High-Throughput Predicting Protein Structures with AlphaFold3 on the OSPool

Interested in running hundreds-to-thousands of AlphaFold3 predictions?

This hands-on tutorial introduces researchers to running AlphaFold3 at large scale on the Open Science Pool (OSPool). Participants will learn how to prepare AlphaFold3 inputs, separate the workflow into CPU-based alignment generation and GPU-accelerated structure prediction, submit and manage jobs with HTCondor, and use containers and distributed data resources to build scalable and reproducible protein structure prediction workflows. Participants will also learn about the OSPool AlphaFold MSA Library, a service aimed at reducing researchers time-to-results by caching and reusing alignments across different jobs.

Prerequisites

• Basic understanding of HPC/HTC systems
• Experience with the command line
• Some familiarity with HTCondor and Alphafold3 is recommended but not required

Register here