Deep Origin Congratulates Isomorphic Labs on Catching Up

Computational drug discovery company Deep Origin says Isomorphic has matched its docking performance, but the real test is in real-world drug discovery.

Published on Feb. 11, 2026

Got story updates? Submit your updates here. ›

Deep Origin, a computational drug discovery company, has congratulated Isomorphic Labs on the unveiling of their Drug Design Engine (IsoDDE) and its reported advances on the Runs N' Poses protein-ligand docking benchmark. Deep Origin previously presented results at the Aging Research and Drug Discovery (ARDD) 2025 conference showing that its physics-informed docking engine, DODock, greatly outperformed AlphaFold 3 and other leading docking methods on the same benchmark. Deep Origin has also applied its docking engine to prospective drug discovery on difficult real-world targets with promising results.

Why it matters

The advancement of accurate docking tools is crucial for the future of drug discovery, as it can help replace guesswork with computational precision. While benchmark success is important, the real test is in how these tools are used to actually find new drug candidates. Deep Origin's approach of combining atomistic physics-based models with machine learning aims to move drug discovery towards a more engineering-driven discipline.

The details

Deep Origin's DODock achieved comparable performance on the Runs N' Poses benchmark last year, using a fundamentally different approach than Isomorphic's IsoDDE. Deep Origin's team has also reported prospective drug discovery results, where they screened billions of compounds to identify candidates against the CD73 target, a high-value immuno-oncology target. Of 160 diverse candidates selected for experimental testing, 48 showed activity below 80 μM and 9 demonstrated potency below 10 μM.

  • In August 2025, Deep Origin Co-Founder and CEO Michael Antonov presented results at the Aging Research and Drug Discovery (ARDD) conference.
  • Last fall, at the AI/ML for Early Drug Discovery Chemistry conference in Barcelona, the Deep Origin team presented expanded results including prospective drug discovery data.
  • Yesterday, Isomorphic Labs announced the unveiling of their Drug Design Engine (IsoDDE).

The players

Deep Origin

A computational drug discovery company working to replace uncertainty with computational precision in small molecule drug discovery and development.

Isomorphic Labs

A company that has unveiled its Drug Design Engine (IsoDDE) and reported advances on the Runs N' Poses protein-ligand docking benchmark.

Michael Antonov

The co-founder and CEO of Deep Origin.

Dr. Garegin Papoian

The co-founder and Chief Scientific Officer of Deep Origin.

CD73 (5'-nucleotidase NT5E)

A high-value immuno-oncology target where prior virtual screening campaigns have been largely unsuccessful.

Got photos? Submit your photos here. ›

What they’re saying

“We're glad to see Isomorphic Labs reaching performance levels comparable to what we presented months ago. More accurate docking is good for drug discovery, full stop. But benchmarks are table stakes. The real question is how these tools are used to actually find drugs, and whether you can get your docking in the hands of many scientists—and we're doing that.”

— Michael Antonov, Co-Founder and CEO, Deep Origin (businessinsider.com)

“Our approach with DODock combines atomistic physics with machine learning because we're practical: we use what works best, based on what we are trying to achieve. What matters is that these tools move us closer to a true engineering discipline in drug discovery, where you design a molecule computationally and it works the way you designed it. Benchmarks are one proof point. Our prospective drug discovery results are another.”

— Dr. Garegin Papoian, Co-Founder and Chief Scientific Officer, Deep Origin (businessinsider.com)

“So to our friends at Isomorphic Labs: nice work catching up on the docking benchmark. Now it's up to all of us to get these technologies to the people doing drug discovery work.”

— Michael Antonov, Co-Founder and CEO, Deep Origin (businessinsider.com)

What’s next

Deep Origin plans to launch its DODock tool publicly later in the first half of 2026, joining the company's growing suite of tools including Balto AI and DO Patent. The company is also accepting users on a case-by-case basis for early access to DODock.

The takeaway

The advancement of accurate computational docking tools is a crucial step in moving drug discovery towards a more engineering-driven discipline. While benchmark success is important, the real test is in how these tools are used to actually identify promising drug candidates. Deep Origin's approach of combining physics-based models with machine learning aims to put predictive computational chemistry directly in the hands of medicinal chemists, regardless of the size of their organization.