| E3STO: Orbital Inspired SE(3)-Equivariant Molecular Representation for Electron Density Prediction | Oct 8, 2024 | molecular representationPrediction | —Unverified | 0 |
| An Equivariant Pretrained Transformer for Unified 3D Molecular Representation Learning | Feb 20, 2024 | DenoisingDrug Discovery | —Unverified | 0 |
| Evaluating the roughness of structure-property relationships using pretrained molecular representations | May 14, 2023 | molecular representationProperty Prediction | —Unverified | 0 |
| Explainable Molecular Property Prediction: Aligning Chemical Concepts with Predictions via Language Models | May 25, 2024 | Drug DiscoveryMolecular Property Prediction | —Unverified | 0 |
| FARM: Functional Group-Aware Representations for Small Molecules | Oct 2, 2024 | Contrastive LearningDrug Discovery | —Unverified | 0 |
| FineMolTex: Towards Fine-grained Molecular Graph-Text Pre-training | Sep 21, 2024 | Drug Discoverymolecular representation | —Unverified | 0 |
| FragmentNet: Adaptive Graph Fragmentation for Graph-to-Sequence Molecular Representation Learning | Feb 3, 2025 | Graph-to-SequenceMolecular Property Prediction | —Unverified | 0 |
| Generative Models for Automatic Chemical Design | Jul 2, 2019 | molecular representation | —Unverified | 0 |
| GenMol: A Drug Discovery Generalist with Discrete Diffusion | Jan 10, 2025 | Computational EfficiencyDrug Discovery | —Unverified | 0 |
| Geometry-aware Line Graph Transformer Pre-training for Molecular Property Prediction | Sep 1, 2023 | 3D geometryMolecular Property Prediction | —Unverified | 0 |
