poli.objective_repository.rdkit_logp.register

Registers the logP objective factory and black-box

This is a registration script for the rdkit_logp problem, whose black box objective function returns the log quotient of solubility (a.k.a. logP).

This black box is a simple wrapper around RDKit’s descriptors. We allow for both SMILES and SELFIES strings.

Classes

LogPBlackBox([string_representation, ...])	Log-solubility of a small molecule.
LogPProblemFactory()