- Made download disclaimer and errors due to low disk space more evident - `papyrus_scripts.utils.IO.process_data_version` <br/>now raises an exception stating <br/>Papyrus data not available (did you download it first?)
1.0.1
The Papyrus++ datasets contained duplicated data wrongly associated to multiple assay types (i.e. Ki, KD, EC50, IC50).
The datasets have been updated and links of this release and of the `db-links` branch have updated accordingly.
1.0
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