| FineMolTex: Towards Fine-grained Molecular Graph-Text Pre-training | Sep 21, 2024 | Drug Discoverymolecular representation | —Unverified | 0 |
| Smirk: An Atomically Complete Tokenizer for Molecular Foundation Models | Sep 19, 2024 | DiversityMolecular Property Prediction | —Unverified | 0 |
| Molecular Graph Representation Learning via Structural Similarity Information | Sep 13, 2024 | Graph Representation Learningmolecular representation | CodeCode Available | 0 |
| Mayer-homology learning prediction of protein-ligand binding affinities | Aug 23, 2024 | DescriptiveDrug Design | —Unverified | 0 |
| Active Learning of Molecular Data for Task-Specific Objectives | Aug 20, 2024 | Active LearningGaussian Processes | CodeCode Available | 0 |
| Advancing Molecular Machine Learning Representations with Stereoelectronics-Infused Molecular Graphs | Aug 8, 2024 | Graph Neural NetworkMolecular Property Prediction | —Unverified | 0 |
| GNN-SKAN: Harnessing the Power of SwallowKAN to Advance Molecular Representation Learning with GNNs | Aug 2, 2024 | Computational EfficiencyDrug Design | —Unverified | 0 |
| Technical report: Improving the properties of molecules generated by LIMO | Jul 20, 2024 | Decodermolecular representation | —Unverified | 0 |
| Improving Performance Prediction of Electrolyte Formulations with Transformer-based Molecular Representation Model | Jun 28, 2024 | molecular representationProperty Prediction | —Unverified | 0 |
| Learning Multi-view Molecular Representations with Structured and Unstructured Knowledge | Jun 14, 2024 | Knowledge GraphsMolecular Property Prediction | CodeCode Available | 0 |
