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Published 20 hours ago • verified publisher icon agave233
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Official implementation of 'Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity' (KDD 2021)

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Testing SIGN on CSAR and new data

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Hi, In the paper, SIGN was tested on the PDBBind 2016 and CSAR, but I can't find any codes related to CSAR in the respository. Can you provide a script...

NECCCCCCC avatar NECCCCCCC

[Documentation Request] Provide guidance on using trained model in README

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Hello, thank you for providing source code for such an interesting application! As a user it would be helpful to see some documentation or examples describing how to use the...

erikedlund avatar erikedlund

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verified publisher icon agave233

Metadata

Official implementation of 'Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity' (KDD 2021)

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