PDBscreen with multiple data augmentation strategies suitable for training protein-ligand interaction prediction methods

Name: PDBscreen with multiple data augmentation strategies suitable for training protein-ligand interaction prediction methods
Creator: Mingyue Zheng; Duanhua Cao; Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zuchongzhi Road, Shanghai 201203, China;University of Chinese Academy of Sciences, No. 19A Yuquan Road, Beijing 100049, China;School of Pharmaceutical Science and Technology, Hangzhou Institute for Advanced Study, UCAS, Hangzhou 330106, China; Jiaxin Jiang
Published: 2023-06-17T00:00:00+08:00

Zenodo2023-06-17 更新2026-04-07 收录

蛋白质-配体相互作用

数据增强策略

数据链接：

https://zenodo.org/record/8049379 数据链接链接失效反馈

官方服务：

资源简介：

PDBscreen with multiple data augmentation strategies suitable for training protein-ligand interaction prediction methods. PDBscreen is the training dataset for EquiScore.

提供机构：

Mingyue Zheng; Duanhua Cao; Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zuchongzhi Road, Shanghai 201203, China;University of Chinese Academy of Sciences, No. 19A Yuquan Road, Beijing 100049, China;School of Pharmaceutical Science and Technology, Hangzhou Institute for Advanced Study, UCAS, Hangzhou 330106, China; Jiaxin Jiang

创建时间：

2023-06-17