Why should you use PypKa?
Electrostatic-driven pKa estimations
Inspect the source code and hack it as you see fit.
DNA, Membrane & Ions
Include background charges in your calculations.
Exploit the linear scaling of pypka by deploying it in your computational cluster.
Reusable & extensible
Integrate it with your own software or scripts.
All parameters used in the calculations are tweackable in the input data.
Are you using PypKa in your research? Please cite:
Reis et al. J Chem Inf Model. 2020
Fork the project on GitHub
Pypka is open source! It's developed and maintained on GitHub so that you can make it your own.
View GitHub Project