| Geometry-Complete Diffusion for 3D Molecule Generation and Optimization | Feb 8, 2023 | 3D Molecule GenerationDenoising | CodeCode Available | 2 |
| FastFlows: Flow-Based Models for Molecular Graph Generation | Jan 28, 2022 | Graph GenerationMolecular Graph Generation | CodeCode Available | 2 |
| 3M-Diffusion: Latent Multi-Modal Diffusion for Language-Guided Molecular Structure Generation | Mar 11, 2024 | DecoderDrug Discovery | CodeCode Available | 1 |
| A Simple and Scalable Representation for Graph Generation | Dec 4, 2023 | Graph GenerationMolecular Graph Generation | CodeCode Available | 1 |
| Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation | May 21, 2023 | 3D Molecule GenerationDrug Discovery | CodeCode Available | 1 |
| MolHF: A Hierarchical Normalizing Flow for Molecular Graph Generation | May 15, 2023 | Graph GenerationMolecular Graph Generation | CodeCode Available | 1 |
| Target Specific De Novo Design of Drug Candidate Molecules with Graph Transformer-based Generative Adversarial Networks | Feb 15, 2023 | Generative Adversarial NetworkMolecular Graph Generation | CodeCode Available | 1 |
| Graph Generation with Diffusion Mixture | Feb 7, 2023 | 3D Molecule GenerationGraph Generation | CodeCode Available | 1 |
| Conditional Diffusion Based on Discrete Graph Structures for Molecular Graph Generation | Jan 1, 2023 | Drug DiscoveryGraph Generation | CodeCode Available | 1 |
| HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder | Dec 6, 2021 | BenchmarkingGraph Learning | CodeCode Available | 1 |
