China University of Petroleum (East China)

A national research university in Qingdao built around petroleum and petrochemical science, and broadening into chemistry, computing, and engineering.

Location: Qingdao, China

Website

2 models(2 Small molecule, 1 Protein)

Models (2)

GENiPPI

Yonsei University / Hunan University / China University of Petroleum (East China) / Yunnan Normal University / University of Chinese Academy of Sciences / University of Tsukuba / Lanzhou University

Released October 10, 2023

——21

Conditional GAN that generates small molecules against a protein-protein interaction interface, encoding the complex with graph attention networks.

Small moleculeProtein

iPPIGAN

Yonsei University / Bioinformatics and Molecular Design Research Center / Shanghai Jiao Tong University / Soongsil University / China University of Petroleum (East China) / University of Turbat

Released July 14, 2022

——23

Shape-based generative model for protein-protein interaction inhibitors, growing new SMILES from the 3D voxel features of a seed compound.

Small molecule

Academic