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Wen-Di Cai

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Preprint Sep 2026

Symmetry-Aware Flow Matching for End-to-end Molecular Crystal Generation

Molecular crystal packing shapes properties from drug bioavailability to charge transport, yet generating realistic structures requires coordinating molecular flexibility, intermolecular interactions and symmetry. Here we introduce SALA, a flow-matching model built on state--context separation: it evolves only asymmetr...

Wen-Di Cai, Fan-Yang Mo · 0 citations

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