/tools/onionnet
onionnet
zhenglz/onionnet
83 stars42 forksPythonAdded February 8, 2026
summary
OnionNet is a deep learning model designed to predict protein-ligand binding affinities based on inter-molecular contact features. It can also be used for re-scoring docking results, making it a valuable tool in drug discovery and molecular design.
description
A multiple-layer inter-molecular contact features based deep neural network for protein-ligand binding affinity prediction
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