Ligandformer is a self-attention graph neural network framework that predicts compound properties, outputs attention maps for local structural interpretation, and claims improved robustness and generalization over prior methods.
Random forest classifier for remote sensing classification.International journal of remote sensing, 26(1):217–222, 2005
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Ligandformer: A Graph Neural Network for Predicting Compound Property with Robust Interpretation
Ligandformer is a self-attention graph neural network framework that predicts compound properties, outputs attention maps for local structural interpretation, and claims improved robustness and generalization over prior methods.