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September 4, 2026cs.LGcs.AI

NEAT-POCKET: Pocket-Conditioned Autoregressive 3D Molecular Generation with a Neighborhood-Guided Set Transformer

Roxane Axel Jacob, Daniel Rose, Thierry Langer, Johannes Kirchmair
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cs.LG, cs.AI

NEAT-POCKET: Pocket-Conditioned | One9Founders