| Graph Generation with Diffusion Mixture | Feb 7, 2023 | 3D Molecule GenerationGraph Generation | CodeCode Available | 1 | 5 |
| Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation | May 21, 2023 | 3D Molecule GenerationDrug Discovery | CodeCode Available | 1 | 5 |
| GEOM-Drugs Revisited: Toward More Chemically Accurate Benchmarks for 3D Molecule Generation | Apr 30, 2025 | 3D Molecule GenerationBenchmarking | CodeCode Available | 1 | 5 |
| MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation | May 11, 2023 | 3D Molecule Generation | CodeCode Available | 1 | 5 |
| BInD: Bond and Interaction-generating Diffusion Model for Multi-objective Structure-based Drug Design | May 27, 2024 | 3D Molecule GenerationDrug Design | CodeCode Available | 1 | 5 |
| Score-based 3D molecule generation with neural fields | Jan 15, 2025 | 3D Molecule Generation | CodeCode Available | 1 | 5 |
| Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for 3D Molecule Generation | Nov 27, 2023 | 3D geometry3D Molecule Generation | CodeCode Available | 1 | 5 |
| Straight-Line Diffusion Model for Efficient 3D Molecular Generation | Mar 4, 2025 | 3D Molecule GenerationImage Generation | CodeCode Available | 0 | 5 |
| Scalable Non-Equivariant 3D Molecule Generation via Rotational Alignment | Jun 11, 2025 | 3D Molecule GenerationDenoising | CodeCode Available | 0 | 5 |
| BoKDiff: Best-of-K Diffusion Alignment for Target-Specific 3D Molecule Generation | Jan 26, 2025 | 3D Molecule GenerationDrug Design | CodeCode Available | 0 | 5 |
