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PypKa: A Flexible Python Module for Poisson-Boltzmann-Based pKa Calculations.
Pedro B. P. S. Reis
Diogo Vila-Viçosa
Walter Rocchia
Miguel Machuqueiro
Published in:
J. Chem. Inf. Model. (2020)
Keyphrases
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open source
artificial intelligence
programming language
closed form
neural network
real world
data mining
information systems
mobile robot
object oriented
software engineering
general purpose
open source software
spherical harmonics
poisson process