semvec/pypi-packages huggingface dataset:
equilibrator-assets 0.6.0
Generate cache assets from MetaNetX content.
License: MIT License
Requires Python: >=3.9
Keywords: component contribution,Gibbs energy,biochemical reaction,eQuilibrator

eQuilibrator Assets
===================

[![pipeline status](https://gitlab.com/equilibrator/equilibrator-assets/badges/master/pipeline.svg)](https://gitlab.com/equilibrator/equilibrator-assets)
[![codecov](https://codecov.io/gl/equilibrator/equilibrator-assets/branch/master/graph/badge.svg)](https://codecov.io/gl/equilibrator/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](https://en.wikipedia.org/wiki/International_Chemical_Identifier#InChIKey).

Supported Chemical Databases:
=============================

* [MetaNetX](https://www.metanetx.org/)
* [KEGG](https://www.kegg.jp/)
* [ChEBI](https://www.ebi.ac.uk/chebi/)

External dependencies:
======================

* [*Marvin* (by ChemAxon)](https://chemaxon.com/products/marvin) - 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()`.