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molecular representation

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Showing 151–168 of 168 papers

TitleStatusHype
Multi-View Self-Attention for Interpretable Drug-Target Interaction PredictionCode0
Chemical Language Model Linker: blending text and molecules with modular adaptersCode0
Ollivier persistent Ricci curvature (OPRC) based molecular representation for drug designCode0
Molecular Machine Learning Using Euler Characteristic TransformsCode0
BatmanNet: Bi-branch Masked Graph Transformer Autoencoder for Molecular RepresentationCode0
Physics-Constrained Predictive Molecular Latent Space Discovery with Graph Scattering Variational AutoencoderCode0
Encrypted machine learning of molecular quantum propertiesCode0
Molecular Graph Representation Learning via Structural Similarity InformationCode0
Task-Agnostic Graph Neural Network Evaluation via Adversarial CollaborationCode0
BAPULM: Binding Affinity Prediction using Language ModelsCode0
Active Learning of Molecular Data for Task-Specific ObjectivesCode0
SE3Set: Harnessing equivariant hypergraph neural networks for molecular representation learningCode0
Molecular geometric deep learningCode0
Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical RepresentationsCode0
PACIA: Parameter-Efficient Adapter for Few-Shot Molecular Property PredictionCode0
The Role of Model Architecture and Scale in Predicting Molecular Properties: Insights from Fine-Tuning RoBERTa, BART, and LLaMACode0
Adapting Differential Molecular Representation with Hierarchical Prompts for Multi-label Property PredictionCode0
UniMatch: Universal Matching from Atom to Task for Few-Shot Drug DiscoveryCode0
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