| Persistent Dirac for molecular representation | Feb 5, 2023 | Drug Designmolecular representation | —Unverified | 0 |
| Task-Agnostic Graph Neural Network Evaluation via Adversarial Collaboration | Jan 27, 2023 | BenchmarkingGraph Classification | CodeCode Available | 0 |
| MolCPT: Molecule Continuous Prompt Tuning to Generalize Molecular Representation Learning | Dec 20, 2022 | Molecular Property Predictionmolecular representation | —Unverified | 0 |
| Encrypted machine learning of molecular quantum properties | Dec 5, 2022 | Federated Learningmolecular representation | CodeCode Available | 0 |
| Molecular Joint Representation Learning via Multi-modal Information | Nov 25, 2022 | Drug DiscoveryGraph Neural Network | —Unverified | 0 |
| BatmanNet: Bi-branch Masked Graph Transformer Autoencoder for Molecular Representation | Nov 25, 2022 | Drug DiscoveryMolecular Property Prediction | CodeCode Available | 0 |
| A 3D-Shape Similarity-based Contrastive Approach to Molecular Representation Learning | Nov 3, 2022 | Contrastive LearningMolecular Property Prediction | —Unverified | 0 |
| Substructure-Atom Cross Attention for Molecular Representation Learning | Oct 15, 2022 | Drug DiscoveryGraph Neural Network | —Unverified | 0 |
| Uni-Mol: A Universal 3D Molecular Representation Learning Framework | Sep 8, 2022 | 3D geometry3D Geometry Prediction | —Unverified | 0 |
| Does GNN Pretraining Help Molecular Representation? | Jul 13, 2022 | Drug Discoverymolecular representation | —Unverified | 0 |