Index

A

apply_mutations() (in module lacan.mutate)

apply_mutations_mols() (in module lacan.mutate) assess_per_bond() (in module lacan.lacan)

B

best_score (lacan.gen.HallOfFame property) bias_corpus() (in module lacan.gen)

bond_is_protected() (in module lacan.protect) breed() (in module lacan.breed)

C

combine_frags (in module lacan.breed) compare() (lacan.gen.GAReporter static method)

cross_breed_mols() (in module lacan.breed) crossover_fragments() (in module lacan.breed)

D

decompose1 (in module lacan.decompose) (in module lacan.replace) decompose2 (in module lacan.decompose)

decompose_molecule() (in module lacan.decompose) decorate_scaffold() (in module lacan.replace) doubledummy (in module lacan.decompose) (in module lacan.replace)

F

fragment_molecule() (in module lacan.breed)

G

GAReporter (class in lacan.gen) generate_filtered_molecule() (in module lacan.gen) generate_filtered_molecules() (in module lacan.gen) generate_optimized_molecules() (in module lacan.gen) generate_random_molecule() (in module lacan.gen) get_all_decompositions() (in module lacan.decompose) get_atom_invariants() (in module lacan.lacan)

get_bonds_string() (in module lacan.decompose) get_corpus() (in module lacan.decompose) get_corpus_from_mols() (in module lacan.gen) get_default_profile() (in module lacan.lacan) get_neighbors() (in module lacan.lacan) get_profile_for_mols() (in module lacan.lacan) get_protected_atoms() (in module lacan.protect) get_protected_bond_indices() (in module lacan.protect)

H

HallOfFame (class in lacan.gen) hash_invariants() (in module lacan.lacan)

hit_rate (lacan.gen.ThompsonBandit property) htodummy (in module lacan.replace)

L

lacan.breed module lacan.decompose module lacan.gen module lacan.lacan module

lacan.mutate module lacan.protect module lacan.replace module load_corpus() (in module lacan.gen) (in module lacan.replace) load_profile() (in module lacan.lacan)

M

module lacan.breed lacan.decompose lacan.gen lacan.lacan lacan.mutate lacan.protect lacan.replace

mol_cleaner() (in module lacan.protect) mol_to_pairs() (in module lacan.lacan) mutate_ops (in module lacan.mutate) mutate_smarts (in module lacan.mutate)

N

next_population() (in module lacan.gen)

nonringdummy (in module lacan.decompose)

O

offer() (lacan.gen.HallOfFame method)

optimize_from_mol() (in module lacan.gen)

P

plot() (lacan.gen.GAReporter method) PROP (in module lacan.protect)

protect_bonds_for_idx() (in module lacan.protect) protect_rejected_bonds() (in module lacan.protect)

R

reaction_touches_protected() (in module lacan.protect) replace_linker() (in module lacan.replace) replace_ring() (in module lacan.replace) replace_substituent() (in module lacan.replace)

reset_stats() (lacan.gen.ThompsonBandit method) ringdummy (in module lacan.decompose) rxn1 (in module lacan.replace) rxn2 (in module lacan.replace)

S

sample_weights() (lacan.gen.ThompsonBandit method) save() (lacan.gen.ThompsonBandit method) save_frags() (in module lacan.decompose) score_mol() (in module lacan.lacan)

score_mol_ignoring_protected_bonds() (in module lacan.protect) singledummy (in module lacan.decompose) (in module lacan.replace) summary() (lacan.gen.GAReporter method) (lacan.gen.ThompsonBandit method)

T

ThompsonBandit (class in lacan.gen)

top() (lacan.gen.HallOfFame method)

U

update() (lacan.gen.ThompsonBandit method)