#molecular_generation — top 20, last 30d
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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 | |
| 1 | ℹ |
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 | |
| 0 | ℹ |
DesignMaster: A Multi-Conditional Diffusion Framework for Rational PROTAC Design.
(academic.oup.com)
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Bioinformatics 2026-09-24 | #protein degradation #drug design #generative_models #molecular_generation #computational chemistry | |
| 0 | ℹ |
AIDrugDesigner: a web server for drug-like molecules generation and optimization.
(academic.oup.com)
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Bioinformatics 2026-09-21 | #deep learning #drug design #cheminformatics #molecular_generation |