Metadata-Version: 2.1
Name: pyopenms
Version: 3.6.0.dev20260717
Summary: Python wrapper for C++ LC-MS library OpenMS
Keywords: mass spectrometry,proteomics,metabolomics,LC-MS,bioinformatics
Author-Email: The OpenMS team <webmaster@openms.de>
Maintainer-Email: The OpenMS team <open-ms-general@lists.sourceforge.net>
License: BSD-3-Clause
Classifier: Development Status :: 5 - Production/Stable
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: BSD License
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Programming Language :: Python :: 3.13
Classifier: Programming Language :: Python :: 3.14
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Project-URL: Homepage, https://openms.de
Project-URL: Documentation, https://pyopenms.readthedocs.io
Project-URL: Source Code, https://github.com/OpenMS/OpenMS/tree/develop/src/pyOpenMS
Project-URL: Bug Tracker, https://github.com/OpenMS/OpenMS/issues
Project-URL: Documentation Source, https://github.com/OpenMS/pyopenms-docs
Requires-Python: >=3.10
Requires-Dist: numpy>=2.0
Requires-Dist: matplotlib>=3.5
Provides-Extra: dataframes
Requires-Dist: pandas; extra == "dataframes"
Provides-Extra: arrow
Requires-Dist: pyarrow!=24.0.0,!=25.0.0; extra == "arrow"
Provides-Extra: all
Requires-Dist: pandas; extra == "all"
Requires-Dist: pyarrow!=24.0.0,!=25.0.0; extra == "all"
Description-Content-Type: text/x-rst

This package contains Python bindings for a large part of the OpenMS library
for mass spectrometry based proteomics.  It thus provides providing facile
access to a feature-rich, open-source algorithm library for mass-spectrometry
based proteomics analysis. These Python bindings allow raw access to the
data-structures and algorithms implemented in OpenMS, specifically those for
file access (mzXML, mzML, TraML, mzIdentML among others), basic signal
processing (smoothing, filtering, de-isotoping and peak-picking) and complex
data analysis (including label-free, SILAC, iTRAQ and SWATH analysis tools).

You can install pyopenms using::

  pip install pyopenms

Please see https://pyopenms.readthedocs.io/en/latest/index.html for more information.

