/tools/SIGN
agave233/SIGN
The SIGN repository provides an implementation of a structure-aware interactive graph neural network designed to predict protein-ligand binding affinity. It includes preprocessing steps for datasets like PDBbind and CSAR-HiQ, making it a valuable tool for researchers in molecular property prediction.
Official implementation of 'Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity' (KDD 2021)
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