| Graph Generation with Diffusion Mixture | Feb 7, 2023 | 3D Molecule GenerationGraph Generation | CodeCode Available | 1 |
| 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 |
| MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation | May 11, 2023 | 3D Molecule Generation | CodeCode Available | 1 |
| BInD: Bond and Interaction-generating Diffusion Model for Multi-objective Structure-based Drug Design | May 27, 2024 | 3D Molecule GenerationDrug Design | CodeCode Available | 1 |
| Score-based 3D molecule generation with neural fields | Jan 15, 2025 | 3D Molecule Generation | CodeCode Available | 1 |
| Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for 3D Molecule Generation | Nov 27, 2023 | 3D geometry3D Molecule Generation | CodeCode Available | 1 |
| Shape-conditioned 3D Molecule Generation via Equivariant Diffusion Models | Aug 23, 2023 | 3D Molecule GenerationDrug Design | —Unverified | 0 |
| Fast 3D Molecule Generation via Unified Geometric Optimal Transport | May 24, 2024 | 3D Molecule Generation | —Unverified | 0 |
| Directional diffusion models for graph representation learning | Jun 22, 2023 | 3D Molecule GenerationDenoising | —Unverified | 0 |
