#molecular_generation — top 20, last 30d
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MARD-Mol: A Hybrid Autoregressive-Diffusion Paradigm for Coarse-Grained Molecular Modeling.
(academic.oup.com)
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Bioinformatics 2026-08-06 | #drug design #generative_models #diffusion #molecular_generation #optimization | |
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ActivityDiff: A diffusion model with Positive and Negative Activity Guidance for De Novo Drug Design.
(academic.oup.com)
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Bioinformatics 2026-08-06 | #drug design #diffusion #generative_models #molecular_generation #selectivity |