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molecular representation

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Showing 126–150 of 168 papers

TitleStatusHype
Evaluating the roughness of structure-property relationships using pretrained molecular representations—0
Knowledge graph-enhanced molecular contrastive learning with functional prompt—0
HD-Bind: Encoding of Molecular Structure with Low Precision, Hyperdimensional Binary Representations—0
Molecular Property Prediction by Semantic-invariant Contrastive Learning—0
Molecular design method based on novel molecular representation and variational auto-encoder—0
Persistent Dirac for molecular representation—0
Task-Agnostic Graph Neural Network Evaluation via Adversarial CollaborationCode0
MolCPT: Molecule Continuous Prompt Tuning to Generalize Molecular Representation Learning—0
Encrypted machine learning of molecular quantum propertiesCode0
Molecular Joint Representation Learning via Multi-modal Information—0
BatmanNet: Bi-branch Masked Graph Transformer Autoencoder for Molecular RepresentationCode0
A 3D-Shape Similarity-based Contrastive Approach to Molecular Representation Learning—0
Substructure-Atom Cross Attention for Molecular Representation Learning—0
Uni-Mol: A Universal 3D Molecular Representation Learning FrameworkCode0
Does GNN Pretraining Help Molecular Representation?—0
Hyperbolic Molecular Representation Learning for Drug Repositioning—0
Pre-training Transformers for Molecular Property Prediction Using Reaction Prediction—0
3D Graph Contrastive Learning for Molecular Property Prediction—0
Learning multi-scale functional representations of proteins from single-cell microscopy data—0
Associative Learning Mechanism for Drug-Target Interaction Prediction—0
Attention-wise masked graph contrastive learning for predicting molecular property—0
GraphVAMPNet, using graph neural networks and variational approach to markov processes for dynamical modeling of biomolecules—0
Deep Molecular Representation Learning via Fusing Physical and Chemical Information—0
Image-Like Graph Representations for Improved Molecular Property Prediction—0
Multilingual Molecular Representation Learning via Contrastive Pre-training—0
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