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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 131140 of 691 papers

TitleStatusHype
Pin-Tuning: Parameter-Efficient In-Context Tuning for Few-Shot Molecular Property PredictionCode0
MolCap-Arena: A Comprehensive Captioning Benchmark on Language-Enhanced Molecular Property PredictionCode0
LLaMo: Large Language Model-based Molecular Graph AssistantCode1
LLM4Mat-Bench: Benchmarking Large Language Models for Materials Property PredictionCode1
Subgraph Aggregation for Out-of-Distribution Generalization on GraphsCode0
MAMMAL -- Molecular Aligned Multi-Modal Architecture and LanguageCode1
PepDoRA: A Unified Peptide Language Model via Weight-Decomposed Low-Rank Adaptation0
Contextual Representation Anchor Network to Alleviate Selection Bias in Few-Shot Drug Discovery0
Multi-view biomedical foundation models for molecule-target and property predictionCode1
Homomorphism Counts as Structural Encodings for Graph LearningCode0
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