.Recipe method) get_inspiration_ids() (hippo.pose.Pose method) get_inspiration_tuples() (hippo.db.Database method) get_inspirations() (hippo.compound.Compound method) (hippo.pose.Pose method)

get_interaction() (hippo.db.Database method) get_interaction_clusters() (hippo.pset.PoseSet method) get_interaction_overlaps() (hippo.pset.PoseSet method) get_metadata() (hippo.db.Database method) get_pose() (hippo.db.Database method) get_pose_alias_id_dict() (hippo.db.Database method) get_pose_alias_path_dict() (hippo.db.Database method) get_pose_id() (hippo.db.Database method) get_pose_id_alias_dict() (hippo.db.Database method) get_pose_id_inspiration_ids_dict() (hippo.db.Database method) get_pose_id_interaction_ids_dict() (hippo.db.Database method) get_pose_id_interaction_tuples_dict() (hippo.db.Database method) get_pose_id_obj_dict() (hippo.db.Database method) get_pose_path_id_dict() (hippo.db.Database method) get_pose_subsite_names_dict() (hippo.db.Database method) get_pose_tag_dict() (hippo.db.Database method) get_poses() (hippo.compound.Compound method) get_possible_reaction_ids() (hippo.db.Database method) get_possible_reaction_product_ids() (hippo.db.Database method) get_price() (hippo.cset.IngredientSet method) (hippo.recipe.Recipe method) get_product_id_routes_dict() (hippo.db.Database method) get_quote() (hippo.db.Database method) get_quote_df() (hippo.db.Database method) get_quoted() (hippo.cset.CompoundSet method) get_quotes() (hippo.compound.Compound method) (hippo.compound.Ingredient method) get_reactant_amount_pairs() (hippo.reaction.Reaction method) get_reactant_ids() (hippo.reaction.Reaction method) get_reactant_product_tuples() (hippo.db.Database method) get_reaction() (hippo.db.Database method) get_reaction_map_from_products() (hippo.db.Database method) get_reaction_price_estimate() (hippo.db.Database method) get_reactions() (hippo.compound.Compound method) get_recipes() (hippo.compound.Compound method) (hippo.cset.CompoundSet method) (hippo.reaction.Reaction method) (hippo.rset.ReactionSet method) get_risk_diversity() (hippo.cset.CompoundSet method) get_route() (hippo.db.Database method) get_route_id_product_dict() (hippo.db.Database method) get_route_pool() (hippo.rgen.RandomRecipeGenerator method), [1] get_route_products() (hippo.db.Database method) get_routes() (hippo.cset.CompoundSet method) (hippo.recipe.Recipe method) get_scaffold_ids() (hippo.compound.Compound method) get_scaffold_network() (hippo.animal.HIPPO method) get_scaffold_similarity_dict() (hippo.db.Database method) get_scaffold_tuples() (hippo.db.Database method) get_sorted_df() (hippo.scoring.Scorer method) get_starting_recipe() (hippo.rgen.RandomSelectionGenerator method), [1] get_subsite() (hippo.db.Database method) get_subsite_id() (hippo.db.Database method) get_subsite_name() (hippo.db.Database method) get_subsite_tag() (hippo.db.Database method) get_superstructure_ids() (hippo.compound.Compound method) get_tags() (hippo.compound.Compound method) (hippo.pose.Pose method) get_target() (hippo.db.Database method) get_target_id() (hippo.db.Database method) get_target_name() (hippo.db.Database method) get_unquoted() (hippo.cset.CompoundSet method) get_unsolved_reaction_tree() (hippo.db.Database method) get_value() (hippo.scoring.Attribute method) (hippo.scoring.CustomAttribute method) glob() (hippo.tags.TagSet method) grid() (hippo.cset.CompoundSet method) (hippo.pose.Pose method) (hippo.pset.PoseSet method)

H

has_complex_pdb_path (hippo.pose.Pose property) has_fingerprint (hippo.pose.Pose property) hash (hippo.recipe.Recipe property) header() (hippo.web.ProjectPage method) HIPPO (class in hippo.animal)

hippo.fragalysis module hippo.plotting module hippo_graph() (in module hippo.plotting) histogram() (hippo.scoring.Attribute method)

I

id (hippo.compound.Compound property) (hippo.compound.Ingredient property) (hippo.feature.Feature attribute) (hippo.interaction.Interaction property) (hippo.metadata.MetaData property) (hippo.pose.Pose property) (hippo.quote.Quote property) (hippo.reaction.Reaction property) (hippo.recipe.Route property) (hippo.target.Target property) id_amount_pairs (hippo.cset.IngredientSet property) id_name_dict (hippo.pset.PoseSet property) (hippo.pset.PoseTable property) id_num_poses_dict (hippo.cset.CompoundSet property) ids (hippo.cset.CompoundSet property) (hippo.cset.CompoundTable property) (hippo.cset.IngredientSet property) (hippo.iset.InteractionSet property) (hippo.pset.PoseSet property) (hippo.pset.PoseTable property) (hippo.recipe.RouteSet property) (hippo.rset.ReactionSet property) immutable (hippo.tags.TagSet property) inchikey (hippo.compound.Compound property) (hippo.pose.Pose property) inchikeys (hippo.cset.CompoundSet property) (hippo.cset.CompoundTable property) (hippo.cset.IngredientSet property) (hippo.pset.PoseSet property) (hippo.pset.PoseTable property) index_path (hippo.web.ProjectPage property) indices (hippo.cset.CompoundSet property) (hippo.iset.InteractionSet property) (hippo.pset.PoseSet property) (hippo.rset.ReactionSet property) Ingredient (class in hippo.compound) IngredientSet (class in hippo.cset) insert_component() (hippo.db.Database method) insert_compound() (hippo.db.Database method) insert_compound_pattern_bfp() (hippo.db.Database method)

insert_feature() (hippo.db.Database method) insert_inspiration() (hippo.db.Database method) insert_interaction() (hippo.db.Database method) insert_metadata() (hippo.db.Database method) insert_pose() (hippo.db.Database method) insert_quote() (hippo.db.Database method) insert_reactant() (hippo.db.Database method) insert_reaction() (hippo.db.Database method) insert_route() (hippo.db.Database method) insert_scaffold() (hippo.db.Database method) insert_subsite() (hippo.db.Database method) insert_subsite_tag() (hippo.db.Database method) insert_tag() (hippo.db.Database method) insert_target() (hippo.db.Database method) inspiration_score (hippo.pose.Pose property) inspiration_sets (hippo.pset.PoseSet property) inspirations (hippo.pose.Pose property) (hippo.pset.PoseSet property) Interaction (class in hippo.interaction) interactions (hippo.animal.HIPPO property) (hippo.pose.Pose property) (hippo.pset.PoseSet property) (hippo.pset.PoseTable property) (hippo.recipe.Recipe property) InteractionSet (class in hippo.iset) InteractionTable (class in hippo.iset) interactive() (hippo.cset.CompoundSet method) (hippo.cset.CompoundTable method) (hippo.cset.IngredientSet method) (hippo.pset.PoseSet method) (hippo.pset.PoseTable method) (hippo.rset.ReactionSet method) intermediates (hippo.animal.HIPPO property) (hippo.cset.CompoundTable property) (hippo.recipe.Recipe property) (hippo.rset.ReactionSet property) inverse (hippo.scoring.Attribute property) is_elab (hippo.compound.Compound property) is_null (hippo.price.Price property) is_product (hippo.compound.Compound property) is_scaffold (hippo.compound.Compound property)

J

json_path (hippo.scoring.Scorer property)

K

key (hippo.scoring.Attribute property)

L

lead_time (hippo.compound.Ingredient property) (hippo.quote.Quote property)

lig_coord (hippo.interaction.Interaction property) line (hippo.web.ProjectPage property) load_sdf() (hippo.animal.HIPPO method)

M

make_directories() (hippo.web.ProjectPage method) max (hippo.scoring.Attribute property) max_id() (hippo.db.Database method) max_lead_time (hippo.compound.Ingredient property) mean (hippo.scoring.Attribute property) MetaData (class in hippo.metadata) metadata (hippo.compound.Compound property) (hippo.pose.Pose property) (hippo.reaction.Reaction property) migrate_legacy_scaffolds() (hippo.db.Database method) min (hippo.scoring.Attribute property) min_id() (hippo.db.Database method)

modal() (hippo.web.ProjectPage method) modal_button() (hippo.web.ProjectPage method) module hippo.fragalysis hippo.plotting mol (hippo.compound.Compound property) (hippo.pose.Pose property) mol_image_dir (hippo.web.ProjectPage property) mol_path (hippo.pose.Pose property) molecular_weight (hippo.compound.Compound property) mols (hippo.cset.CompoundSet property) (hippo.pset.PoseSet property) murcko_scaffold() (hippo.compound.Compound method)

N

name (hippo.animal.HIPPO property) (hippo.compound.Compound property) (hippo.cset.CompoundSet property) (hippo.cset.CompoundTable property) (hippo.pose.Pose property) (hippo.pset.PoseSet property) (hippo.pset.PoseTable property) (hippo.rset.ReactionSet property) (hippo.target.Target property) names (hippo.cset.CompoundSet property) (hippo.cset.CompoundTable property) (hippo.pset.PoseSet property) (hippo.pset.PoseTable property) null() (hippo.price.Price class method) num_atoms_added (hippo.compound.Compound property) (hippo.cset.CompoundSet property) (hippo.pose.Pose property) num_atoms_added_wrt_inspirations (hippo.pose.Pose property) num_atoms_added_wrt_scaffolds (hippo.pose.Pose property) num_attributes (hippo.scoring.Scorer property) num_compounds (hippo.animal.HIPPO property) (hippo.pset.PoseSet property) (hippo.recipe.Recipe property) num_elabs (hippo.animal.HIPPO property) (hippo.cset.CompoundSet property) (hippo.cset.CompoundTable property) num_features (hippo.iset.InteractionSet property) num_fingerprinted (hippo.pset.PoseSet property) (hippo.pset.PoseTable property) num_heavy_atoms (hippo.compound.Compound property) (hippo.cset.CompoundSet property) (hippo.pose.Pose property)

num_inspiration_sets (hippo.pset.PoseSet property) num_inspirations (hippo.pset.PoseSet property) num_intermediates (hippo.animal.HIPPO property) (hippo.cset.CompoundTable property) (hippo.recipe.Recipe property) num_poses (hippo.animal.HIPPO property) (hippo.compound.Compound property) (hippo.cset.CompoundSet property) num_products (hippo.animal.HIPPO property) (hippo.cset.CompoundTable property) (hippo.recipe.Recipe property) num_reactant (hippo.compound.Compound property) num_reactants (hippo.animal.HIPPO property) (hippo.cset.CompoundTable property) (hippo.recipe.Recipe property) num_reaction_types (hippo.recipe.Recipe property) num_reactions (hippo.animal.HIPPO property) (hippo.compound.Compound property) (hippo.recipe.Recipe property) num_recipes (hippo.scoring.Scorer property) num_rings (hippo.compound.Compound property) (hippo.cset.CompoundSet property) num_scaffolds (hippo.animal.HIPPO property) (hippo.compound.Compound property) (hippo.cset.CompoundSet property) (hippo.cset.CompoundTable property) (hippo.pose.Pose property) num_scaffolds_elaborated (hippo.cset.CompoundSet property) num_subsites (hippo.pset.PoseSet property) num_tags (hippo.animal.HIPPO property) num_types (hippo.rset.ReactionSet property)

O

output_dir (hippo.web.ProjectPage property)

P

parent (hippo.tags.TagSet property) parse_observation_longcode() (in module hippo.fragalysis) path (hippo.db.Database property) (hippo.pose.Pose property) per_feature_count_hirsch (hippo.iset.InteractionSet property) percentile_interpolator (hippo.scoring.Attribute property) place() (hippo.compound.Compound method) plain_repr (hippo.reaction.Reaction property) plain_repr() (hippo.pose.Pose method) plot() (hippo.scoring.Scorer method) plot3d() (hippo.pose.Pose method) plot_building_blocks() (in module hippo.plotting) plot_compound_availability() (hippo.animal.HIPPO method) (in module hippo.plotting) plot_compound_availability_venn() (hippo.animal.HIPPO method) (in module hippo.plotting) plot_compound_price() (hippo.animal.HIPPO method) (in module hippo.plotting) plot_compound_property() (hippo.animal.HIPPO method) (in module hippo.plotting) plot_compound_tsnee() (in module hippo.plotting) plot_interaction_histogram() (in module hippo.plotting) plot_interaction_punchcard() (hippo.animal.HIPPO method) (in module hippo.plotting) plot_interaction_punchcard_by_tags() (hippo.animal.HIPPO method) (in module hippo.plotting) plot_numbers() (in module hippo.plotting) plot_pose_interactions() (hippo.animal.HIPPO method) (in module hippo.plotting) plot_pose_property() (hippo.animal.HIPPO method) (in module hippo.plotting) plot_reactant_amounts() (in module hippo.plotting) plot_reactant_price() (in module hippo.plotting) plot_reactants_2d() (in module hippo.plotting) plot_reaction_funnel() (hippo.animal.HIPPO method) (in module hippo.plotting) plot_residue_interactions() (hippo.animal.HIPPO method) (in module hippo.plotting) plot_synthetic_routes() (in module hippo.plotting) plot_tag_statistics() (hippo.animal.HIPPO method) (in module hippo.plotting) plot_tsnee() (hippo.cset.CompoundSet method) (hippo.cset.CompoundTable method) plotly_graph() (hippo.web.ProjectPage method) pop() (hippo.cset.CompoundSet method) (hippo.cset.IngredientSet method) (hippo.recipe.RouteSet method) (hippo.tags.TagSet method)

pop_id() (hippo.cset.CompoundSet method) (hippo.recipe.RouteSet method) Pose (class in hippo.pose) pose (hippo.interaction.Interaction property) pose_id (hippo.interaction.Interaction property) pose_id_metadata_dict (hippo.pset.PoseSet property) pose_sdf_dir (hippo.web.ProjectPage property) posebusters() (hippo.pose.Pose method) poses (hippo.animal.HIPPO property) (hippo.compound.Compound property) (hippo.cset.CompoundSet property) (hippo.recipe.Recipe property) (hippo.scoring.Scorer property) PoseSet (class in hippo.pset) PoseTable (class in hippo.pset) Price (class in hippo.price) price (hippo.compound.Ingredient property) (hippo.cset.IngredientSet property) (hippo.quote.Quote property) (hippo.recipe.Recipe property) (hippo.recipe.Route property) price_df (hippo.cset.IngredientSet property) price_estimate (hippo.reaction.Reaction property) print_table() (hippo.db.Database method) product (hippo.reaction.Reaction property) (hippo.recipe.Recipe property) (hippo.recipe.Route property) product_compound (hippo.recipe.Route property) product_compounds (hippo.recipe.Recipe property) product_id (hippo.reaction.Reaction property) product_ids (hippo.recipe.RouteSet property) product_mol (hippo.reaction.Reaction property) product_smiles (hippo.reaction.Reaction property) product_yield (hippo.reaction.Reaction property) products (hippo.animal.HIPPO property) (hippo.cset.CompoundTable property) (hippo.recipe.Recipe property) (hippo.recipe.RouteSet property) (hippo.rset.ReactionSet property) ProjectPage (class in hippo.web) proposal (hippo.web.ProjectPage property) proposals (hippo.web.ProjectPage property) prot_coord (hippo.interaction.Interaction property) protein_system (hippo.pose.Pose property) protonated_mol (hippo.pose.Pose property) prune_duplicate_routes() (hippo.db.Database method) prune_reactions() (hippo.db.Database method) prune_unavailable() (hippo.recipe.RouteSet method) purity (hippo.quote.Quote property)

Q

query_exact() (hippo.db.Database method) query_most_similar() (hippo.db.Database method) query_similarity() (hippo.db.Database method) query_substructure() (hippo.db.Database method) Quote (class in hippo.quote) quote (hippo.compound.Ingredient property)

quote_compounds() (hippo.animal.HIPPO method) quote_id (hippo.compound.Ingredient property) quote_ids (hippo.cset.IngredientSet property) quote_intermediates() (hippo.animal.HIPPO method) quote_reactants() (hippo.animal.HIPPO method) quoted_only (hippo.rgen.RandomSelectionGenerator property), [1]

R

RandomRecipeGenerator (class in hippo.rgen), [1] RandomSelectionGenerator (class in hippo.rgen), [1] reactant_ids (hippo.reaction.Reaction property) reactant_mols (hippo.reaction.Reaction property) reactant_smiles (hippo.reaction.Reaction property) reactant_str_ids (hippo.reaction.Reaction property) reactants (hippo.animal.HIPPO property) (hippo.cset.CompoundTable property) (hippo.reaction.Reaction property) (hippo.recipe.Recipe property) (hippo.rset.ReactionSet property) Reaction (class in hippo.reaction) reaction (hippo.compound.Compound property) reaction_ids (hippo.cset.CompoundSet property) reaction_str (hippo.reaction.Reaction property) reactions (hippo.animal.HIPPO property) (hippo.compound.Compound property) (hippo.recipe.Recipe property) ReactionSet (class in hippo.rset) Recipe (class in hippo.recipe) recipe_subsection() (hippo.web.ProjectPage method) recipes (hippo.scoring.Scorer property) reference (hippo.pose.Pose property) (hippo.pset.PoseSet property) reference_id (hippo.pose.Pose property) reference_ids (hippo.pset.PoseSet property) references (hippo.pset.PoseSet property) register_compound() (hippo.animal.HIPPO method) register_compounds() (hippo.animal.HIPPO method) (hippo.db.Database method)

register_pose() (hippo.animal.HIPPO method) register_poses() (hippo.db.Database method) register_reaction() (hippo.animal.HIPPO method) register_reactions() (hippo.animal.HIPPO method) register_route() (hippo.animal.HIPPO method) register_target() (hippo.animal.HIPPO method) reinitialise_molecules() (hippo.db.Database method) remove() (hippo.tags.TagSet method) remove_metadata_list_item() (hippo.db.Database method) rename() (hippo.tags.TagTable method) render() (hippo.pose.Pose method) res_name_number_family_str (hippo.feature.Feature property) res_name_number_str (hippo.feature.Feature property) res_number_name_tuple (hippo.feature.Feature property) residue_name (hippo.feature.Feature attribute) (hippo.interaction.Interaction property) residue_number (hippo.feature.Feature attribute) (hippo.interaction.Interaction property) residue_number_chain_pairs (hippo.iset.InteractionSet property) resolve() (hippo.iset.InteractionSet method) resource_dir (hippo.web.ProjectPage property) reverse() (hippo.rset.ReactionSet method) rgen (hippo.web.ProjectPage property) risk_diversity (hippo.cset.CompoundSet property) Route (class in hippo.recipe) route_pool (hippo.rgen.RandomRecipeGenerator property), [1] routes (hippo.recipe.RouteSet property) RouteSet (class in hippo.recipe)

S

sankey() (hippo.recipe.Recipe method) save_compound_image() (hippo.web.ProjectPage method) save_pose_sdf() (hippo.web.ProjectPage method) save_pset_sdf() (hippo.web.ProjectPage method) scaffold_ids (hippo.cset.CompoundSet property) (hippo.pose.Pose property) scaffold_poses (hippo.web.ProjectPage property) scaffolds (hippo.animal.HIPPO property) (hippo.compound.Compound property) (hippo.cset.CompoundSet property) (hippo.cset.CompoundTable property) (hippo.web.ProjectPage property) score (hippo.recipe.Recipe property) score() (hippo.scoring.Scorer method) score_dict (hippo.scoring.Scorer property) score_inspiration() (hippo.pose.Pose method) Scorer (class in hippo.scoring) scorer (hippo.scoring.Attribute property) (hippo.web.ProjectPage property) scorer_attribute() (hippo.web.ProjectPage method) scores (hippo.scoring.Scorer property) sec_elaborations() (hippo.web.ProjectPage method) sec_hits() (hippo.web.ProjectPage method) sec_product_pool() (hippo.web.ProjectPage method) sec_proposals() (hippo.web.ProjectPage method) sec_quoting() (hippo.web.ProjectPage method) sec_rgen() (hippo.web.ProjectPage method) sec_route_pool() (hippo.web.ProjectPage method) sec_scaffolds() (hippo.web.ProjectPage method) sec_scorer() (hippo.web.ProjectPage method) sec_targets() (hippo.web.ProjectPage method) section() (hippo.web.ProjectPage method) section_header() (hippo.web.ProjectPage method) select() (hippo.db.Database method) select_all_where() (hippo.db.Database method) select_id_where() (hippo.db.Database method) select_where() (hippo.db.Database method) set_alias() (hippo.compound.Compound method) set_amounts() (hippo.cset.IngredientSet method) set_db_pointers() (hippo.recipe.RouteSet method) set_derivative_subsites() (hippo.db.Database method) set_has_fingerprint() (hippo.pose.Pose method) set_subsites_from_metadata_field() (hippo.pset.PoseSet method) setup_page() (hippo.web.ProjectPage method) showcase() (hippo.pose.Pose method) shuffle() (hippo.cset.CompoundSet method) (hippo.cset.IngredientSet method) (hippo.recipe.RouteSet method)

shuffled() (hippo.cset.CompoundSet method) sidebar() (hippo.web.ProjectPage method) sidechain (hippo.feature.Feature property) skip_existing (hippo.web.ProjectPage property) slice_ids() (hippo.db.Database method) smiles (hippo.compound.Compound property) (hippo.compound.Ingredient property) (hippo.cset.CompoundSet property) (hippo.cset.IngredientSet property) (hippo.pose.Pose property) (hippo.pset.PoseSet property) (hippo.quote.Quote property) split_by_inspirations() (hippo.pset.PoseSet method) split_by_reference() (hippo.pset.PoseSet method) starting_recipe (hippo.web.ProjectPage property) std (hippo.scoring.Attribute property) str_compound_ids (hippo.cset.IngredientSet property) str_ids (hippo.cset.CompoundSet property) (hippo.cset.CompoundTable property) (hippo.iset.InteractionSet property) (hippo.pset.PoseSet property) (hippo.recipe.RouteSet property) (hippo.rset.ReactionSet property) style() (hippo.web.ProjectPage method) subsite_balance (hippo.pset.PoseSet property) subsite_ids (hippo.pset.PoseSet property) subsite_summary() (hippo.pset.PoseSet method) subsites (hippo.pose.Pose property) (hippo.target.Target property) summary() (hippo.animal.HIPPO method) (hippo.compound.Compound method) (hippo.cset.CompoundSet method) (hippo.cset.CompoundTable method) (hippo.interaction.Interaction method) (hippo.iset.InteractionSet method) (hippo.pose.Pose method) (hippo.pset.PoseSet method) (hippo.pset.PoseTable method) (hippo.reaction.Reaction method) (hippo.recipe.Recipe method) (hippo.rset.ReactionSet method) (hippo.scoring.Scorer method) (hippo.tags.TagTable method) supplier (hippo.compound.Ingredient property) (hippo.cset.IngredientSet property) (hippo.quote.Quote property) suppliers (hippo.web.ProjectPage property) symbol (hippo.price.Price property)

T

table (hippo.compound.Compound property) (hippo.cset.CompoundSet property) (hippo.cset.CompoundTable property) (hippo.interaction.Interaction property) (hippo.iset.InteractionSet property) (hippo.iset.InteractionTable property) (hippo.metadata.MetaData property) (hippo.pose.Pose property) (hippo.pset.PoseSet property) (hippo.pset.PoseTable property) (hippo.rset.ReactionSet property) (hippo.tags.TagTable property) table() (hippo.web.ProjectPage method) table_info() (hippo.db.Database method) table_names (hippo.db.Database property) tag (hippo.web.ProjectPage property) tag_summary() (hippo.cset.CompoundSet method) tags (hippo.animal.HIPPO property) (hippo.compound.Compound property) (hippo.cset.CompoundSet property) (hippo.cset.CompoundTable property) (hippo.pose.Pose property) (hippo.pset.PoseSet property) (hippo.pset.PoseTable property) (hippo.tags.TagSet property)

TagSet (class in hippo.tags) TagTable (class in hippo.tags) Target (class in hippo.target) target (hippo.pose.Pose property) target_ids (hippo.pset.PoseSet property) target_names (hippo.pset.PoseSet property) targets (hippo.animal.HIPPO property) (hippo.pset.PoseSet property) text (hippo.web.ProjectPage property) title (hippo.web.ProjectPage property) to_fragalysis() (hippo.pset.PoseSet method) to_knitwork() (hippo.pset.PoseSet method) to_pymol() (hippo.pset.PoseSet method) to_syndirella() (hippo.pose.Pose method) (hippo.pset.PoseSet method) (hippo.recipe.Recipe method) top() (hippo.scoring.Scorer method) top_keys() (hippo.scoring.Scorer method) total_changes (hippo.db.Database property) type (hippo.interaction.Interaction property) (hippo.quote.Quote property) (hippo.reaction.Reaction property) (hippo.recipe.Recipe property) type_residue_number_chain_triples (hippo.iset.InteractionSet property) types (hippo.iset.InteractionSet property) (hippo.rset.ReactionSet property)

U

unique (hippo.tags.TagTable property) UnsupportedFragalysisLongcodeError unweighted() (hippo.scoring.Attribute method) update() (hippo.db.Database method) (hippo.metadata.MetaData method)

update_all() (hippo.db.Database method) update_compound_pattern_bfp_table() (hippo.db.Database method) update_legacy_pose_inspiration_score() (hippo.db.Database method) update_legacy_reaction_metadata() (hippo.db.Database method) update_legacy_routes() (hippo.db.Database method)

V

value_dict (hippo.scoring.Attribute property)

values (hippo.scoring.Attribute property) var() (hippo.web.ProjectPage method)

W

weight (hippo.scoring.Attribute property) weights (hippo.scoring.Scorer property) write_CAR_csv() (hippo.cset.CompoundSet method) (hippo.recipe.Recipe method) write_chemistry_csv() (hippo.recipe.Recipe method) write_html() (hippo.web.ProjectPage method)

write_json() (hippo.recipe.Recipe method) write_postera_csv() (hippo.cset.CompoundSet method) write_product_csv() (hippo.recipe.Recipe method) write_reactant_csv() (hippo.recipe.Recipe method) write_sdf() (hippo.pset.PoseSet method) write_smiles_csv() (hippo.cset.CompoundSet method) (hippo.cset.CompoundTable method)