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choderalab / bayesian-itc

Python tools for the analysis and modeling of isothermal titration calorimetry (ITC) experiments.
GNU General Public License v3.0
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Expose initial guesses and uncertainties in models.py through init function arguments #11

Open bas-rustenburg opened 9 years ago

bas-rustenburg commented 9 years ago

There are probably a bunch more parameters that we want to expose to the outside of the BindingModel subclasses. Things like uncertainty estimates for concentrations.

jchodera commented 9 years ago

Which is the current Python file in which changes would be made here?

bas-rustenburg commented 9 years ago

models.py and subsequently add options to parser.py and ITC.py to actually allow setting them from the command line.

jchodera commented 9 years ago

In which directory?

bas-rustenburg commented 9 years ago

python and python/bayesianitc