mms-fcul / PypKa

A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism
https://pypka.readthedocs.io/en/latest/
GNU Lesser General Public License v3.0
56 stars 10 forks source link

major refactoring; updated docs; formatted with isort & black; #10

Closed pedrishi closed 3 years ago