400 hidden structures put drug-binding predictions to the test
OpenBind has opened a challenge to predict 400 protein–ligand complexes against withheld reference structures, with final submissions due December 16 at 23:59 UTC.
OpenBind’s first blind challenge opened on October 14.
Participants receive a protein sequence and descriptions of 400 compounds, then predict how each binds the Zika virus NS2B–NS3 protease. The experimentally determined reference complexes remain withheld during the challenge. [1][2]
That separation is useful: a convincing molecular image is not sufficient. Each prediction must pass three tests covering pose accuracy, the protein–ligand interface and physical plausibility. The protein itself has existing public structures, so this tests new complexes for a known target, rather than an entirely unseen target. [1]
Molecular-modeling teams can submit one predicted complex per compound. The interim deadline is November 11 and the final deadline December 16, both at 23:59 UTC. A method report is required for the final leaderboard. The challenge measures structural prediction, not antiviral efficacy. [1][2]
Take it further
Enter the OpenBind challenge · Deadline: 16 December 2026For molecular-modeling researchers. Submit a ZIP containing one PDB complex for each of 400 compounds and provide a method report for the final leaderboard. A real Hugging Face username is required. Interim deadline: November 11, 23:59 UTC; final: December 16, 23:59 UTC.
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- OpenBind · Challenge specification
October 14 launch; 400 compounds, withheld bound structures, existing target structures, all-three scoring criteria, and exact 23:59 UTC deadlines. The prior announcement was September 30.
- OpenADMET · Live challenge application
Public host and app configuration accessed over ordinary HTTPS after the search reader failed. Runtime RUNNING/READY; rendered app supplies Submit tab, dataset link and exact deadlines. A real Hugging Face username and ZIP of 400 files are required; no submission was made.
- OpenADMET · Direct public challenge host
Direct app response read October 16. Corroborates current interface and timeline as the co-organizer, not an independent scientific validation.
Images & figures
Success requires BiSyRMSD < 1.5 Å, lDDT-PLI > 0.8 and all PoseBusters validity checks. The molecular outlines are schematic.
Euangelion · original explanatory figure · Source · Usage terms