| Molecular design method based on novel molecular representation and variational auto-encoder | Feb 20, 2023 | molecular representation | —Unverified | 0 | 0 |
| Molecular Joint Representation Learning via Multi-modal Information | Nov 25, 2022 | Drug DiscoveryGraph Neural Network | —Unverified | 0 | 0 |
| Molecular Property Prediction by Semantic-invariant Contrastive Learning | Mar 13, 2023 | Contrastive LearningDrug Design | —Unverified | 0 | 0 |
| Molecular Representation Learning by Leveraging Chemical Information | Mar 15, 2021 | Drug DesignGraph Property Prediction | —Unverified | 0 | 0 |
| MolGraph-xLSTM: A graph-based dual-level xLSTM framework with multi-head mixture-of-experts for enhanced molecular representation and interpretability | Jan 30, 2025 | Drug DiscoveryMixture-of-Experts | —Unverified | 0 | 0 |
| Mol-PECO: a deep learning model to predict human olfactory perception from molecular structures | May 21, 2023 | molecular representationRetrieval | —Unverified | 0 | 0 |
| MultiModal-Learning for Predicting Molecular Properties: A Framework Based on Image and Graph Structures | Nov 28, 2023 | Drug DiscoveryGraph Neural Network | —Unverified | 0 | 0 |
| Multi-Modal Molecular Representation Learning via Structure Awareness | May 9, 2025 | Drug Discoverymolecular representation | —Unverified | 0 | 0 |
| Neural networks and kernel ridge regression for excited states dynamics of CH_2NH_2^+: From single-state to multi-state representations and multi-property machine learning models | Dec 18, 2019 | BIG-bench Machine Learningmolecular representation | —Unverified | 0 | 0 |
| Persistent Dirac for molecular representation | Feb 5, 2023 | Drug Designmolecular representation | —Unverified | 0 | 0 |
