| Graph-augmented Convolutional Networks on Drug-Drug Interactions Prediction | Dec 8, 2019 | Drug DesignDrug Discovery | —Unverified | 0 |
| Graph-convolution neural network-based flexible docking utilizing coarse-grained distance matrix | Aug 27, 2020 | Drug DesignPrediction | —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 |
| ControlMol: Adding Substructure Control To Molecule Diffusion Models | Apr 22, 2024 | 3D Molecule GenerationDrug Design | —Unverified | 0 |
| Continuous Representation of Molecules Using Graph Variational Autoencoder | Apr 17, 2020 | DecoderDrug Design | —Unverified | 0 |
| Happy People -- Image Synthesis as Black-Box Optimization Problem in the Discrete Latent Space of Deep Generative Models | Jun 11, 2023 | Drug DesignImage Generation | —Unverified | 0 |
| From Byte to Bench to Bedside: Molecular Dynamics Simulations and Drug Discovery | Nov 28, 2023 | Drug DesignDrug Discovery | —Unverified | 0 |
