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ligand generation

4 papers

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Co-occurring keywords · papers mentioning both

diffusion model (3) structure-based drug design (2) molecule generation (2) drug design (2) bioassay context (1) bond diffusion (1) structure-based design (1) ligand design (1) molecular grammar (1) graph neural network (1)

Papers

Apo2Mol: 3D Molecule Generation via Dynamic Pocket-Aware Diffusion Models AAAI 2026 Assay2Mol: Large Language Model-based Drug Design Using BioAssay Context EMNLP 2025 DecompOpt: Controllable and Decomposed Diffusion Models for Structure-based Molecular Optimization ICLR 2024 DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design ICML 2023