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| Composing Molecules with Multiple Property Constraints | Jan 1, 2020 | DiversityDrug Design | —Unverified | 0 | 0 |
| ComPPI, a cellular compartment-specific database for protein-protein interaction network analysis | Jan 13, 2015 | Drug Design | —Unverified | 0 | 0 |
| Computational Analysis for the Rational Design of Anti-Amyloid Beta (ABeta) Antibodies | Feb 22, 2018 | Drug Design | —Unverified | 0 | 0 |
| Computational Explorations in Biomedicine: Unraveling Molecular Dynamics for Cancer, Drug Delivery, and Biomolecular Insights using LAMMPS Simulations | Nov 21, 2023 | Computational EfficiencyDrug Design | —Unverified | 0 | 0 |
| Computing Absolute Free Energy with Deep Generative Models | May 1, 2020 | Drug Design | —Unverified | 0 | 0 |
| Conformal Drug Property Prediction with Density Estimation under Covariate Shift | Oct 18, 2023 | Conformal PredictionDensity Estimation | —Unverified | 0 | 0 |
| Continuous Representation of Molecules Using Graph Variational Autoencoder | Apr 17, 2020 | DecoderDrug Design | —Unverified | 0 | 0 |
| ControlMol: Adding Substructure Control To Molecule Diffusion Models | Apr 22, 2024 | 3D Molecule GenerationDrug Design | —Unverified | 0 | 0 |
| Covering Multiple Objectives with a Small Set of Solutions Using Bayesian Optimization | Jan 31, 2025 | Bayesian OptimizationDrug Design | —Unverified | 0 | 0 |
