| Functional-Group-Based Diffusion for Pocket-Specific Molecule Generation and Elaboration | May 30, 2023 | Drug Design | CodeCode Available | 2 |
| SILVR: Guided Diffusion for Molecule Generation | Apr 21, 2023 | Drug Design | CodeCode Available | 2 |
| 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction | Mar 6, 2023 | Drug Design | CodeCode Available | 2 |
| Multi-modal Molecule Structure-text Model for Text-based Retrieval and Editing | Dec 21, 2022 | Contrastive LearningDrug Design | CodeCode Available | 2 |
| A Systematic Survey of Chemical Pre-trained Models | Oct 29, 2022 | Drug Designmolecular representation | CodeCode Available | 2 |
| Structure-based Drug Design with Equivariant Diffusion Models | Oct 24, 2022 | Drug DesignSpecificity | CodeCode Available | 2 |
| Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets | May 15, 2022 | Drug DesignGraph Neural Network | CodeCode Available | 2 |
| A 3D Generative Model for Structure-Based Drug Design | Mar 20, 2022 | Drug Designvalid | CodeCode Available | 2 |
| Hopfield Networks is All You Need | Jul 16, 2020 | AllDrug Design | CodeCode Available | 2 |
| Multi-Objective Molecule Generation using Interpretable Substructures | Feb 8, 2020 | DiversityDrug Design | CodeCode Available | 2 |
