Excited to announce that "Bayesian Illumination: Inference and Quality-Diversity Accelerate Generative Molecular Models" is now available! Key takeaway: Bayesian Illumination is 100x more effective than either genetic algorithms or deep generative models.

Preprint: https://doi.org/10.26434/chemrxiv-2024-tqf0x
GitHub: https://github.com/Jonas-Verhellen/Bayesian-Illumination
Docs: https://jonas-verhellen.github.io/Bayesian-Illumination/

Bayesian Illumination has been accepted at the ICML ML4LMS workshop! More updates to come!