biosimulators-gillespy2 0.1.37
BioSimulators-compliant command-line interface to the GillesPy2 simulation program.
License: MIT

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BioSimulators-GillesPy2
=======================

BioSimulators-compliant command-line interface and Docker image for the
`GillesPy2 <https://stochss.github.io/GillesPy2>`__ simulation program.

This command-line interface and Docker image enable users to use
GillesPy2 to execute `COMBINE/OMEX
archives <https://combinearchive.org/>`__ that describe one or more
simulation experiments (in `SED-ML format <https://sed-ml.org>`__) of
one or more models (in `SBML format <http://sbml.org]>`__).

A list of the algorithms and algorithm parameters supported by GillesPy2
is available at
`BioSimulators <https://biosimulators.org/simulators/gillespy2>`__.

A simple web application and web service for using GillesPy2 to execute
COMBINE/OMEX archives is also available at
`runBioSimulations <https://run.biosimulations.org>`__.

Installation
------------

Dependencies
~~~~~~~~~~~~

-  Python >= 3.7
-  pip
-  build-essential

Install Python package
~~~~~~~~~~~~~~~~~~~~~~

::

   pip install biosimulators-gillespy2

Install Docker image
~~~~~~~~~~~~~~~~~~~~

::

   docker pull ghcr.io/biosimulators/gillespy2

Usage
-----

Local usage
~~~~~~~~~~~

::

   usage: biosimulators-gillespy2 [-h] [-d] [-q] -i ARCHIVE [-o OUT_DIR] [-v]

   BioSimulators-compliant command-line interface to the GillesPy2 <https://stochss.github.io/GillesPy2> simulation program.

   optional arguments:
     -h, --help            show this help message and exit
     -d, --debug           full application debug mode
     -q, --quiet           suppress all console output
     -i ARCHIVE, --archive ARCHIVE
                           Path to OMEX file which contains one or more SED-ML-
                           encoded simulation experiments
     -o OUT_DIR, --out-dir OUT_DIR
                           Directory to save outputs
     -v, --version         show program's version number and exit

Usage through Docker container
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

The entrypoint to the Docker image supports the same command-line
interface described above.

For example, the following command could be used to use the Docker image
to execute the COMBINE/OMEX archive ``./modeling-study.omex`` and save
its outputs to ``./``.

::

   docker run \
     --tty \
     --rm \
     --mount type=bind,source="$(pwd)",target=/root/in,readonly \
     --mount type=bind,source="$(pwd)",target=/root/out \
     ghcr.io/biosimulators/gillespy2:latest \
       -i /root/in/modeling-study.omex \
       -o /root/out

Documentation
-------------

Documentation is available at
https://docs.biosimulators.org/Biosimulators_GillesPy2/.

License
-------

This package is released under the `MIT <LICENSE>`__.

Development team
----------------

This package was developed by the `Karr Lab <https://www.karrlab.org>`__
at the Icahn School of Medicine at Mount Sinai and the `Center for
Reproducible Biomedical Modeling <https://reproduciblebiomodels.org/>`__
with assistance from the contributors listed `here <CONTRIBUTORS.md>`__.

Questions and comments
----------------------

Please contact the `BioSimulators
Team <mailto:info@biosimulators.org>`__ with any questions or comments.

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   :target: https://github.com/biosimulators/Biosimulators_GillesPy2/actions?query=workflow%3A%22Continuous+integration%22
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   :target: https://codecov.io/gh/biosimulators/Biosimulators_GillesPy2
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