poli.objective_repository.penalized_logp_lambo.register#
This module implements LogP in _exactly_ the same was as LaMBO does it [1]. We do this by importing the function they use to compute logp.
References
[1] “Accelerating Bayesian Optimization for Biological Sequence Design with Denoising Autoencoders.” Stanton, Samuel, Wesley Maddox, Nate Gruver, Phillip Maffettone, Emily Delaney, Peyton Greenside, and Andrew Gordon Wilson. arXiv, July 12, 2022. http://arxiv.org/abs/2203.12742.
Classes
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A black box objective function that returns the penalized logP of a molecule, using the same function that LaMBO [1] uses. |