Published February 10, 2024
| Version v1
Dataset
Open
[Dataset] crossdocked_pocket10
Authors/Creators
Description
This is the data including crossdocked_pocket10 and related data for traning and testing. Data is organized as pairs of target pocket (protein pocket structure & binding site) and referenced molecule.
Files
crossdocked_pocket10.zip
Additional details
References
- Francoeur, P. G., Masuda, T., Sunseri, J., Jia, A., Iovanisci, R. B., Snyder, I., and Koes, D. R. Three-dimensional convolutional neural networks and a cross-docked data set for structure-based drug design. Journal of Chemical Information and Modeling, 60(9):4200–4215, 2020.