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molecular representation

Papers

Showing 2130 of 168 papers

TitleStatusHype
Comprehensive evaluation of deep and graph learning on drug-drug interactions predictionCode1
FunQG: Molecular Representation Learning Via Quotient GraphsCode1
GIT-Mol: A Multi-modal Large Language Model for Molecular Science with Graph, Image, and TextCode1
C5T5: Controllable Generation of Organic Molecules with TransformersCode1
Self-Supervised Graph Transformer on Large-Scale Molecular DataCode1
ChemBERTa: Large-Scale Self-Supervised Pretraining for Molecular Property PredictionCode1
JANUS: Parallel Tempered Genetic Algorithm Guided by Deep Neural Networks for Inverse Molecular DesignCode1
Learning Attributed Graph Representations with Communicative Message Passing TransformerCode1
Can Large Language Models Understand Molecules?Code1
Large-Scale Chemical Language Representations Capture Molecular Structure and PropertiesCode1
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