| InstructBio: A Large-scale Semi-supervised Learning Paradigm for Biochemical Problems | Apr 8, 2023 | molecular representationRepresentation Learning | CodeCode Available | 1 | 5 |
| Improving Self-supervised Molecular Representation Learning using Persistent Homology | Nov 29, 2023 | Molecular Property Predictionmolecular representation | CodeCode Available | 1 | 5 |
| Exploring QSAR Models for Activity-Cliff Prediction | Jan 31, 2023 | molecular representationPrediction | CodeCode Available | 1 | 5 |
| MolTailor: Tailoring Chemical Molecular Representation to Specific Tasks via Text Prompts | Jan 21, 2024 | Drug DiscoveryLanguage Modeling | CodeCode Available | 1 | 5 |
| Learning Molecular Representation in a Cell | Jun 17, 2024 | Molecular Property Predictionmolecular representation | CodeCode Available | 1 | 5 |
| Learning Attributed Graph Representations with Communicative Message Passing Transformer | Jul 19, 2021 | Inductive Biasmolecular representation | CodeCode Available | 1 | 5 |
| Fractional Denoising for 3D Molecular Pre-training | Jul 20, 2023 | DenoisingDrug Discovery | CodeCode Available | 1 | 5 |
| t-SMILES: A Scalable Fragment-based Molecular Representation Framework for De Novo Molecule Generation | Jan 4, 2023 | Language Modellingmolecular representation | CodeCode Available | 1 | 5 |
| C5T5: Controllable Generation of Organic Molecules with Transformers | Aug 23, 2021 | Drug Discoverymolecular representation | CodeCode Available | 1 | 5 |
| Molecule-Morphology Contrastive Pretraining for Transferable Molecular Representation | Apr 27, 2023 | Molecular Property Predictionmolecular representation | CodeCode Available | 1 | 5 |
