#molecular_generation — top 20, last 14d
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Pocket Contrastive Learning and Conformation Fusion for Robust Structure-Conditioned 3D Molecular Generation under Receptor Conformational Variation.
(academic.oup.com)
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Bioinformatics 2026-10-05 | #molecular_generation #protein structure #docking #deep learning #drug design | |
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Multi-Objective-Conditioned-Return-Blocks Decision Transformer: A Novel Approach for Multi-Objective De Novo Drug Design.
(academic.oup.com)
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Bioinformatics 2026-10-01 | #deep learning #drug design #molecular_generation #multi-objective-optimization |