CrossDocked2020 dataset

CrossDocked2020 dataset contains 22.5 million poses of ligands docked into multiple similar binding pockets across the Protein Data Bank.

Data and Resources

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The json representation of the dataset with its distributions based on DCAT.
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Nanyang Technological University (2024). Dataset: CrossDocked2020 dataset. https://doi.org/10.57702/wpwsh72g

DOI retrieved: December 2, 2024

Field	Value
Created	December 2, 2024
Last update	December 2, 2024
Defined In	https://doi.org/10.48550/arXiv.2406.00812
Author	Nanyang Technological University
Homepage	https://doi.org/10.1038/s41586-020-2881-4