sokrypton: small-molecule AlphaFold needs ligand data across the tree of life

sokrypton · x · 2026-11-04

sokrypton argues that replicating protein structure prediction's success for small molecules requires collecting equivalent data: for proteins it was genomics/metagenomics; for small molecules, we need ways to identify presence/absence of ligands for each organism across the entire tree of life.

Related event: ESMFold author proposes tree-of-life ligand survey to replicate AlphaFold success for small molecules(8 posts)→

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