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ModelSEED / ModelSEEDDatabase

This repository contains the definitive copy of the biochemistry and metadata used to construct models using the ModelSEED/ProbAnno approach
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Thermodynamics data (v2.5 equilibrator_api) #169

Closed samseaver closed 4 years ago

samseaver commented 4 years ago

Because of the uncertainty surrounding the use of the updated api and the underlying compound database in quilt over the summer, the equilibrator team released a joint public version of the api and the data that works together, and I updated the code slightly and re-ran the scripts.

The end-product is that roughly ~200 reactions were excluded because of updated structures, and roughly 180 reactions had their reversibility affected, but all in all, this is the most up-to-date, matches better with the equilibrator project, and will be the last version before submitting the paper.

samseaver commented 4 years ago

Merging. The validation error says there's new duplicate InChIs but this work didn't involve adding any new compounds or structures, so it's likely something happened with the validation itself