elementary_mode_based_FBA_rationale

Code that uses Elementary Conversion Mode computation to obtain all relevant conversions for a constraint-based optimisation problem, i.e., all possible optimal yields between the constrained nutrients and the objective function.

Installation

Creating a EM_based_FBA_rationale environment from a environment.yml file

Open a conda command prompt in elevated mode and change the directory to where EM_based_FBA_rationale.yml is located. Then run the following code: conda env create -f EM_based_FBA_rationale.yml, which will create a conda environment for you.

Activate your new environment with conda activate EM_based_FBA_rationale

Pip only install for necessary packages without Anaconda

pip install -r requirements.txt

Contact details:

Eunice van Pelt-Kleinjan: [email protected]

Daan de Groot: [email protected]