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Multiscale Analysis of the Sustainable Production of 1,3-PDO and 3HP

This repository contains the model, data, and code used for the publication "Multi-scale Exploration of the Technical, Economic, and Environmental Dimensions of Bio-based Chemical Production".

The top level folder contains 9 iPython notebooks. The content are explained in the comments/markups inside each notebook.

  • The folder "cbmTES" contains python files used by the notebooks. These python files mainly contains the LCI data collected as well as price information.
  • The folder "lib" contains some global parameters.
  • The folder "models" contains the metabolic models used for cell level simulations.

Citation: Kai Zhuang and Markus Herrgard. (In Press.) Multi-scale Exploration of the Technical, Economic, and Environmental Dimensions of Bio-based Chemical Production. Metabolic Engineering.

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