| Towards Interpretable Sparse Graph Representation Learning with Laplacian Pooling | May 28, 2019 | Drug DesignDrug Discovery | —Unverified | 0 |
| Hybrid quantum-classical machine learning for generative chemistry and drug design | Aug 26, 2021 | Drug DesignDrug Discovery | —Unverified | 0 |
| TransDiffSBDD: Causality-Aware Multi-Modal Structure-Based Drug Design | Mar 26, 2025 | Drug DesignDrug Discovery | —Unverified | 0 |
| Transfer Learning for Bayesian Optimization: A Survey | Feb 12, 2023 | Bayesian OptimizationDrug Design | —Unverified | 0 |
| Transformative Machine Learning | Nov 8, 2018 | BIG-bench Machine LearningDrug Design | —Unverified | 0 |
| Two for the Price of One: Integrating Large Language Models to Learn Biophysical Interactions | Mar 26, 2025 | Computational EfficiencyDrug Design | —Unverified | 0 |
| Understanding of Genetic Code Degeneracy and New Way of Classifying of Protein Family: A Mathematical Approach | Nov 30, 2015 | Drug Design | —Unverified | 0 |
| Understanding Protein Dynamics with L1-Regularized Reversible Hidden Markov Models | May 6, 2014 | Distributed ComputingDrug Design | —Unverified | 0 |
| Unified Guidance for Geometry-Conditioned Molecular Generation | Jan 5, 2025 | Drug Design | —Unverified | 0 |
| Synergistic Benefits of Joint Molecule Generation and Property Prediction | Apr 23, 2025 | Drug Designmolecular representation | —Unverified | 0 |
