Introduction

The ATOM Modeling PipeLine, AMPL, is a Python 3 package.

There are two main ways to use AMPL:

1. Install the AMPL Python package from PyPI, or clone the Git repository for local development.

   To install the released package from PyPI:

   uv pip install atomsci-ampl
   

   To work from a local source checkout instead:

   git clone https://github.com/ATOMScience-org/AMPL.git
   cd AMPL
   

   Please refer to Installation.

2. Install With Docker.