/tools/iPPIGAN

iPPIGAN

AspirinCode/iPPIGAN

21 stars6 forksJupyter NotebookAdded February 8, 2026
summary

iPPIGAN is a tool for de novo molecular design that utilizes deep molecular generative models to create inhibitors targeting protein-protein interactions. It includes functionalities for training models and generating novel compounds, contributing to drug discovery efforts.

description

De novo molecular design with deep molecular generative models for protein-protein interaction(PPI) inhibitors

topics

deep-molecular-generative-modelsprotein-protein-interactiondrug-likenessqedqeppippi-inhibitordrug-discoveryppi

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