| FABind+: Enhancing Molecular Docking through Improved Pocket Prediction and Pose Generation | Mar 29, 2024 | Blind DockingDrug Discovery | CodeCode Available | 2 |
| Deep Confident Steps to New Pockets: Strategies for Docking Generalization | Feb 28, 2024 | Blind Docking | CodeCode Available | 5 |
| Quantum-Inspired Machine Learning for Molecular Docking | Jan 22, 2024 | Blind DockingCombinatorial Optimization | —Unverified | 0 |
| Multi-scale Iterative Refinement towards Robust and Versatile Molecular Docking | Nov 30, 2023 | Blind DockingGPU | —Unverified | 0 |
| FABind: Fast and Accurate Protein-Ligand Binding | Oct 10, 2023 | Blind DockingDrug Discovery | CodeCode Available | 1 |
| DSDP: A Blind Docking Strategy Accelerated by GPUs | Mar 16, 2023 | Blind DockingDrug Discovery | —Unverified | 0 |
| DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking | Oct 4, 2022 | Blind DockingDrug Design | CodeCode Available | 3 |
| State-specific protein-ligand complex structure prediction with a multi-scale deep generative model | Sep 30, 2022 | BenchmarkingBlind Docking | CodeCode Available | 2 |
| EquiBind: Geometric Deep Learning for Drug Binding Structure Prediction | Feb 7, 2022 | Blind DockingDeep Learning | CodeCode Available | 2 |
