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ElMerFold: Exascale AI for Protein Structure Prediction with El Capitan

abstract background

DProtein structure prediction is foundational to modern biology, enabling breakthroughs in drug discovery, enzyme engineering, and AI-driven science. We present ElMerFold, a production-scale synthetic data generation workflow running on the El Capitan system at 11,000 nodes and 44,000 APUs. ElMerFold processes ~41 million proteins at 2,378 structures/s, achieving a 16.3× improvement over prior approaches and reaching 969 PFLOP/s FP32 inference performance.

July 23, 2026 16:20 - 16:40

Dr. Nicholas Malaya
Dr. Nicholas Malaya

AMD Fellow, HPC and Sovereign AI | AMD

Dr. Brian Van Essen
Dr. Brian Van Essen

Senior Computer Scientist | Lawrence Livermore National Laboratory

Topic

Enterprise AI

AI Training & Inference

Session Type

Tech Talk

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