equilibrator-assets


Nameequilibrator-assets JSON
Version 0.6.0 PyPI version JSON
download
home_page
SummaryGenerate cache assets from MetaNetX content.
upload_time2024-01-28 10:13:16
maintainer
docs_urlNone
author
requires_python>=3.9
licenseMIT License
keywords component contribution gibbs energy biochemical reaction equilibrator
VCS
bugtrack_url
requirements No requirements were recorded.
Travis-CI No Travis.
coveralls test coverage No coveralls.
            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)
[![Join the chat at https://gitter.im/equilibrator-devs/equilibrator-api](https://badges.gitter.im/Join%20Chat.svg)](https://gitter.im/equilibrator-devs/equilibrator-api?utm_source=badge&utm_medium=badge&utm_campaign=pr-badge&utm_content=badge)

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()`.

            

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