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3d molecule generation

13 papers

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Co-occurring keywords · papers mentioning both

diffusion model (6) molecule generation (4) structure-based drug design (3) protein pocket (2) equivariant network (2) graph neural network (2) equivariant modeling (2) molecular generation (2) drug discovery (2) latent space (2)

Papers

Apo2Mol: 3D Molecule Generation via Dynamic Pocket-Aware Diffusion Models AAAI 2026 Accelerating 3D Molecule Generation via Jointly Geometric Optimal Transport ICLR 2025 Learning Disentangled Equivariant Representation for Explicitly Controllable 3D Molecule Generation AAAI 2025 NExT-Mol: 3D Diffusion Meets 1D Language Modeling for 3D Molecule Generation ICLR 2025 Latent 3D Graph Diffusion ICLR 2024 Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models ICLR 2024 Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks ICLR 2024 Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation NeurIPS 2023 Geometric Latent Diffusion Models for 3D Molecule Generation ICML 2023 Learning Subpocket Prototypes for Generalizable Structure-based Drug Design ICML 2023 MDM: Molecular Diffusion Model for 3D Molecule Generation AAAI 2023 MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation ICML 2023 Generating 3D Molecules for Target Protein Binding ICML 2022