Isomorphic Labs unveiled the Isomorphic Labs Drug Design Engine (IsoDDE), claiming it more than doubles AlphaFold 3's accuracy on challenging protein-ligand structure prediction benchmarks for structures dissimilar to training data12.
IsoDDE predicts small molecule binding affinities exceeding gold-standard physics-based methods at a fraction of the time and cost, and identifies novel binding pockets using only protein sequences in seconds12.
The system achieves step-change generalization, particularly on difficult antibody regions like CDR-H3 loops, and is used daily in Isomorphic Labs' research programs2.
Isomorphic Labs announced a research collaboration with Johnson & Johnson on January 20, 2026, leveraging IsoDDE for multi-modality drug discovery including small molecules and biologics345.
IsoDDE technical details are in the company's report, building on AlphaFold 3 released in 20242.
Sources:
1. https://the-decoder.com/googles-ai-drug-discovery-spinoff-isomorphic-labs-claims-major-leap-beyond-alphafold-3/
2. https://www.isomorphiclabs.com/articles/the-isomorphic-labs-drug-design-engine-unlocks-a-new-frontier
3. https://www.isomorphiclabs.com/articles/isomorphic-labs-enters-into-a-research-collaboration-with-johnson-johnson
4. https://pharmaphorum.com/news/jj-bets-isomorphic-ai-powered-drug-hunt
5. https://jnjinnovation.com/news/strategic-partners-in-the-news/isomorphic-labs-enters-into-a-research-collaboration-with-johnson--johnson-to-combine-industryleading-ai-with-worldclass-drug-development-in-crossmodality-strategic-partnership