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| Chemical Language Model Linker: blending text and molecules with modular adapters | Oct 26, 2024 | Language ModelingLanguage Modelling | 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 Machine Learning Using Euler Characteristic Transforms | Jul 4, 2025 | molecular representationRepresentation Learning | CodeCode Available | 0 |
| BatmanNet: Bi-branch Masked Graph Transformer Autoencoder for Molecular Representation | Nov 25, 2022 | Drug DiscoveryMolecular Property Prediction | CodeCode Available | 0 |
| Physics-Constrained Predictive Molecular Latent Space Discovery with Graph Scattering Variational Autoencoder | Sep 29, 2020 | Drug Discoverymolecular representation | CodeCode Available | 0 |
| Encrypted machine learning of molecular quantum properties | Dec 5, 2022 | Federated Learningmolecular representation | CodeCode Available | 0 |
| Molecular Graph Representation Learning via Structural Similarity Information | Sep 13, 2024 | Graph Representation Learningmolecular representation | CodeCode Available | 0 |
| Task-Agnostic Graph Neural Network Evaluation via Adversarial Collaboration | Jan 27, 2023 | BenchmarkingGraph Classification | CodeCode Available | 0 |
| BAPULM: Binding Affinity Prediction using Language Models | Nov 6, 2024 | Drug Discoverymolecular representation | CodeCode Available | 0 |
