| ReQFlow: Rectified Quaternion Flow for Efficient and High-Quality Protein Backbone Generation | Feb 20, 2025 | 3D Molecule GenerationProtein Design | CodeCode Available | 2 |
| Mixed Continuous and Categorical Flow Matching for 3D De Novo Molecule Generation | Apr 30, 2024 | 3D Molecule Generation | CodeCode Available | 2 |
| NExT-Mol: 3D Diffusion Meets 1D Language Modeling for 3D Molecule Generation | Feb 18, 2025 | 3D Generation3D Molecule Generation | CodeCode Available | 2 |
| Geometry-Complete Diffusion for 3D Molecule Generation and Optimization | Feb 8, 2023 | 3D Molecule GenerationDenoising | CodeCode Available | 2 |
| Unified Generative Modeling of 3D Molecules via Bayesian Flow Networks | Mar 17, 2024 | 3D Molecule Generation | CodeCode Available | 2 |
| Equivariant Energy-Guided SDE for Inverse Molecular Design | Sep 30, 2022 | 3D Molecule GenerationDrug Discovery | CodeCode Available | 2 |
| Geometric Latent Diffusion Models for 3D Molecule Generation | May 2, 2023 | 3D Molecule GenerationUnconditional Molecule Generation | CodeCode Available | 2 |
| Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation | May 21, 2023 | 3D Molecule GenerationDrug Discovery | CodeCode Available | 1 |
| GEOM-Drugs Revisited: Toward More Chemically Accurate Benchmarks for 3D Molecule Generation | Apr 30, 2025 | 3D Molecule GenerationBenchmarking | CodeCode Available | 1 |
| Learning Subpocket Prototypes for Generalizable Structure-based Drug Design | May 22, 2023 | 3D Molecule GenerationDrug Design | CodeCode Available | 1 |
