| FABind: Fast and Accurate Protein-Ligand Binding | Oct 10, 2023 | Blind DockingDrug Discovery | CodeCode Available | 1 |
| SE(3)-Equivariant Ternary Complex Prediction Towards Target Protein Degradation | Feb 26, 2025 | Blind DockingDecoder | CodeCode Available | 1 |
| GNNAS-Dock: Budget Aware Algorithm Selection with Graph Neural Networks for Molecular Docking | Nov 19, 2024 | Blind DockingDrug Discovery | —Unverified | 0 |
| Group Ligands Docking to Protein Pockets | Jan 25, 2025 | Blind DockingMolecular Docking | —Unverified | 0 |
| Multi-scale Iterative Refinement towards Robust and Versatile Molecular Docking | Nov 30, 2023 | Blind DockingGPU | —Unverified | 0 |
| DSDP: A Blind Docking Strategy Accelerated by GPUs | Mar 16, 2023 | Blind DockingDrug Discovery | —Unverified | 0 |
| Quantum-Inspired Machine Learning for Molecular Docking | Jan 22, 2024 | Blind DockingCombinatorial Optimization | —Unverified | 0 |
| Seq2Bind Webserver for Decoding Binding Hotspots directly from Sequences using Fine-Tuned Protein Language Models | Jun 16, 2025 | Blind Docking | —Unverified | 0 |
| GeoDirDock: Guiding Docking Along Geodesic Paths | Apr 9, 2024 | Blind DockingDenoising | —Unverified | 0 |
