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Generate cache assets from MetaNetX content.

Project description

eQuilibrator Assets

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A database application for caching data used by eQuilibrator and related projects. Stored data includes compound names, structures, protonation state information, reaction and enzyme info, and cross-references to other databases. The majority of compounds stored in equilibrator-assets are cross-referenced using InChIKey.

Supported Chemical Databases:

External dependencies:

  • Marvin (by ChemAxon) - get a license and install it on your system. Make sure that the command cxcalc is in the shell PATH as it is called directly using subprocess.run().

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