/tools/PharmacoNet

PharmacoNet

SeonghwanSeo/PharmacoNet

87 stars11 forksPythonWebsiteAdded February 4, 2026
summary

PharmacoNet is an open-source tool for protein-based pharmacophore modeling that utilizes deep learning for ultra-large-scale virtual screening. It automates the evaluation of ligands and supports feature extraction for deep learning applications in drug discovery.

description

Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)

topics

deep-learningdrug-discoveryinstance-segmentationmachine-learningpharmacophore-modellingvirtual-screeningpharmacophore

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