William Lai [Cornell]
Assistant Research Professor
Director of the EpiGenomics Core Facility
Director of the Center for Vertebrate Genomics
Sessions
The AlphaFold AI system won the 2024 Chemistry Nobel Prize because of its predictive achievements poised to revolutionize disease understanding and drug discovery. Initially released as open-source (and now proprietary), researchers are working to improve the code to require less resources and maintain open-source accessibility. We present an open-source implementation of AlphaFold 2 & 3 that optimizes computational resource allocation by intelligently separating CPU and GPU phases within a single OOD instance. This addresses a critical challenge to make AlphaFold more accessible by minimizing idle GPU cycles. Benchmarking across three major clusters (NCSA Delta, Jetstream2, and ROAR), we developed a user-friendly OOD application that operates with maximum resource efficiency.