Isomorphic Labs Unveils IsoDDE, Drug Discovery AI Engine Surpassing AlphaFold 3

IsoDDE Surpasses AlphaFold 3

Isomorphic Labs, a Google DeepMind spinoff, unveiled IsoDDE (Isomorphic Drug Design Engine) in February 2026. According to the technical report, IsoDDE more than doubles AlphaFold 3's accuracy on protein-ligand generalization tasks.

While AlphaFold 3 won the 2024 Nobel Prize in Chemistry for protein structure prediction, IsoDDE takes it further by running drug design directly on computers, cutting discovery timelines from years to months.

Revolutionizing Drug Development

Traditional drug development took years just to identify candidate molecules. IsoDDE enables:

Full molecular complex 3D structure generation: Predicts interactions between proteins, DNA, RNA, and ligands (drug molecules)

Precise binding affinity prediction: Simulates how drug candidates bind to target proteins at atomic resolution

Computer-based drug design: Virtual screening selects optimal candidates before lab synthesis

$3 Billion Partnerships with Eli Lilly and Novartis

Isomorphic Labs currently has partnerships worth $3 billion with Eli Lilly and Novartis, developing multiple drugs. The decision not to release AlphaFold 3's code was largely due to Isomorphic Labs' commercial use.

The Biological Singularity in Pharma

As of February 2026, AlphaFold is no longer just a research tool but the backbone of multi-billion-dollar pharmaceutical pipelines. IsoDDE's emergence signals we're one step closer to a 'Biological Singularity' where AI leads every stage of drug development.

Source: Tech Startups, Google DeepMind