Index

_

__add__() (hippo.cset.CompoundSet method) (hippo.cset.IngredientSet method) (hippo.pose.Pose method) (hippo.price.Price method) (hippo.pset.PoseSet method) (hippo.tags.TagSet method) __call__() (hippo.cset.CompoundTable method) (hippo.cset.IngredientSet method) (hippo.pset.PoseSet method) (hippo.pset.PoseTable method) (hippo.pycule.Quoter 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.tags.TagSet method) __gt__() (hippo.price.Price method) __hash__() (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.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.tags.TagSet method) __lt__() (hippo.price.Price method) __mul__() (hippo.price.Price 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.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) (hippo.rset.ReactionSet 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)

A

accordion() (hippo.web.ProjectPage method) add() (hippo.cset.CompoundSet method) (hippo.cset.IngredientSet method) (hippo.rset.ReactionSet method) (hippo.tags.TagSet method) add_base() (hippo.compound.Compound 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_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) amount (hippo.compound.Ingredient property) (hippo.price.Price property) (hippo.quote.Quote property) angle (hippo.interaction.Interaction property) animal (hippo.web.ProjectPage 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) 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) base_ids (hippo.pose.Pose property) bases (hippo.animal.HIPPO property) (hippo.compound.Compound property) (hippo.cset.CompoundSet property) (hippo.cset.CompoundTable 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)

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_compounds (hippo.recipe.Recipe property) commit() (hippo.db.Database method) Compound (class in hippo.compound) compound (hippo.compound.Ingredient property) (hippo.pose.Pose property) (hippo.quote.Quote property) compound_id (hippo.compound.Ingredient property) (hippo.pose.Pose property) compound_ids (hippo.cset.IngredientSet property) 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)

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.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.tags.TagSet property) (hippo.tags.TagTable property) (hippo.target.Target property) (hippo.web.ProjectPage property) db_path (hippo.animal.HIPPO property) 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) 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) download_target() (in module hippo.fragalysis) 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)

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)

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) 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_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) from_pose() (hippo.iset.InteractionSet 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)

G

generate() (hippo.rgen.RandomRecipeGenerator method) generate_header() (in module hippo.fragalysis) get_all_possible_reactants() (hippo.cset.CompoundSet method) get_all_possible_reactions() (hippo.cset.CompoundSet method) get_base_ids() (hippo.compound.Compound method) get_batch_quote() (hippo.pycule.Quoter method) get_best_placed_poses_per_compound() (hippo.pset.PoseSet method) get_by_base() (hippo.cset.CompoundSet method) (hippo.cset.CompoundTable 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_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_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_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.rset.ReactionSet method) get_enamine_batch_quote() (hippo.pycule.Quoter method) get_enamine_quote() (hippo.pycule.Quoter 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_mcule_batch_quote() (hippo.pycule.Quoter method) get_mcule_quote() (hippo.pycule.Quoter 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) (hippo.pycule.Quoter 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) get_route_products() (hippo.db.Database method) get_routes() (hippo.cset.CompoundSet method) (hippo.recipe.Recipe method) get_scaffold_network() (hippo.animal.HIPPO method) get_scaffold_similarity_dict() (hippo.db.Database method) get_scaffold_tuples() (hippo.db.Database method) 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) 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)

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) interaction_overlap_score (hippo.pset.PoseSet property) 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) is_base (hippo.compound.Compound property) is_elab (hippo.compound.Compound property) is_null (hippo.price.Price property) is_product (hippo.compound.Compound 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_id() (hippo.db.Database method) max_lead_time (hippo.compound.Ingredient property) MetaData (class in hippo.metadata) metadata (hippo.compound.Compound property) (hippo.pose.Pose property) (hippo.reaction.Reaction property) migrate_legacy_bases() (hippo.db.Database method) min_id() (hippo.db.Database method)

module hippo.fragalysis hippo.plotting mol (hippo.compound.Compound property) (hippo.pose.Pose property) mol_image_dir (hippo.web.ProjectPage 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.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_bases (hippo.pose.Pose property) num_atoms_added_wrt_inspirations (hippo.pose.Pose property) num_bases (hippo.animal.HIPPO property) (hippo.compound.Compound property) (hippo.cset.CompoundTable property) (hippo.pose.Pose property) num_bases_elaborated (hippo.cset.CompoundSet property) num_compounds (hippo.animal.HIPPO property) (hippo.pset.PoseSet property) (hippo.recipe.Recipe property) num_elabs (hippo.animal.HIPPO 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_reactions (hippo.animal.HIPPO property) (hippo.compound.Compound property) (hippo.recipe.Recipe property) num_rings (hippo.compound.Compound property) (hippo.cset.CompoundSet property) num_subsites (hippo.pset.PoseSet property) num_tags (hippo.animal.HIPPO property)

O

output_dir (hippo.web.ProjectPage property)

P

parent (hippo.tags.TagSet property) parse_enamine_bulk_products() (hippo.pycule.Quoter method) parse_enamine_delivery_string() (hippo.pycule.Quoter method) parse_enamine_pack() (hippo.pycule.Quoter method) parse_enamine_response() (hippo.pycule.Quoter method) parse_mcule_pack() (hippo.pycule.Quoter method) parse_observation_longcode() (in module hippo.fragalysis) path (hippo.db.Database property) (hippo.pose.Pose property) per_feature_count_hirsch (hippo.iset.InteractionSet property) pick_enamine_data() (hippo.pycule.Quoter method) pick_enamine_exact_data() (hippo.pycule.Quoter method) place() (hippo.compound.Compound method) plain_repr (hippo.reaction.Reaction property) plain_repr() (hippo.pose.Pose 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_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)

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_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) 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) 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) purity (hippo.quote.Quote property)

Q

query_exact() (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_intermediates() (hippo.animal.HIPPO method) quote_reactants() (hippo.animal.HIPPO method) Quoter (class in hippo.pycule)

R

RandomRecipeGenerator (class in hippo.rgen) 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) 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_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) risk_diversity (hippo.cset.CompoundSet property) Route (class in hippo.recipe) route_pool (hippo.rgen.RandomRecipeGenerator property) routes (hippo.recipe.RouteSet property) RouteSet (class in hippo.recipe)

S

sankey() (hippo.recipe.Recipe method) score (hippo.recipe.Recipe property) score_inspiration() (hippo.pose.Pose method) 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) sidechain (hippo.feature.Feature 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) 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) 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.tags.TagTable method) supplier (hippo.compound.Ingredient property) (hippo.cset.IngredientSet property) (hippo.quote.Quote 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) total_changes (hippo.db.Database property) type (hippo.interaction.Interaction property) (hippo.quote.Quote property) (hippo.reaction.Reaction 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 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

var() (hippo.web.ProjectPage method)

W

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)