poli.core.chemistry#

Contains the implementations of core chemistry-related black boxes.

Modules

poli.core.chemistry.data_packages

poli.core.chemistry.tdc_black_box

Implements an abstract TDC black box for all the PMO [1, 2] related problems.

poli.core.chemistry.tdc_isolated_function

Implement a wrapper around the Therapeutics Data Commons (TDC) oracles [1].

poli.core.chemistry.tdc_problem