chemfp 5.0b2 is out. Get it while it's hot! For Linux:
python -m pip install chemfp==5.0b2 -i
https://chemfp.com/packages/I'm still updating the documentation. See 'What's new in 5.0' at
https://chemfp.com/docs/whats_new_in_50.html* shardsearch - search many target files
* simhistogram - histogram all the scores
* FPB file now handles 1B+ records
* sparse count fingerprints
- new FPC format
- rdkit2fpc to make them with
#RDKit- fpc2fps to convert to binary fps
- fps2fpc for the other way
#cheminformatics
