data for the paper on resolving pKa of coupled residues, JCC, 2024
cphmd -> contains lambda values with error as a function of ph
propka -> contains propka output for 3bdc (with alt coupling) and 1p5f
toy.ipynb -> contains toy system from paper
alchemy.ipynb -> contains ddG values from paper and coupling calculation implementation
cphmd.ipynb -> contains curve fitting scripts