| 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. | |