Papyrus-scripts v1.0
Version 1.0 of the Papyrus-scripts library.
Allows one to:
- download the Papyrus dataset
- convert it from/to XZ to/from GZIP
- match the data to structures of the Protein Data Bank
- create FPSubSim2 (extension of FPSim2) files for similarity and substructure searches
- filter the Papyrus data
- model it with QSAR and PCM models
- remove the data files