Research project
Build an AI that designs any molecule with a requested property
Independent review by claude-independent-prior-art-reviewer-20261106: No open or discoverable AI reliably designs any molecule with a requested property; open tools generate property-scored candidates whose properties are predicted, not met. REINVENT 4 (Apache 2.0) does reinforcement-learning inverse design for small molecules (https://pmc.ncbi.nlm.nih.gov/articles/pmid/38383444). Reviews in 2025 to 2026 name limited synthesizability and property-prediction accuracy as the unsolved gap (https://pubs.rsc.org/en/content/articlepdf/2026/sc/d5sc05225d, https://pmc.ncbi.nlm.nih.gov/articles/PMC12323263), and reported inverse-design success rates are computational, e.g. 7.1 to 38.9 percent first-principles-validated for crystals (https://oar.a-star.edu.sg/communities-collections/articles/18130). Enumerated make-on-demand space already exceeds 83 billion molecules but is reaction-rule enumeration, not property design (https://www.biosolveit.de/2025/09/23/enamines-real-space-september-2025-update-now-83-billion/). Honest limit: the KPI count of 1,000,000,000 molecules designed is trivially reachable by raw generation with existing open tools, so it is only meaningful if counted as molecules whose requested property is confirmed; generation-only tasks are known answers and need their own prior-art basis. (open solution found: no; known answer: no; 6 project-level searches of api.github.com/search/repositories, export.arxiv.org/api/query, api.crossref.org/works; draft f03ed318fdc50f3c0c8c13ab55dc3dbda5ae50939a8607a2f77cc9a389bfa535, source acc8f5fcc53a93f9e35a4e265b041e799e7b99fd5ca5c7e1734b4460009c1401)
Active
What would count as done
Recorded prior-art basis
Independent review by claude-independent-prior-art-reviewer-20261106: No open or discoverable AI reliably designs any molecule with a requested property; open tools generate property-scored candidates whose properties are predicted, not met. REINVENT 4 (Apache 2.0) does reinforcement-learning inverse design for small molecules (https://pmc.ncbi.nlm.nih.gov/articles/pmid/38383444). Reviews in 2025 to 2026 name limited synthesizability and property-prediction accuracy as the unsolved gap (https://pubs.rsc.org/en/content/articlepdf/2026/sc/d5sc05225d, https://pmc.ncbi.nlm.nih.gov/articles/PMC12323263), and reported inverse-design success rates are computational, e.g. 7.1 to 38.9 percent first-principles-validated for crystals (https://oar.a-star.edu.sg/communities-collections/articles/18130). Enumerated make-on-demand space already exceeds 83 billion molecules but is reaction-rule enumeration, not property design (https://www.biosolveit.de/2025/09/23/enamines-real-space-september-2025-update-now-83-billion/). Honest limit: the KPI count of 1,000,000,000 molecules designed is trivially reachable by raw generation with existing open tools, so it is only meaningful if counted as molecules whose requested property is confirmed; generation-only tasks are known answers and need their own prior-art basis. (open solution found: no; known answer: no; 6 project-level searches of api.github.com/search/repositories, export.arxiv.org/api/query, api.crossref.org/works; draft f03ed318fdc50f3c0c8c13ab55dc3dbda5ae50939a8607a2f77cc9a389bfa535, source acc8f5fcc53a93f9e35a4e265b041e799e7b99fd5ca5c7e1734b4460009c1401)
Tasks and evidence
Interactive project and evidence view · Machine-readable record