Metadata-Version: 2.1
Name: equilibrator-cache
Version: 0.6.1
Summary: Cache application for compounds, reactions, and enzymes
Author: Elad Noor, Moritz E. Beber
License: MIT License
Project-URL: repository, https://gitlab.com/equilibrator/equilibrator-cache/
Project-URL: documentation, https://equilibrator.readthedocs.io/en/latest/
Keywords: component contribution,Gibbs energy,biochemical reaction,eQuilibrator,cache
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Chemistry
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
Requires-Python: >=3.9
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: sqlalchemy~=2.0
Requires-Dist: numpy>=2.0
Requires-Dist: scipy>=1.12
Requires-Dist: pandas>=2.0
Requires-Dist: pyarrow~=17.0
Requires-Dist: Levenshtein~=0.25
Requires-Dist: pint~=0.24
Requires-Dist: tqdm~=4.0
Requires-Dist: appdirs~=1.4
Requires-Dist: pooch~=1.8
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"
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: deployment
Requires-Dist: click; extra == "deployment"
Requires-Dist: click-log; extra == "deployment"
Requires-Dist: openbabel; extra == "deployment"
Requires-Dist: python-dateutil; extra == "deployment"

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

[![PyPI version](https://badge.fury.io/py/equilibrator-cache.svg)](https://badge.fury.io/py/equilibrator-cache)
[![Anaconda-Server Badge](https://anaconda.org/conda-forge/equilibrator-cache/badges/version.svg)](https://anaconda.org/conda-forge/equilibrator-cache)
[![Python version](https://img.shields.io/pypi/pyversions/equilibrator-cache.svg)](https://www.python.org/downloads)
[![MIT license](https://img.shields.io/pypi/l/equilibrator-cache.svg)](https://mit-license.org/)

[![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 our Google group](https://img.shields.io/badge/google_group-equilibrator_users-blue)](https://groups.google.com/g/equilibrator-users)
[![Documentation Status](https://readthedocs.org/projects/equilibrator/badge/?version=latest)](https://equilibrator.readthedocs.io/en/latest/?badge=latest)

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/)

