| Uni-QSAR: an Auto-ML Tool for Molecular Property Prediction | Apr 24, 2023 | Drug DiscoveryModel Selection | CodeCode Available | 3 | 5 |
| A Systematic Survey of Chemical Pre-trained Models | Oct 29, 2022 | Drug Designmolecular representation | CodeCode Available | 2 | 5 |
| Multi-Modal Representation Learning for Molecular Property Prediction: Sequence, Graph, Geometry | Jan 7, 2024 | Data AugmentationDrug Discovery | CodeCode Available | 2 | 5 |
| Analyzing Learned Molecular Representations for Property Prediction | Apr 2, 2019 | Molecular Property Predictionmolecular representation | CodeCode Available | 2 | 5 |
| One Transformer Can Understand Both 2D & 3D Molecular Data | Oct 4, 2022 | Graph Regressionmolecular representation | CodeCode Available | 2 | 5 |
| Comprehensive evaluation of deep and graph learning on drug-drug interactions prediction | Jun 8, 2023 | Drug DiscoveryGraph Learning | CodeCode Available | 1 | 5 |
| Atomas: Hierarchical Alignment on Molecule-Text for Unified Molecule Understanding and Generation | Apr 23, 2024 | Drug Discoverymolecular representation | CodeCode Available | 1 | 5 |
| Large-Scale Chemical Language Representations Capture Molecular Structure and Properties | Jun 17, 2021 | Drug DiscoveryMolecular Property Prediction | CodeCode Available | 1 | 5 |
| ChemBERTa: Large-Scale Self-Supervised Pretraining for Molecular Property Prediction | Oct 19, 2020 | Molecular Property Predictionmolecular representation | CodeCode Available | 1 | 5 |
| Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs | Jul 18, 2022 | 3D geometrymolecular representation | CodeCode Available | 1 | 5 |
