| Highly Scalable Tensor Factorization for Prediction of Drug-Protein Interaction Type | Dec 1, 2015 | Drug DesignVocal Bursts Type Prediction | —Unverified | 0 |
| Geometric-informed GFlowNets for Structure-Based Drug Design | Jun 16, 2024 | Drug DesignDrug Discovery | —Unverified | 0 |
| A Graph Completion Method that Jointly Predicts Geometry and Topology Enables Effective Molecule Assembly | May 27, 2025 | DenoisingDrug Design | —Unverified | 0 |
| Hit and Lead Discovery with Explorative RL and Fragment-based Molecule Generation | Oct 4, 2021 | Drug DesignMolecular Docking | —Unverified | 0 |
| Geometric Constraints in Probabilistic Manifolds: A Bridge from Molecular Dynamics to Structured Diffusion Processes | Jul 10, 2023 | DenoisingDrug Design | —Unverified | 0 |
| GenShin:geometry-enhanced structural graph embodies binding pose can better predicting compound-protein interaction affinity | Mar 16, 2025 | Drug DesignDrug Discovery | —Unverified | 0 |
| Genesis: Towards the Automation of Systems Biology Research | Aug 20, 2024 | Drug DesignRelational Reasoning | —Unverified | 0 |
| Covering Multiple Objectives with a Small Set of Solutions Using Bayesian Optimization | Jan 31, 2025 | Bayesian OptimizationDrug Design | —Unverified | 0 |
| GENEOnet: A new machine learning paradigm based on Group Equivariant Non-Expansive Operators. An application to protein pocket detection | Jan 31, 2022 | Drug Design | —Unverified | 0 |
| Antibody DomainBed: Out-of-Distribution Generalization in Therapeutic Protein Design | Jul 15, 2024 | Domain GeneralizationDrug Design | —Unverified | 0 |
