poli.objective_repository.drd3_docking.register

poli.objective_repository.drd3_docking.register#

Implements the DRD3 docking task using the TDC oracles [1].

References

[1] Artificial intelligence foundation for therapeutic science.

Huang, K., Fu, T., Gao, W. et al. Nat Chem Biol 18, 1033-1036 (2022). https://doi.org/10.1038/s41589-022-01131-2

Classes

DRD3BlackBox([string_representation, ...])

DRD3BlackBox is a class that represents a black box for DRD3 docking.

DRD3ProblemFactory()

Factory class for creating DRD3 docking problems.