# **Auto3D**
<a href="https://pypi.org/project/Auto3D/" target="_blank"><img src="https://img.shields.io/badge/pypi-url-informational" alt="pypi_link"></a>
**Auto3D** is a Python package for generating low-energy conformers from SMILES/SDF. Over the development process, we also added the APIs for computing single point energies, optimizing geometries, find stable tautomers. Auto3D can be imported as a Python library, or be excuted from the terminal.
Please check out the information at [**documentation**](https://auto3d.readthedocs.io/en/latest/index.html), including [installation](https://auto3d.readthedocs.io/en/latest/installation.html), [usage](https://auto3d.readthedocs.io/en/latest/usage.html), [API](https://auto3d.readthedocs.io/en/latest/api.html) and [citation](https://auto3d.readthedocs.io/en/latest/citation.html).
- **Jupyter notebook examples** can be found [here](https://github.com/isayevlab/Auto3D_pkg/tree/main/example)
- To-do list for **improvement and new features** can be found [here](https://github.com/isayevlab/Auto3D_pkg/discussions). You are welcomed to share your thoughts.
- Bugs go to the [issues](https://github.com/isayevlab/Auto3D_pkg/issues)
- **AIMNet2**: The default model in Auto3D is AIMNet2 since 2.2.1. If you specify optimizing_engine="AIMNET", it actually uses AIMNet2. The old AIMNet model has been deprecated since Auto3D 2.2.1, and every call to “AIMNET” refers to the AIMNet2 model.
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"author": "'Zhen Liu, Tetiana Zubatiuk, Adrian Roitberg, Olexandr Isayev'",
"author_email": "liu5@andrew.cmu.edu, tetiana@zubatyuk.com, roitberg@ufl.edu, olexandr@olexandrisayev.com",
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