https://github.com/molmod/molmod
MolMod is a collection of molecular modelling tools for python.
https://github.com/molmod/molmod
Last synced: 8 months ago
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MolMod is a collection of molecular modelling tools for python.
- Host: GitHub
- URL: https://github.com/molmod/molmod
- Owner: molmod
- License: gpl-3.0
- Created: 2012-06-05T03:54:49.000Z (about 14 years ago)
- Default Branch: master
- Last Pushed: 2024-02-21T11:14:13.000Z (over 2 years ago)
- Last Synced: 2025-10-21T20:57:07.367Z (8 months ago)
- Language: Python
- Homepage: http://molmod.github.io/molmod
- Size: 8.66 MB
- Stars: 60
- Watchers: 6
- Forks: 22
- Open Issues: 11
-
Metadata Files:
- Readme: README.rst
- License: LICENSE.txt
Awesome Lists containing this project
README
.. image:: https://travis-ci.org/molmod/molmod.svg?branch=master
:target: https://travis-ci.org/molmod/molmod
.. image:: https://anaconda.org/molmod/molmod/badges/version.svg
:target: https://anaconda.org/molmod/molmod
.. image:: https://codecov.io/gh/molmod/molmod/branch/master/graph/badge.svg
:target: https://codecov.io/gh/molmod/molmod
MolMod is a collection of molecular modelling tools for python. It is used by other
software developed at the CMM, including Yaff, TAMkin and Zeobuilder.
More information about MolMod can be found on the CMM Code website:
http://molmod.ugent.be/software
MolMod is distributed as open source software under the conditions of the GPL
license version 3. Read the file COPYING for more details, or visit
http://www.gnu.org/licenses/
Installation
============
MolMod can be installed with pip (system wide or in a virtual environment):
.. code:: bash
pip install Cython numpy
pip install molmod
Alternatively, you can install MolMod in your home directory:
.. code:: bash
pip install Cython numpy --user
pip install molmod --user
Lastly, you can also install MolMod with conda. (See
https://www.continuum.io/downloads)
.. code:: bash
# Using the builds from Travis-CI ...
conda install -c molmod molmod
# ... or using the packages on conda-force
conda install -c conda-forge molmod
Testing
=======
The tests can be executed as follows:
.. code:: bash
pytest molmod