Generative AI Microservices for Virtual Screening

Virtual screening for new medicines is a computationally intractable problem. Existing techniques can only scan billions of compounds and require days on thousands of standard compute nodes. NVIDIA BioNeMo microservices enable a new generative screening paradigm. Using a generated 3D protein structure as a guide, NVIDIA MolMIM generates, optimizes, and screens high-quality candidate molecules in a matter of minutes. Get Started: Key Points: - BioNeMo allows us to build a virtual screening pipeline with microservices: protein folding, molecule generation, and docking. - MolMIM performs multi-parameter optimization to guide molecule generation. - MolMIM intertwines physics and generative AI (physics: docking, structure-guided) to guide the generative model. - BioNeMo’s microservices allow us to architect this incredibly powerful application very simply. #generativeAI #DrugDiscovery #VirtualScreening #GTC24