AGI House memo: foundation models enter the "structure to function" phase in drug discovery

agihouse_org · x · 2026-09-07

AGI House published a memo, "From Structure to Function: The Next Phase of Foundation Models in Drug Discovery," on the current state of foundation models in drug discovery.

Where traditional computational approaches relied on physics-based simulations or task-specific models trained on narrow datasets, foundation models offer large-scale pretraining on biological data followed by adaptation to downstream tasks. The memo examines the technical characteristics distinguishing domain-specific from general-purpose models, the bottlenecks constraining practical utility, and the directions believed most promising.

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