/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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