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Clean_dataframe_balanced_all_data_ccharppi_28_march_2020_complete.csv
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94.45Mb
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Data for the main paper
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DatasetKAUST Department
Catalysis centerDate
2021-01-19Permanent link to this record
http://hdl.handle.net/10754/666938
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This is the most complete and diverse protein docking decoys set derived from the Benchmark5. We used three different rigid-body docking programs to generate the decoys. We analyzed these docking decoys with more than 150 different scoring functions from different sources ( CCharppi, FreeSASA, CIPS, CONSRANK). This version of the dataset is balanced with the raw values from the scoring functions. This data is intended for the training of Machine learning algorithms.Citation
Barradas Bautista, D., Oliva, R., & Cavallo, L. (2021). Protein-protein benchmark5 decoys balanced dataset [Data set]. KAUST Research Repository. https://doi.org/10.25781/KAUST-19659Sponsors
KAUST AI initiativePublisher
KAUST Research Repositoryae974a485f413a2113503eed53cd6c53
10.25781/KAUST-19659
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