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molecular representation

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Showing 151–168 of 168 papers

TitleStatusHype
BatmanNet: Bi-branch Masked Graph Transformer Autoencoder for Molecular RepresentationCode0
Molecular Representation Learning by Leveraging Chemical InformationCode0
Molecular Machine Learning Using Euler Characteristic TransformsCode0
Molecular Graph Representation Learning via Structural Similarity InformationCode0
Multi-View Self-Attention for Interpretable Drug-Target Interaction PredictionCode0
BAPULM: Binding Affinity Prediction using Language ModelsCode0
Ollivier persistent Ricci curvature (OPRC) based molecular representation for drug designCode0
Molecular geometric deep learningCode0
Encrypted machine learning of molecular quantum propertiesCode0
Physics-Constrained Predictive Molecular Latent Space Discovery with Graph Scattering Variational AutoencoderCode0
Task-Agnostic Graph Neural Network Evaluation via Adversarial CollaborationCode0
LiteGEM: Lite Geometry Enhanced Molecular Representation Learning for Quantum Property PredictionCode0
UniMatch: Universal Matching from Atom to Task for Few-Shot Drug DiscoveryCode0
Adapting Differential Molecular Representation with Hierarchical Prompts for Multi-label Property PredictionCode0
The Role of Model Architecture and Scale in Predicting Molecular Properties: Insights from Fine-Tuning RoBERTa, BART, and LLaMACode0
SE3Set: Harnessing equivariant hypergraph neural networks for molecular representation learningCode0
Learning Multi-view Molecular Representations with Structured and Unstructured KnowledgeCode0
Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical RepresentationsCode0
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