Rewrite the metabolite matching

Porthmeus / MeMoMe

Metabolic Model Merging - a semiautomated way to merge genome scale metabolic models

Apache License 2.0

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Closed Porthmeus closed 2 weeks ago

Porthmeus commented 9 months ago

I am not satisfied with the output of the metabolite matching algorithm. Currently it is a very wide table, but I want it in a longer format.

Porthmeus commented 3 months ago

Another issue - currently the charge difference is calculated on the inchis instead of the actual charges given by the model. This should be changed.