Open Discovery Challenge: Four Diseases, Four Targets, One Verifier

2026-10-19 · VIDRAFT AI Media

aidrugdiscoverysciencebenchmarks

TL;DR

The Open Discovery Challenge asks for one thing: a molecule, written as SMILES. Every entry goes through the same automated verifier and lands on a public leaderboard.

Seasons

Season Disease Target Counter target Closes Prize
1 Malaria PfDHODH human DHODH 2026-09-30 USD 1,000 (closed)
2 Tuberculosis InhA human FASN (ER domain) 2026-10-31 USD 2,000
3 Chagas disease T. cruzi CYP51 human CYP51A1 2026-11-30 USD 1,000
4 Non-opioid analgesia Nav1.7 (VSD4) hERG 2027-01-31 USD 1,000

The counter target is the point. A molecule that binds the human protein as strongly as the pathogen's does not win on potency alone.

How the verifier scores

Six axes: activity, binding, selectivity, ADMET, novelty and synthesis. The weights change by season because the biology changes. For the analgesia season, binding and selectivity carry 30 points each, because a sodium-channel drug that also hits hERG is a cardiac risk.

Every entry is docked repeatedly and the spread is reported with the score, so one lucky pose cannot decide a rank. If any axis cannot be computed, no score is written: a missing axis is a state, not a zero.

What stays private

The scoring code, the gate thresholds beyond the published entry limits and the novelty reference sets. Publishing them would let an entry be shaped against the grader rather than the biology.

Facts and entry limits: github.com/final-bench/open-discovery-challenge

These are computational predictions, not experimental measurements. A high score is a hypothesis worth testing in a laboratory.