navicatGA.wrappers_selfies

Attributes

lg

logger

Functions

mol_structure2cm(mol)

mol_structure2depictions(mol_structure[, root_name])

Generate 2D and 3D depictions from an rdkit.mol object with 3D coordinates.

sc2cm(chromosome[, order])

sc2depictions(chromosome[, root_name, lot])

Generate 2D and 3D depictions from a list of selfies characters.

sc2ilogp(chromosome)

sc2krr(chromosome)

sc2levenshtein_to_target(chromosome, target_selfie)

sc2logp(chromosome)

sc2mol_structure(chromosome[, lot])

Generates a rdkit.mol object with 3D coordinates from a list of selfies characters.

sc2mv(chromosome)

sc2mw(chromosome)

sc2mwilogp(chromosome)

sc2nmw(chromosome)

sc2selfies(chromosome)

Generate a selfies string from a list of selfies characters.

sc2smiles(chromosome)

Generate a canonical smiles string from a list of selfies characters.

sc2tanimoto_to_target(chromosome, target_selfie)

Module Contents

Generate 2D and 3D depictions from an rdkit.mol object with 3D coordinates.

Generate 2D and 3D depictions from a list of selfies characters.

Generates a rdkit.mol object with 3D coordinates from a list of selfies characters.

Generate a selfies string from a list of selfies characters.

Generate a canonical smiles string from a list of selfies characters.