Isomorphic Labs: AI designed a drug molecule in days instead of years

Demis Hassabis's Isomorphic Labs published the article “Building a new path to make medicines with AI” on September 29, 2026, introducing the IsoDDE platform, whose generative agents designed a molecule from a space of ~10^60 compounds in 2–4 days. In wet-lab tests, it successfully modulated a biological target and outperformed a reference that took researchers 3–5 years.

Compiled by Sergey KostenchukPublished 2026-10-05Updated 2026-10-05

2026-10-05 Research Google

🤖 Isomorphic Labs: AI designed a drug molecule in days instead of years

Demis Hassabis's company (grown out of Google DeepMind) presented the Drug Design Engine (IsoDDE) on September 29, 2026: generative agents designed a molecule from a space of ~10^60 compounds in 2–4 days. In wet-lab tests, it modulated the target and outperformed a reference that took scientists 3–5 years.

🌍 Instead of screening 10^5–10^9 compounds for months, IsoDDE designs molecules to specification — target, selectivity, solubility. If the pace is confirmed in the clinic, the economics of preclinical development will change.

👤 This is a continuation of the AlphaFold story. For now, this is a corporate statement: methodology and metrics are not disclosed. The marker is the first IsoDDE candidates entering clinical trials.

Source 1: https://www.isomorphiclabs.com/articles/building-a-new-path-to-make-medicines-with-ai Source 2: https://news.ycombinator.com/item?id=49960090

Sources