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Property Prediction

Property prediction involves forecasting or estimating a molecule's inherent physical and chemical properties based on information derived from its structural characteristics. It facilitates high-throughput evaluation of an extensive array of molecular properties, enabling the virtual screening of compounds. Additionally, it provides the means to predict the unknown attributes of new molecules, thereby bolstering research efficiency and reducing development times.

Papers

Showing 4150 of 691 papers

TitleStatusHype
MOL-Mamba: Enhancing Molecular Representation with Structural & Electronic InsightsCode1
PepMNet: a hybrid deep learning model for predicting peptide properties using hierarchical graph representationsCode1
Graph Neural Networks Need Cluster-Normalize-Activate ModulesCode1
LLaMo: Large Language Model-based Molecular Graph AssistantCode1
LLM4Mat-Bench: Benchmarking Large Language Models for Materials Property PredictionCode1
MAMMAL -- Molecular Aligned Multi-Modal Architecture and LanguageCode1
Multi-view biomedical foundation models for molecule-target and property predictionCode1
Publishing Neural Networks in Drug Discovery Might Compromise Training Data PrivacyCode1
Upsampling DINOv2 features for unsupervised vision tasks and weakly supervised materials segmentationCode1
FragNet: A Graph Neural Network for Molecular Property Prediction with Four Levels of InterpretabilityCode1
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