| FragmentNet: Adaptive Graph Fragmentation for Graph-to-Sequence Molecular Representation Learning | Feb 3, 2025 | Graph-to-SequenceMolecular Property Prediction | —Unverified | 0 |
| BOOM: Benchmarking Out-Of-distribution Molecular Property Predictions of Machine Learning Models | May 3, 2025 | BenchmarkingHyperparameter Optimization | —Unverified | 0 |
| 3D-Mol: A Novel Contrastive Learning Framework for Molecular Property Prediction with 3D Information | Sep 28, 2023 | Contrastive LearningMolecular Property Prediction | —Unverified | 0 |
| 3D Denoisers are Good 2D Teachers: Molecular Pretraining via Denoising and Cross-Modal Distillation | Sep 8, 2023 | DenoisingKnowledge Distillation | —Unverified | 0 |
| FineMolTex: Towards Fine-grained Molecular Graph-Text Pre-training | Sep 21, 2024 | Drug Discoverymolecular representation | —Unverified | 0 |
| GNN-SKAN: Harnessing the Power of SwallowKAN to Advance Molecular Representation Learning with GNNs | Aug 2, 2024 | Computational EfficiencyDrug Design | —Unverified | 0 |
| FARM: Functional Group-Aware Representations for Small Molecules | Oct 2, 2024 | Contrastive LearningDrug Discovery | —Unverified | 0 |
| 3D Graph Contrastive Learning for Molecular Property Prediction | May 31, 2022 | Contrastive LearningMolecular Property Prediction | —Unverified | 0 |
| Explainable Molecular Property Prediction: Aligning Chemical Concepts with Predictions via Language Models | May 25, 2024 | Drug DiscoveryMolecular Property Prediction | —Unverified | 0 |
| Evaluating the roughness of structure-property relationships using pretrained molecular representations | May 14, 2023 | molecular representationProperty Prediction | —Unverified | 0 |
