Metadata-Version: 2.1
Name: aalto-boss
Version: 1.15.1
Summary: Bayesian optimization structure search
Home-page: https://gitlab.com/cest-group/boss
Author: Yuhao Zhang, Ville Parkkinen, Henri Paulamaki, Arttu Tolvanen, Ulpu Remes, Nuutti Sten, Emma Lehto, Mikael Granit, Manuel Kuchelmeister, Tatu Linnala, Tuomas Rossi, Ransell Dsouza, Matthias Stosiek, Armi Tiihonen, Joakim Loefgren, Milica Todorovic, 
Maintainer: The BOSS developers team
Maintainer-email: milica.todorovic@utu.fi
License: Apache License 2.0
Classifier: Development Status :: 5 - Production/Stable
Classifier: Operating System :: OS Independent
Classifier: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering :: Artificial Intelligence
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Topic :: Scientific/Engineering :: Mathematics
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: License :: OSI Approved :: Apache Software License
Requires-Python: >=3.10
Description-Content-Type: text/x-rst
License-File: LICENSE
Requires-Dist: numpy>=1.20
Requires-Dist: GPy>=1.13.1
Requires-Dist: scipy>=1.8
Requires-Dist: matplotlib<3.9,>=3.5
Provides-Extra: benchmark
Requires-Dist: sqlalchemy; extra == "benchmark"

BOSS
=========
`Bayesian Optimization Structure Search (BOSS) <https://sites.utu.fi/boss/>`_ is a general-purpose Bayesian Optimization code. It is designed to facilitate machine learning in computational and experimental natural sciences. See `research examples <https://sites.utu.fi/boss/research/>`_ for various applications of BOSS.

For a more detailed description of the code and tutorials, please consult the `user guide <https://cest-group.gitlab.io/boss>`_.

Installation
------------
BOSS is distributed as a PyPI package and can be installed using pip::

    python3 -m pip install aalto-boss

We recommend installing BOSS inside a virtual environment (``venv``, ``conda``...). If you are not using virtual environments, we recommend performing a user-installation instead::

    python3 -m pip install --user aalto-boss

Further instructions are provided in the user guide `installation <https://cest-group.gitlab.io/boss/installation.html>`_ section.

Usage
-----------
`Tutorials to get you started are available in our user guide <https://cest-group.gitlab.io/boss/tutorials.html>`_. Detailed descriptions of how BOSS operates are available in the `manual <https://cest-group.gitlab.io/boss/manual.html>`_.

Credits
-------
BOSS is under active development in the `Materials Informatics Laboratory` at the University of Turku and the `Computational Electronic Structure Theory (CEST) group <http://cest.aalto.fi/>`_ at Aalto University. For the full list of authors see `BOSS people  <https://sites.utu.fi/boss/people/>`_.


If you wish to use BOSS in your research, please use the `citation <https://sites.utu.fi/boss/about/>`_.


Issues and feature requests
---------------------------
It is strongly encouraged to submit bug reports, questions, and feature requests via the
`gitlab issue tracker <https://gitlab.com/cest-group/boss/issues>`_.
The BOSS development team can be contacted by email at milica.todorovic@utu.fi
