| BatmanNet: Bi-branch Masked Graph Transformer Autoencoder for Molecular Representation | Nov 25, 2022 | Drug DiscoveryMolecular Property Prediction | CodeCode Available | 0 |
| Molecular Representation Learning by Leveraging Chemical Information | Mar 15, 2021 | Drug DesignGraph Property Prediction | CodeCode Available | 0 |
| Molecular Machine Learning Using Euler Characteristic Transforms | Jul 4, 2025 | molecular representationRepresentation Learning | CodeCode Available | 0 |
| Molecular Graph Representation Learning via Structural Similarity Information | Sep 13, 2024 | Graph Representation Learningmolecular representation | CodeCode Available | 0 |
| Multi-View Self-Attention for Interpretable Drug-Target Interaction Prediction | May 1, 2020 | BIG-bench Machine LearningDrug Discovery | CodeCode Available | 0 |
| BAPULM: Binding Affinity Prediction using Language Models | Nov 6, 2024 | Drug Discoverymolecular representation | CodeCode Available | 0 |
| Ollivier persistent Ricci curvature (OPRC) based molecular representation for drug design | Nov 20, 2020 | BIG-bench Machine LearningDrug Design | CodeCode Available | 0 |
| Molecular geometric deep learning | Jun 22, 2023 | Deep LearningMolecular Property Prediction | CodeCode Available | 0 |
| Encrypted machine learning of molecular quantum properties | Dec 5, 2022 | Federated Learningmolecular representation | CodeCode Available | 0 |
| Physics-Constrained Predictive Molecular Latent Space Discovery with Graph Scattering Variational Autoencoder | Sep 29, 2020 | Drug Discoverymolecular representation | CodeCode Available | 0 |
| Task-Agnostic Graph Neural Network Evaluation via Adversarial Collaboration | Jan 27, 2023 | BenchmarkingGraph Classification | CodeCode Available | 0 |
| LiteGEM: Lite Geometry Enhanced Molecular Representation Learning for Quantum Property Prediction | Jun 28, 2021 | molecular representationProperty Prediction | CodeCode Available | 0 |
| UniMatch: Universal Matching from Atom to Task for Few-Shot Drug Discovery | Feb 18, 2025 | Drug DiscoveryFew-Shot Learning | CodeCode Available | 0 |
| Adapting Differential Molecular Representation with Hierarchical Prompts for Multi-label Property Prediction | May 29, 2024 | Drug Discoverymolecular representation | CodeCode Available | 0 |
| The Role of Model Architecture and Scale in Predicting Molecular Properties: Insights from Fine-Tuning RoBERTa, BART, and LLaMA | May 2, 2024 | BenchmarkingDrug Discovery | CodeCode Available | 0 |
| SE3Set: Harnessing equivariant hypergraph neural networks for molecular representation learning | May 26, 2024 | Computational chemistrymolecular representation | CodeCode Available | 0 |
| Learning Multi-view Molecular Representations with Structured and Unstructured Knowledge | Jun 14, 2024 | Knowledge GraphsMolecular Property Prediction | CodeCode Available | 0 |
| Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations | Nov 19, 2018 | Machine Translationmolecular representation | CodeCode Available | 0 |