| Molecular design method based on novel molecular representation and variational auto-encoder | Feb 20, 2023 | molecular representation | —Unverified | 0 |
| Persistent Dirac for molecular representation | Feb 5, 2023 | Drug Designmolecular representation | —Unverified | 0 |
| Exploring QSAR Models for Activity-Cliff Prediction | Jan 31, 2023 | molecular representationPrediction | CodeCode Available | 1 |
| Task-Agnostic Graph Neural Network Evaluation via Adversarial Collaboration | Jan 27, 2023 | BenchmarkingGraph Classification | CodeCode Available | 0 |
| t-SMILES: A Scalable Fragment-based Molecular Representation Framework for De Novo Molecule Generation | Jan 4, 2023 | Language Modellingmolecular representation | CodeCode Available | 1 |
| 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 |
| BatmanNet: Bi-branch Masked Graph Transformer Autoencoder for Molecular Representation | Nov 25, 2022 | Drug DiscoveryMolecular Property Prediction | CodeCode Available | 0 |
| Molecular Joint Representation Learning via Multi-modal Information | Nov 25, 2022 | Drug DiscoveryGraph Neural Network | —Unverified | 0 |
| A 3D-Shape Similarity-based Contrastive Approach to Molecular Representation Learning | Nov 3, 2022 | Contrastive LearningMolecular Property Prediction | —Unverified | 0 |
