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molecular representation

Papers

Showing 8190 of 168 papers

TitleStatusHype
Molecular geometric deep learningCode0
Encrypted machine learning of molecular quantum propertiesCode0
Physics-Constrained Predictive Molecular Latent Space Discovery with Graph Scattering Variational AutoencoderCode0
Active Learning of Molecular Data for Task-Specific ObjectivesCode0
Chemical Language Model Linker: blending text and molecules with modular adaptersCode0
2DNMRGym: An Annotated Experimental Dataset for Atom-Level Molecular Representation Learning in 2D NMR via Surrogate SupervisionCode0
Task-Agnostic Graph Neural Network Evaluation via Adversarial CollaborationCode0
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
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