Published June 17, 2023
| Version version1
Dataset
Open
PDBscreen with multiple data augmentation strategies suitable for training protein-ligand interaction prediction methods
- 1. Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang 310058, China;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
- 2. 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
- 3. 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
Description
PDBscreen with multiple data augmentation strategies suitable for training protein-ligand interaction prediction methods.
PDBscreen is the training dataset for EquiScore.
Files
Files
(6.2 GB)
| Name | Size | Download all |
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md5:9c4a8e8965387875c4082dc8d723a306
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6.2 GB | Download |