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AUT-574 update #34

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@svevol svevol commented Jan 20, 2021

Adding first version of template notebook for FBA, FVA, and Sampling of targeted exo-metabolomics data

Overview of features

  • Load the cobrapy model from .csv - csv not added, xml,json and from BiGG database added

  • Load the exo-metabolomics rates (.csv) and growth rate data (.csv) - done

  • Constrain the model using the growth rate and uptake/secretion rates - done

  • Perform growth rate estimations using FBA - done

  • Identify constrained reactions (i.e., flux of 0) using FVA - FVA is done. Function that returns the reaction with zero fluxes needed

  • Remove any constrained reactions from the model - TODO

  • Calculate the 95% confidence intervals from Sampling using OptGpSampler - Use sample(model, NUMBER_OF_SAMPLES) (optgp is used as default) to sample, and calculate CI from sampled data

  • Implement unit tests based on an example model and data - TODO

@svevol svevol requested a review from dmccloskey January 20, 2021 18:13
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