| GIT-Mol: A Multi-modal Large Language Model for Molecular Science with Graph, Image, and Text | Aug 14, 2023 | Drug DiscoveryImage Captioning | CodeCode Available | 1 |
| Fractional Denoising for 3D Molecular Pre-training | Jul 20, 2023 | DenoisingDrug Discovery | CodeCode Available | 1 |
| Multimodal Molecular Pretraining via Modality Blending | Jul 12, 2023 | Drug Discoverymolecular representation | —Unverified | 0 |
| Molecular geometric deep learning | Jun 22, 2023 | Deep LearningMolecular Property Prediction | CodeCode Available | 0 |
| MUBen: Benchmarking the Uncertainty of Molecular Representation Models | Jun 14, 2023 | BenchmarkingDrug Discovery | CodeCode Available | 0 |
| MolCAP: Molecular Chemical reActivity pretraining and prompted-finetuning enhanced molecular representation learning | Jun 13, 2023 | DiversityDrug Discovery | —Unverified | 0 |
| Comprehensive evaluation of deep and graph learning on drug-drug interactions prediction | Jun 8, 2023 | Drug DiscoveryGraph Learning | CodeCode Available | 1 |
| 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 |
