.. _running_ampl:

Running AMPL
============

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`AMPL <https://github.com/ATOMScience-org/AMPL>`_ can be run from the command line or by importing into `Python` scripts and `Jupyter notebooks`.
 

Python scripts and Jupyter notebooks
------------------------------------
`AMPL <https://github.com/ATOMScience-org/AMPL>`_ can be used to fit and predict molecular activities and properties by importing the appropriate modules. See the examples for more descriptions on how to fit and make predictions using `AMPL <https://github.com/ATOMScience-org/AMPL>`_.
 


Pipeline parameters (options)
-----------------------------
`AMPL <https://github.com/ATOMScience-org/AMPL>`_ includes many parameters to run various model fitting and prediction tasks.

* Pipeline options (parameters) can be set within JSON files containing a parameter list.
* The parameter list with detailed explanations of each option can be found at `atom/ddm/docs/PARAMETERS.md <Pipeline Params_>`_. 
* Example pipeline JSON files can be found in the tests directory and the example directory.
 

Library documentation
---------------------
`AMPL <https://github.com/ATOMScience-org/AMPL>`_  includes detailed docstrings and comments to explain the modules. Full HTML documentation of the Python library is available with the package at `AMPL modules docs <ampl modules_>`_.
 

More information on AMPL usage
------------------------------
More information on AMPL usage can be found in `Advanced AMPL usage <ampl advanced_>`_.