metadata
license: mit
tags:
- virtualscreening
All receptor data is prepped for MotifScreen Training. If you need the raw files, please refer to the original data sources. All of the data sources (ChEMBL, PDBbind, BioLip, LIT-PCBA, DUD-E, DEKOIS) are publicly available.
PDBbind and BioLip were solely used for training. ChEMBL-test is our newly presented ChEMBL-LR (leakage-resistant) benchmark set.