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molecule design

8 papers

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Co-occurring keywords · papers mentioning both

molecular generation (2) drug discovery (2) reinforcement learning (2) text-molecule alignment (1) inverse folding (1) scaffold hopping (1) 3d structure-based drug design (1) virtual long-term dependency (1) rna folding (1) hierarchical latent distribution (1)

Papers

MoE-Guided Graph Diffusion for Oriented Molecule Design AAAI 2026 Enhancing Cross Text-Molecule Learning by Self-Augmentation ACL 2024 TurboHopp: Accelerated Molecule Scaffold Hopping with Consistency Models NeurIPS 2024 UniIF: Unified Molecule Inverse Folding NeurIPS 2024 Advancing Bayesian Optimization via Learning Correlated Latent Space NeurIPS 2023 Equivariant Energy-Guided SDE for Inverse Molecular Design ICLR 2023 Graph Neural Network Bandits NeurIPS 2022 Probabilistic Transformer: Modelling Ambiguities and Distributions for RNA Folding and Molecule Design NeurIPS 2022