| 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 |
