| ChemRL-GEM: Geometry Enhanced Molecular Representation Learning for Property Prediction | Jun 11, 2021 | Molecular Property Predictionmolecular representation | —Unverified | 0 |
| AdaMR: Adaptable Molecular Representation for Unified Pre-training Strategy | Dec 28, 2023 | AttributeMolecular Property Prediction | —Unverified | 0 |
| Geometry-aware Line Graph Transformer Pre-training for Molecular Property Prediction | Sep 1, 2023 | 3D geometryMolecular Property Prediction | —Unverified | 0 |
| A 3D-Shape Similarity-based Contrastive Approach to Molecular Representation Learning | Nov 3, 2022 | Contrastive LearningMolecular Property Prediction | —Unverified | 0 |
| Knowledge-aware contrastive heterogeneous molecular graph learning | Feb 17, 2025 | BenchmarkingContrastive Learning | —Unverified | 0 |
| Knowledge-aware Contrastive Molecular Graph Learning | Mar 24, 2021 | Contrastive LearningDrug Discovery | —Unverified | 0 |
| GenMol: A Drug Discovery Generalist with Discrete Diffusion | Jan 10, 2025 | Computational EfficiencyDrug Discovery | —Unverified | 0 |
| Generative Models for Automatic Chemical Design | Jul 2, 2019 | molecular representation | —Unverified | 0 |
| Can Molecular Evolution Mechanism Enhance Molecular Representation? | Jan 27, 2025 | Molecular Property Predictionmolecular representation | —Unverified | 0 |
| AdaptMol: Adaptive Fusion from Sequence String to Topological Structure for Few-shot Drug Discovery | May 17, 2025 | Drug DiscoveryFew-Shot Learning | —Unverified | 0 |
