| Assay2Mol: large language model-based drug design using BioAssay context | Jul 16, 2025 | DescriptiveDrug Design | CodeCode Available | 0 | 5 |
| Fréchet ChemNet Distance: A metric for generative models for molecules in drug discovery | Mar 26, 2018 | Drug DesignDrug Discovery | CodeCode Available | 0 | 5 |
| Multi-Objective De Novo Drug Design with Conditional Graph Generative Model | Jan 18, 2018 | Drug Designvalid | CodeCode Available | 0 | 5 |
| A Deep Generative Model for Fragment-Based Molecule Generation | Feb 28, 2020 | Drug DesignLanguage Modeling | CodeCode Available | 0 | 5 |
| Molecular Graph Contrastive Learning with Line Graph | Jan 15, 2025 | AttributeContrastive Learning | CodeCode Available | 0 | 5 |
| M2oE: Multimodal Collaborative Expert Peptide Model | Nov 20, 2024 | Drug Designmodel | CodeCode Available | 0 | 5 |
| Learning MDL logic programs from noisy data | Aug 18, 2023 | Drug DesignInductive logic programming | CodeCode Available | 0 | 5 |
| Equivalent Distance Geometry Error for Molecular Conformation Comparison | Nov 13, 2021 | Drug Design | CodeCode Available | 0 | 5 |
| EquiBoost: An Equivariant Boosting Approach to Molecular Conformation Generation | Jan 9, 2025 | DiversityDrug Design | CodeCode Available | 0 | 5 |
| Large Language Models for Controllable Multi-property Multi-objective Molecule Optimization | May 29, 2025 | Drug Design | CodeCode Available | 0 | 5 |
| Learning big logical rules by joining small rules | Jan 29, 2024 | Drug DesignInductive logic programming | CodeCode Available | 0 | 5 |
| Mol-MoE: Training Preference-Guided Routers for Molecule Generation | Feb 8, 2025 | BenchmarkingDrug Design | CodeCode Available | 0 | 5 |
| Image-Conditioned Graph Generation for Road Network Extraction | Oct 31, 2019 | Drug DesignGraph Generation | CodeCode Available | 0 | 5 |
| Empirical Evidence for the Fragment level Understanding on Drug Molecular Structure of LLMs | Jan 15, 2024 | Drug DesignDrug Discovery | CodeCode Available | 0 | 5 |
| From Theory to Therapy: Reframing SBDD Model Evaluation via Practical Metrics | Jun 13, 2024 | Drug DesignDrug Discovery | CodeCode Available | 0 | 5 |
| ClaPIM: Scalable Sequence CLAssification using Processing-In-Memory | Feb 16, 2023 | ClassificationDrug Design | CodeCode Available | 0 | 5 |
| Guided Multi-objective Generative AI to Enhance Structure-based Drug Design | May 20, 2024 | Drug DesignDrug Discovery | CodeCode Available | 0 | 5 |
| A Comparative Analysis of the Ensemble Methods for Drug Design | Dec 11, 2020 | Drug DesignDrug Discovery | CodeCode Available | 0 | 5 |
| Insights into performance evaluation of com-pound-protein interaction prediction methods | Jan 28, 2022 | Drug Design | CodeCode Available | 0 | 5 |
| GEO-Nav: a geometric dataset of voltage-gated sodium channels | Jun 21, 2023 | Drug DesignMorphological Analysis | CodeCode Available | 0 | 5 |
| GGL-PPI: Geometric Graph Learning to Predict Mutation-Induced Binding Free Energy Changes | Sep 23, 2023 | Drug DesignDrug Discovery | CodeCode Available | 0 | 5 |
| DrugGen enhances drug discovery with large language models and reinforcement learning | Apr 18, 2025 | Drug DesignDrug Discovery | CodeCode Available | 0 | 5 |
| Dr-COVID: Graph Neural Networks for SARS-CoV-2 Drug Repurposing | Dec 3, 2020 | Drug DesignGraph Neural Network | CodeCode Available | 0 | 5 |
| DP-Fast MH: Private, Fast, and Accurate Metropolis-Hastings for Large-Scale Bayesian Inference | Mar 10, 2023 | Bayesian InferenceDrug Design | CodeCode Available | 0 | 5 |
| CASTER: Predicting Drug Interactions with Chemical Substructure Representation | Nov 15, 2019 | Dictionary LearningDrug Design | CodeCode Available | 0 | 5 |
