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molecular representation

Papers

Showing 2130 of 168 papers

TitleStatusHype
Improving Self-supervised Molecular Representation Learning using Persistent HomologyCode1
InstructBio: A Large-scale Semi-supervised Learning Paradigm for Biochemical ProblemsCode1
t-SMILES: A Scalable Fragment-based Molecular Representation Framework for De Novo Molecule GenerationCode1
C5T5: Controllable Generation of Organic Molecules with TransformersCode1
Multi-channel learning for integrating structural hierarchies into context-dependent molecular representationCode1
ChemBERTa: Large-Scale Self-Supervised Pretraining for Molecular Property PredictionCode1
GeoMFormer: A General Architecture for Geometric Molecular Representation LearningCode1
GIT-Mol: A Multi-modal Large Language Model for Molecular Science with Graph, Image, and TextCode1
Can Large Language Models Understand Molecules?Code1
Comprehensive evaluation of deep and graph learning on drug-drug interactions predictionCode1
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