semvec/pypi-packages huggingface dataset:
murdock 0.10.12
A molecular docking framework.
License: Apache 2.0
Keywords: molecular docking development framework

Murdock: A Molecular Docking Framework
======================================

Murdock is a Python package for the development and testing of automated
`molecular docking`_ solutions. It has been developed as a convenient and
efficient platform to implement new search algorithms, scoring functions,
multi-step docking workflows and other features on a reliable platform, test
them quickly and use the rich output to analyse advantages, disadvantages and
issues of a new method. In addition, Murdock comes with a set of end-user
scripts and presets, so that it can be used by anyone solemly to obtain
scientific data, for which only a basic knowledge of command-line tools is
required.

.. _molecular docking: http://en.wikipedia.org/wiki/Docking_(molecular)

.. warning::

    The current Murdock version and (especially) its documentation are at an
    alpha stage.

Please refer to the `documentation`_ to get started. Please make use of one of
the `feedback channels`_ to request support, ask a questions, comment on the
software, report a bug, propose a new feature or offer support.

.. _documentation: http://murdock.readthedocs.org/en/latest
.. _feedback channels: http://murdock.readthedocs.org/en/latest/feedback.html