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molecular representation

Papers

Showing 7180 of 168 papers

TitleStatusHype
2DNMRGym: An Annotated Experimental Dataset for Atom-Level Molecular Representation Learning in 2D NMR via Surrogate SupervisionCode0
Encrypted machine learning of molecular quantum propertiesCode0
Ollivier persistent Ricci curvature (OPRC) based molecular representation for drug designCode0
MoleculeCLA: Rethinking Molecular Benchmark via Computational Ligand-Target Binding AnalysisCode0
MolMix: A Simple Yet Effective Baseline for Multimodal Molecular Representation LearningCode0
Molecular Graph Representation Learning via Structural Similarity InformationCode0
Molecular Machine Learning Using Euler Characteristic TransformsCode0
PACIA: Parameter-Efficient Adapter for Few-Shot Molecular Property PredictionCode0
Molecular geometric deep learningCode0
HamNet: Conformation-Guided Molecular Representation with Hamiltonian Neural NetworksCode0
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