Dataset of Congruent Inhibitors and Decoys (D-COID)
Description of this data
This dataset contains Rosetta energy-minimized crystal structure of protein-ligand complex and their congruent, property-matched decoys. It was created to serves as a realistic benchmark dataset for tasks in computational drug discovery.
Experiment data files
Cite this dataset
Adeshina, Yusuf; Karanicolas, John (2019), “Dataset of Congruent Inhibitors and Decoys (D-COID)”, Mendeley Data, v1 http://dx.doi.org/10.17632/8czn4rxz68.1
The files associated with this dataset are licensed under a Creative Commons Attribution 4.0 International licence.