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molecular representation

Papers

Showing 131140 of 168 papers

TitleStatusHype
Revealing the Relationship Between Publication Bias and Chemical Reactivity with Contrastive Learning0
GNN-SKAN: Harnessing the Power of SwallowKAN to Advance Molecular Representation Learning with GNNs0
Synergistic Fusion of Graph and Transformer Features for Enhanced Molecular Property Prediction0
Technical report: Improving the properties of molecules generated by LIMO0
GlycoNMR: Dataset and benchmarks for NMR chemical shift prediction of carbohydrates with graph neural networks0
Tokenizing 3D Molecule Structure with Quantized Spherical Coordinates0
Towards Interpretable Sparse Graph Representation Learning with Laplacian Pooling0
TRIDENT: Tri-Modal Molecular Representation Learning with Taxonomic Annotations and Local Correspondence0
UniCorn: A Unified Contrastive Learning Approach for Multi-view Molecular Representation Learning0
Multimodal Molecular Pretraining via Modality Blending0
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