| BInD: Bond and Interaction-generating Diffusion Model for Multi-objective Structure-based Drug Design | May 27, 2024 | 3D Molecule GenerationDrug Design | CodeCode Available | 1 |
| Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for 3D Molecule Generation | Nov 27, 2023 | 3D geometry3D Molecule Generation | CodeCode Available | 1 |
| 3D molecule generation by denoising voxel grids | Jun 13, 2023 | 3D Molecule GenerationDenoising | CodeCode Available | 1 |
| Learning Subpocket Prototypes for Generalizable Structure-based Drug Design | May 22, 2023 | 3D Molecule GenerationDrug Design | CodeCode Available | 1 |
| Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation | May 21, 2023 | 3D Molecule GenerationDrug Discovery | CodeCode Available | 1 |
| MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation | May 11, 2023 | 3D Molecule Generation | CodeCode Available | 1 |
| Graph Generation with Diffusion Mixture | Feb 7, 2023 | 3D Molecule GenerationGraph Generation | CodeCode Available | 1 |
| Bures-Wasserstein Flow Matching for Graph Generation | Jun 16, 2025 | 3D Molecule GenerationDrug Discovery | —Unverified | 0 |
| Scalable Non-Equivariant 3D Molecule Generation via Rotational Alignment | Jun 11, 2025 | 3D Molecule GenerationDenoising | CodeCode Available | 0 |
| Applications of Modular Co-Design for De Novo 3D Molecule Generation | May 23, 2025 | 3D Molecule GenerationDenoising | —Unverified | 0 |
