newsNature Machine IntelligenceTrust 88 · LabPublished 2mo agoLive · 1mo ago
Bridging three-dimensional molecular structures and artificial intelligence with a conformation description language
Nature Machine Intelligence, Published online: 11 June 2026; doi:10.1038/s42256-026-01250-8 Xiong et al. introduce ConfSeq, a molecular conformation description language that enables language models to perform three-dimensional molecular modelling tasks, including conformer prediction, three-dimensional molecular generation and representation, with strong performance.
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