CUE

CUE: Customizable Unbiased dataset for the Evaluation of protein structure based computational methods

Download prepared version CUE

We provide the datasets of typical parameter sets

The dataset contains filtered target structure PDBs, active and inactive ligands in sdf format

You can also make your dataset by changing these parameters

For more details and the description of these parameters, please see the help page.

active IC50(μM) inactive IC50(μM) resolution (Å) coverage E-value target count active count (unique) inactive count (unique) Download link
Default <=1 >=50 <=2.5 >=0.8 >=1e-10 268 25,258
(24,979)		 9,331
(8,699)
Loosened <=10 >=30 <=3.0 >=0.7 >=1e-15 431 48,469
(47,241)		 16,666
(15,462)