| MolCAP: Molecular Chemical reActivity pretraining and prompted-finetuning enhanced molecular representation learning | Jun 13, 2023 | DiversityDrug Discovery | —Unverified | 0 |
| Bi-level Contrastive Learning for Knowledge-Enhanced Molecule Representations | Jun 2, 2023 | Contrastive LearningKnowledge Graphs | —Unverified | 0 |
| Atomic and Subgraph-aware Bilateral Aggregation for Molecular Representation Learning | May 22, 2023 | Molecular Property Predictionmolecular representation | —Unverified | 0 |
| Mol-PECO: a deep learning model to predict human olfactory perception from molecular structures | May 21, 2023 | molecular representationRetrieval | —Unverified | 0 |
| Generation of 3D Molecules in Pockets via Language Model | May 17, 2023 | 3D Molecule GenerationDrug Design | —Unverified | 0 |
| Evaluating the roughness of structure-property relationships using pretrained molecular representations | May 14, 2023 | molecular representationProperty Prediction | —Unverified | 0 |
| Knowledge graph-enhanced molecular contrastive learning with functional prompt | May 4, 2023 | Contrastive LearningDrug Design | —Unverified | 0 |
| HD-Bind: Encoding of Molecular Structure with Low Precision, Hyperdimensional Binary Representations | Mar 27, 2023 | Molecular DockingMolecular Property Prediction | —Unverified | 0 |
| Molecular Property Prediction by Semantic-invariant Contrastive Learning | Mar 13, 2023 | Contrastive LearningDrug Design | —Unverified | 0 |
| Molecular design method based on novel molecular representation and variational auto-encoder | Feb 20, 2023 | molecular representation | —Unverified | 0 |
