FingerPrint Kit - Python-based cheminformatics package for fingerprint-related tasks.
Support for molecular fingerprint types implemented in the cinfony cheminformatics toolkit was added in the current version.
Just place anywhere in your PYTHONPATH
, or update your PYTHONPATH
to include the fpkit
folder.
See usage tips in the example iPyNotebook.
If you use FPKit in your research, please cite our work: Rácz et al. J. Cheminformatics 10:48, 2018
If you use the Check-All-That-Apply (CATA) workflow, please cite the corresponding work: Gere et al. Foods 10(5):1123, 2021