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Seminar by Prof. Rocío Mercado on artificial intelligence in biomolecular modeling
Seminar by Prof. Rocío Mercado on artificial intelligence in biomolecular modeling
Deep generative models for biomolecular engineering. In this talk, I will discuss the development of deep generative models for various molecular engineering tasks relevant to early-stage drug discovery. These include a model for synthesizability-constrained molecular generation, a reinforcement learning framework for molecular graph optimization, and recent applications from our group to the design of large modalities for targeted protein degradation.
