Metadata-Version: 2.1
Name: equilibrator-cache
Version: 0.5.4
Summary: Cache application for compounds, reactions, and enzymes
Home-page: https://gitlab.com/equilibrator/equilibrator-cache
Download-URL: https://pypi.org/project/equilibrator-cache/
Author: Elad Noor, Moritz E. Beber
Author-email: eladn@weizmann.ac.il, midnighter@posteo.net
License: MIT
Project-URL: Source Code, https://gitlab.com/equilibrator/equilibrator-cache
Project-URL: Bug Tracker, https://gitlab.com/equilibrator/equilibrator-cache/-/issues
Keywords: component contribution,Gibbs energy,biochemical reaction,eQuilibrator,cache
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Natural Language :: English
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Requires-Python: >=3.9
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: sqlalchemy <1.4,>=1.3
Requires-Dist: numpy >=1.13
Requires-Dist: pandas >=1.5
Requires-Dist: Levenshtein ~=0.21
Requires-Dist: pint ~=0.22
Requires-Dist: periodictable ~=1.5
Requires-Dist: httpx ~=0.24
Requires-Dist: requests ~=2.31
Requires-Dist: tenacity ~=6.3
Requires-Dist: tqdm ~=4.0
Requires-Dist: appdirs ~=1.4
Provides-Extra: deployment
Requires-Dist: click ; extra == 'deployment'
Requires-Dist: click-log ; extra == 'deployment'
Requires-Dist: openbabel ; extra == 'deployment'
Requires-Dist: python-dateutil ; extra == 'deployment'
Provides-Extra: development
Requires-Dist: black ; extra == 'development'
Requires-Dist: isort ; extra == 'development'
Requires-Dist: flake8 ; extra == 'development'
Requires-Dist: safety ; extra == 'development'
Requires-Dist: tox ; extra == 'development'
Requires-Dist: twine ; extra == 'development'
Provides-Extra: test
Requires-Dist: pytest ; extra == 'test'
Requires-Dist: pytest-cov ; extra == 'test'
Requires-Dist: pytest-raises ; extra == 'test'
Requires-Dist: pytest-mock ; extra == 'test'
Requires-Dist: hypothesis ; extra == 'test'

equilibrator-cache
==================

[![pipeline status](https://gitlab.com/elad.noor/equilibrator-cache/badges/develop/pipeline.svg)](https://gitlab.com/elad.noor/equilibrator-cache/commits/develop)

[![codecov](https://codecov.io/gl/equilibrator/equilibrator-cache/branch/develop/graph/badge.svg?token=OxxaCqgaLs)](https://codecov.io/gl/equilibrator/equilibrator-cache)

[![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.
All compounds stored in equilibrator-cache 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/)

