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Found 4 papers, 2 papers with code
Uncertainty Quantification for Molecular Property Predictions with Graph Neural Architecture Search
To that end, we introduce AutoGNNUQ, an automated uncertainty quantification (UQ) approach for molecular property prediction.
Convolutional Neural Networks: Basic Concepts and Applications in Manufacturing
We discuss basic concepts of convolutional neural networks (CNNs) and outline uses in manufacturing.
Convolutional Neural Nets in Chemical Engineering: Foundations, Computations, and Applications
CNNs highlight features from the grid data by performing convolution operations with different types of operators.
Graph Neural Network Architecture Search for Molecular Property Prediction
Neural architecture search (NAS) is a promising approach to discover high-performing neural network architectures automatically.
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