Honza-R / PL-REX

Data set of protein-ligand complexes with reliable experimental structures and affinities

Honza-R/PL-REX Issues

the reproduced scores are not the same as those in the dataset
Updated 12 hours ago
Parameters for non-standard residues
Closed 2 months ago2
Total charge of protein used in DFT calculaions.
Closed 3 months ago2