Lv4
640 积分 2025-12-26 加入
Multimodal out-of-distribution individual uncertainty quantification enhances binding affinity prediction for polypharmacology
2天前
已完结
CatTSunami: Accelerating Transition State Energy Calculations with Pretrained Graph Neural Networks
1个月前
已完结
Machine Learning Transition State Geometries and Applications in Reaction Property Prediction
1个月前
已完结
Towards multimodal foundation models in molecular cell biology
1个月前
已完结
NNKcat: deep neural network to predict catalytic constants (Kcat) by integrating protein sequence and substrate structure with enhanced data imbalance handling
3个月前
已完结
A novel interpretability framework for enzyme turnover number prediction boosted by pre-trained enzyme embeddings and adaptive gate network
3个月前
已完结
ADKcat: Enhanced Enzyme Turnover Number Prediction with Adaptive Data Augmentation and Dual Information Exploration
3个月前
已完结
TCNeKP: A Novel Deep Learning Architecture for Enzyme Catalytic Activity Prediction
3个月前
已完结
PreTKcat: A pre-trained representation learning and machine learning framework for predicting enzyme turnover number
4个月前
已完结
Molecular graph-based invariant representation learning with environmental inference and subgraph generation for out-of-distribution generalization
4个月前
已完结
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