/tools/MolDesigner-Public

MolDesigner-Public

kexinhuang12345/MolDesigner-Public

16 stars5 forksPythonWebsiteAdded February 5, 2026
summary

MolDesigner is an interactive web interface that helps drug developers design efficacious drugs using deep learning predictions. It allows users to input drug molecules and receive real-time predictions on important indices related to drug efficacy, facilitating iterative design.

description

MolDesigner: Interactive Design of Efficacious Drugs with Deep Learning (NeurIPS 2020 Demo)

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