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molecular representation

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Showing 126–150 of 168 papers

TitleStatusHype
Associative Learning Mechanism for Drug-Target Interaction Prediction—0
Learning multi-scale functional representations of proteins from single-cell microscopy data—0
Attention-wise masked graph contrastive learning for predicting molecular property—0
Improving Molecular Representation Learning with Metric Learning-enhanced Optimal TransportCode1
Molecular Representation Learning via Heterogeneous Motif Graph Neural NetworksCode1
GraphVAMPNet, using graph neural networks and variational approach to markov processes for dynamical modeling of biomolecules—0
Molecular Contrastive Learning with Chemical Element Knowledge GraphCode1
Deep Molecular Representation Learning via Fusing Physical and Chemical Information—0
Image-Like Graph Representations for Improved Molecular Property Prediction—0
SSI–DDI: Substructure–Substructure Interactions for Drug–Drug Interaction PredictionCode1
GeomGCL: Geometric Graph Contrastive Learning for Molecular Property PredictionCode1
Multilingual Molecular Representation Learning via Contrastive Pre-training—0
C5T5: Controllable Generation of Organic Molecules with TransformersCode1
Learning Attributed Graph Representations with Communicative Message Passing TransformerCode1
GeoT: A Geometry-aware Transformer for Reliable Molecular Property Prediction and Chemically Interpretable Representation LearningCode0
LiteGEM: Lite Geometry Enhanced Molecular Representation Learning for Quantum Property PredictionCode0
Large-Scale Chemical Language Representations Capture Molecular Structure and PropertiesCode1
ChemRL-GEM: Geometry Enhanced Molecular Representation Learning for Property Prediction—0
JANUS: Parallel Tempered Genetic Algorithm Guided by Deep Neural Networks for Inverse Molecular DesignCode1
Multiresolution Equivariant Graph Variational AutoencoderCode1
HamNet: Conformation-Guided Molecular Representation with Hamiltonian Neural NetworksCode0
Knowledge-aware Contrastive Molecular Graph Learning—0
Molecular Representation Learning by Leveraging Chemical InformationCode0
Few-Shot Graph Learning for Molecular Property PredictionCode1
Conformation-Guided Molecular Representation with Hamiltonian Neural Networks—0
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