Metadata-Version: 2.0
Name: alchemtest
Version: 0.1.0
Summary: the simple alchemistry test set
Home-page: UNKNOWN
Author: David Dotson
Author-email: dotsdl@gmail.com
License: BSD
Platform: UNKNOWN
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: BSD License
Classifier: Programming Language :: Python
Classifier: Topic :: Scientific/Engineering
Requires-Dist: scikit-learn

alchemtest: the simple alchemistry test set
===========================================

**Warning**: This library is young. It is **not** API stable. It is a
nucleation point. By all means use and help improve it, but note that it will
change with time.

**alchemtest**  is a collection of test datasets for alchemical free energy calculations.
The datasets come from a variety of software packages, primarily molecular
dynamics engines, and are used as the test set for `alchemlyb`_.
The package is standalone, however, and can be used for any purpose.

.. _`alchemlyb`: https://github.com/alchemistry/alchemlyb


