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News/Budgeted Quotient-Residual Guidance for Frozen Pocket-Conditioned Molecular Diffusion
arxiv
PublishedSeptember 29, 2026 at 4:00 AM

Budgeted Quotient-Residual Guidance for Frozen Pocket-Conditioned Molecular Diffusion

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arXiv:2609.31222v1 Announce Type: new Abstract: Pocket-conditioned molecular diffusion updates ambient atom coordinates, but many lead-optimization objectives are expressed on quotient features such as distances, contacts, and anchored substructures. We introduce budgeted quotient-residual guidance

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