Knowing the physical structure of proteins is an important part of the drug discovery process. Machine learning (ML) algorithms like AlphaFold have revolutionized discoveries leading to usable protein structures.

In this first part of a two-part series, Brian Loyal gives us a primer about the challenges of discovering protein structures in feasible amounts of time.

In the second part, he walks us through his open-source architecture for building these models at scale on AWS Batch, and shows how a relative newcomer OpenFold is shifting things again, with a much faster time to result.

If you have ideas for technical topics you’d like to see us cover in a future show, let us know by finding us on Twitter (@TechHpc) and DM’ing us with your idea.