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molecule generation

81 papers

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Co-occurring keywords · papers mentioning both

diffusion model (20) generative model (18) drug discovery (16) variational autoencoder (10) graph neural network (10) drug design (8) graph generation (8) latent space (7) binding affinity (6) molecular generation (5)

Papers

Equivariant Neural Diffusion for Molecule Generation NeurIPS 2024 Extracting Training Data from Molecular Pre-trained Models NeurIPS 2024 Free-form Flows: Make Any Architecture a Normalizing Flow AISTATS 2024 Geometric-Facilitated Denoising Diffusion Model for 3D Molecule Generation AAAI 2024 Geometric Trajectory Diffusion Models NeurIPS 2024 GxVAEs: Two Joint VAEs Generate Hit Molecules from Gene Expression Profiles AAAI 2024 Hyperbolic Graph Diffusion Model AAAI 2024 Lang2Mol-Diff: A Diffusion-Based Generative Model for Language-to-Molecule Translation Leveraging SELFIES Representation ACL 2024 Molecule Design by Latent Prompt Transformer NeurIPS 2024 Molecule Generation with Fragment Retrieval Augmentation NeurIPS 2024 Navigating Chemical Space with Latent Flows NeurIPS 2024 Navigating the Design Space of Equivariant Diffusion-Based Generative Models for De Novo 3D Molecule Generation ICLR 2024 QVAE-Mole: The Quantum VAE with Spherical Latent Variable Learning for 3-D Molecule Generation NeurIPS 2024 Reprogramming Pretrained Target-Specific Diffusion Models for Dual-Target Drug Design NeurIPS 2024 Repurformer: Transformers for Repurposing-Aware Molecule Generation ACL 2024 Score-based 3D molecule generation with neural fields NeurIPS 2024 Searching for High-Value Molecules Using Reinforcement Learning and Transformers ICLR 2024 SPARK: Harnessing Human-Centered Workflows with Biomedical Foundation Models for Drug Discovery IJCAI 2024 Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for 3D Molecule Generation ICLR 2024 Text-Guided Molecule Generation with Diffusion Language Model AAAI 2024 Training-free Multi-objective Diffusion Model for 3D Molecule Generation ICLR 2024 Vertical Validation: Evaluating Implicit Generative Models for Graphs on Thin Support Regions UAI 2024 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction ICLR 2023 Autoregressive Diffusion Model for Graph Generation ICML 2023 Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D ICML 2023