| GeoT: A Geometry-aware Transformer for Reliable Molecular Property Prediction and Chemically Interpretable Representation Learning | Jun 29, 2021 | Molecular Property Predictionmolecular representation | CodeCode Available | 0 |
| LiteGEM: Lite Geometry Enhanced Molecular Representation Learning for Quantum Property Prediction | Jun 28, 2021 | molecular representationProperty Prediction | —Unverified | 0 |
| ChemRL-GEM: Geometry Enhanced Molecular Representation Learning for Property Prediction | Jun 11, 2021 | Molecular Property Predictionmolecular representation | —Unverified | 0 |
| HamNet: Conformation-Guided Molecular Representation with Hamiltonian Neural Networks | May 8, 2021 | 3D geometrymolecular representation | CodeCode Available | 0 |
| Knowledge-aware Contrastive Molecular Graph Learning | Mar 24, 2021 | Contrastive LearningDrug Discovery | —Unverified | 0 |
| Molecular Representation Learning by Leveraging Chemical Information | Mar 15, 2021 | Drug DesignGraph Property Prediction | —Unverified | 0 |
| Conformation-Guided Molecular Representation with Hamiltonian Neural Networks | Jan 1, 2021 | 3D geometrymolecular representation | —Unverified | 0 |
| Reprogramming Language Models for Molecular Representation Learning | Dec 7, 2020 | Dictionary LearningDomain Adaptation | —Unverified | 0 |
| Directed Graph Attention Neural Network Utilizing 3D Coordinates for Molecular Property Prediction | Dec 1, 2020 | Graph AttentionMolecular Property Prediction | —Unverified | 0 |
| Ollivier persistent Ricci curvature (OPRC) based molecular representation for drug design | Nov 20, 2020 | BIG-bench Machine LearningDrug Design | CodeCode Available | 0 |
