Deep Origin Congratulates Isomorphic Labs on Catching Up

Computational drug discovery companies tout advances in protein-ligand docking

Published on Feb. 12, 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 across low-similarity systems on the same benchmark.

Why it matters

Accurate protein-ligand docking is crucial for identifying potential drug candidates, and the competition between Deep Origin and Isomorphic Labs highlights the rapid advancements in this field. As more companies develop powerful computational tools, the drug discovery process is becoming more efficient and data-driven.

The details

Deep Origin's DODock combines atomistic physics-based models with machine learning, while Isomorphic Labs' IsoDDE uses a different approach based on AI co-folding. Both companies have reported impressive results on the Runs N' Poses benchmark, with DODock exceeding a 90% success rate on the separate PoseBusters benchmark. Deep Origin has also applied its docking engine to prospective drug discovery on difficult real-world targets, identifying numerous active compounds against the CD73 target.

  • In August 2025, Deep Origin Co-Founder and CEO Michael Antonov presented results at the Aging Research and Drug Discovery (ARDD) 2025 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.
  • Isomorphic Labs recently unveiled their Drug Design Engine (IsoDDE) and reported advances on the Runs N' Poses benchmark.

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

Michael Antonov

Co-Founder and CEO of Deep Origin.

Dr. Garegin Papoian

Co-Founder and Chief Scientific Officer of Deep Origin.

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

“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

“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

What’s next

Deep Origin plans to launch its DODock tool publicly 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 competition between Deep Origin and Isomorphic Labs in the field of computational drug discovery highlights the rapid advancements in this space. As more companies develop powerful tools that can accurately predict protein-ligand interactions, the drug discovery process is becoming more efficient and data-driven, with the potential to identify promising drug candidates for difficult targets.