| 2DNMRGym: An Annotated Experimental Dataset for Atom-Level Molecular Representation Learning in 2D NMR via Surrogate Supervision | May 16, 2025 | molecular representationRepresentation Learning | CodeCode Available | 0 | 5 |
| Encrypted machine learning of molecular quantum properties | Dec 5, 2022 | Federated Learningmolecular representation | CodeCode Available | 0 | 5 |
| MolMix: A Simple Yet Effective Baseline for Multimodal Molecular Representation Learning | Oct 10, 2024 | molecular representationRepresentation Learning | CodeCode Available | 0 | 5 |
| MotifPiece: A Data-Driven Approach for Effective Motif Extraction and Molecular Representation Learning | Dec 24, 2023 | molecular representationRepresentation Learning | CodeCode Available | 0 | 5 |
| Molecular Representation Learning by Leveraging Chemical Information | Mar 15, 2021 | Drug DesignGraph Property Prediction | CodeCode Available | 0 | 5 |
| Molecular Machine Learning Using Euler Characteristic Transforms | Jul 4, 2025 | molecular representationRepresentation Learning | CodeCode Available | 0 | 5 |
| MoleculeCLA: Rethinking Molecular Benchmark via Computational Ligand-Target Binding Analysis | Jun 13, 2024 | Drug DiscoveryMolecular Property Prediction | CodeCode Available | 0 | 5 |
| Molecular geometric deep learning | Jun 22, 2023 | Deep LearningMolecular Property Prediction | CodeCode Available | 0 | 5 |
| Molecular Graph Representation Learning via Structural Similarity Information | Sep 13, 2024 | Graph Representation Learningmolecular representation | CodeCode Available | 0 | 5 |
| Learning Multi-view Molecular Representations with Structured and Unstructured Knowledge | Jun 14, 2024 | Knowledge GraphsMolecular Property Prediction | CodeCode Available | 0 | 5 |