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molecular representation

Papers

Showing 6170 of 168 papers

TitleStatusHype
Integrating Chemical Language and Molecular Graph in Multimodal Fused Deep Learning for Drug Property Prediction0
AdaMR: Adaptable Molecular Representation for Unified Pre-training Strategy0
MolSets: Molecular Graph Deep Sets Learning for Mixture Property ModelingCode1
MotifPiece: A Data-Driven Approach for Effective Motif Extraction and Molecular Representation LearningCode0
Predictive Chemistry Augmented with Text RetrievalCode1
Improving Self-supervised Molecular Representation Learning using Persistent HomologyCode1
GlycoNMR: Dataset and benchmarks for NMR chemical shift prediction of carbohydrates with graph neural networks0
MultiModal-Learning for Predicting Molecular Properties: A Framework Based on Image and Graph Structures0
Multi-channel learning for integrating structural hierarchies into context-dependent molecular representationCode1
UniMAP: Universal SMILES-Graph Representation LearningCode1
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