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molecular representation

Papers

Showing 8190 of 168 papers

TitleStatusHype
Ollivier persistent Ricci curvature (OPRC) based molecular representation for drug designCode0
Molecular Graph Representation Learning via Structural Similarity InformationCode0
Active Learning of Molecular Data for Task-Specific ObjectivesCode0
Synergistic Benefits of Joint Molecule Generation and Property Prediction0
Uni-Mol: A Universal 3D Molecular Representation Learning Framework0
Substructure-Atom Cross Attention for Molecular Representation Learning0
3D Denoisers are Good 2D Teachers: Molecular Pretraining via Denoising and Cross-Modal Distillation0
3D Graph Contrastive Learning for Molecular Property Prediction0
3D-Mol: A Novel Contrastive Learning Framework for Molecular Property Prediction with 3D Information0
A 3D-Shape Similarity-based Contrastive Approach to Molecular Representation Learning0
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