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ETDock: A Novel Equivariant Transformer for Protein-Ligand Docking
Predicting the docking between proteins and ligands is a crucial and challenging task for drug discovery.
Predicting Protein-Ligand Binding Affinity with Equivariant Line Graph Network
The proposed ELGN firstly adds a super node to the 3D complex, and then builds a line graph based on the 3D complex.
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