| 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 |
| Scalable Autoregressive 3D Molecule Generation | May 20, 2025 | 3D Molecule Generation | —Unverified | 0 |
| GEOM-Drugs Revisited: Toward More Chemically Accurate Benchmarks for 3D Molecule Generation | Apr 30, 2025 | 3D Molecule GenerationBenchmarking | CodeCode Available | 1 |
| Towards Unified Latent Space for 3D Molecular Latent Diffusion Modeling | Mar 19, 2025 | 3D Molecule GenerationDrug Discovery | —Unverified | 0 |
| Straight-Line Diffusion Model for Efficient 3D Molecular Generation | Mar 4, 2025 | 3D Molecule GenerationImage Generation | CodeCode Available | 0 |
| ReQFlow: Rectified Quaternion Flow for Efficient and High-Quality Protein Backbone Generation | Feb 20, 2025 | 3D Molecule GenerationProtein Design | 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 |
| BoKDiff: Best-of-K Diffusion Alignment for Target-Specific 3D Molecule Generation | Jan 26, 2025 | 3D Molecule GenerationDrug Design | CodeCode Available | 0 |
| Score-based 3D molecule generation with neural fields | Jan 15, 2025 | 3D Molecule Generation | CodeCode Available | 1 |
| D3MES: Diffusion Transformer with multihead equivariant self-attention for 3D molecule generation | Jan 13, 2025 | 3D Molecule Generation | CodeCode Available | 1 |
| Learning Disentangled Equivariant Representation for Explicitly Controllable 3D Molecule Generation | Dec 19, 2024 | 3D Molecule GenerationDrug Discovery | —Unverified | 0 |
| LMDM:Latent Molecular Diffusion Model For 3D Molecule Generation | Dec 5, 2024 | 3D Molecule GenerationDiversity | —Unverified | 0 |
| Text-guided Diffusion Model for 3D Molecule Generation | Oct 4, 2024 | 3D Molecule GenerationDiversity | —Unverified | 0 |
| Covariance-Adaptive Sequential Black-box Optimization for Diffusion Targeted Generation | Jun 2, 2024 | 3D Molecule Generation | —Unverified | 0 |
| BInD: Bond and Interaction-generating Diffusion Model for Multi-objective Structure-based Drug Design | May 27, 2024 | 3D Molecule GenerationDrug Design | CodeCode Available | 1 |
| Fast 3D Molecule Generation via Unified Geometric Optimal Transport | May 24, 2024 | 3D Molecule Generation | —Unverified | 0 |
| Mixed Continuous and Categorical Flow Matching for 3D De Novo Molecule Generation | Apr 30, 2024 | 3D Molecule Generation | CodeCode Available | 2 |
| ControlMol: Adding Substructure Control To Molecule Diffusion Models | Apr 22, 2024 | 3D Molecule GenerationDrug Design | —Unverified | 0 |
| Unified Generative Modeling of 3D Molecules via Bayesian Flow Networks | Mar 17, 2024 | 3D Molecule Generation | CodeCode Available | 2 |
| Geometric-Facilitated Denoising Diffusion Model for 3D Molecule Generation | Jan 5, 2024 | 3D Molecule GenerationDenoising | CodeCode Available | 0 |
| Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for 3D Molecule Generation | Nov 27, 2023 | 3D geometry3D Molecule Generation | CodeCode Available | 1 |
| Navigating the Design Space of Equivariant Diffusion-Based Generative Models for De Novo 3D Molecule Generation | Sep 29, 2023 | 3D Molecule GenerationDrug Discovery | —Unverified | 0 |
| Shape-conditioned 3D Molecule Generation via Equivariant Diffusion Models | Aug 23, 2023 | 3D Molecule GenerationDrug Design | —Unverified | 0 |
