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Feat: integration layer with multitfa #9

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@carrascomj carrascomj commented Oct 4, 2022

Description

MultiTFA is a multivariate thermodynamics-based metabolic flux analysis package. It constrains the thermodynamic calculations more tightly by making use of the covariance matrix of formation energies instead of using independent squared standard deviations.

Since it uses equilibrator-api, it also benefits from the wide range of metabolites and databases that equilibrator provides, not being constrained to a thermo DB like pytfa.

Implementation

Two classes had to be inherited from multitfa to make them aware of proteins. The imports were removed from the init in integration to avoid having to install pytfa or multitfa at the same time.

@carrascomj carrascomj changed the title Feat: integration layer with pytfa Feat: integration layer with multitfa Oct 4, 2022
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