Acellera runs an unsupervised virtual lab of AI scientists on a real IL-23 molecular discovery program
gdefabritiis · x · 2026-10-21
Acellera founder Gianni De Fabritiis shows a virtual lab of AI scientists working largely unsupervised on a real drug discovery target, IL-23R–p19. Frontend agents coordinate while independent agents share progress via an HTML wiki and molecule leaderboard: they analyze protein structures, retrieve compounds, design analogs, dock, run MD simulations, and compare binding free energies. From 2,429 molecular records, three candidates (W5004, PS2B013, W5003) survived three 40ns simulation runs each, forming a panel for experimental testing.
Related event: Acellera Shows Autonomous AI Agent Lab Can Find Drug Leads(2 posts)→
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