Running Boltz-2 inference at scale in Nebius

AI foundation models, specifically Boltz-2, are revolutionizing drug discovery by rapidly predicting molecular interactions with disease-related proteins, significantly enhancing the speed and accuracy of identifying potential therapeutic compounds. Boltz-2 achieves near-experimental accuracy at a fraction of the computational cost of traditional methods, allowing high-throughput screening of hundreds of thousands of compounds per day when used in high-performance computing environments. The model's integration into Nebius AI Cloud utilizes Managed Kubernetes to orchestrate GPU resources and shared filesystems, facilitating efficient, large-scale biomolecular inference. This setup supports the entire drug discovery pipeline from hit discovery to lead optimization by enabling rapid, scalable, and cost-effective simulations. The framework described includes the deployment of Boltz-2 in a secure, compliant cloud environment, emphasizing the importance of efficient data management and workflow orchestration to support intensive drug discovery workloads.

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