Citation

Auto3D is published at Journal of Chemical Information and Modeling: “Auto3D: Automatic Generation of the Low-Energy 3D Structures with ANI Neural Network Potentials”. https://doi.org/10.1021/acs.jcim.2c00817

If you used Auto3D for your research, we would appreciate it if the following paper is cited:

Cite Auto3D

@article{
    liu2022auto3d,
    title={Auto3d: Automatic generation of the low-energy 3d structures with ANI neural network potentials},
    author={Liu, Zhen and Zubatiuk, Tetiana and Roitberg, Adrian and Isayev, Olexandr},
    journal={Journal of Chemical Information and Modeling},
    volume={62},
    number={22},
    pages={5373--5382},
    year={2022},
    publisher={ACS Publications}
}

Cite AIMNet2

If you used AIMNET for your research, we would appreciate it if the following paper is cited:

@article{anstine2023aimnet2,
  title={AIMNet2: A Neural Network Potential to Meet your Neutral, Charged, Organic, and Elemental-Organic Needs},
  author={Anstine, Dylan and Zubatyuk, Roman and Isayev, Olexandr},
  year={2023}
}

Cite ANI-2x

If you used ANI2x for your research, we would appreciate it if the following paper is cited:

@article{devereux2020extending,
  title={Extending the applicability of the ANI deep learning molecular potential to sulfur and halogens},
  author={Devereux, Christian and Smith, Justin S and Huddleston, Kate K and Barros, Kipton and Zubatyuk, Roman and Isayev, Olexandr and Roitberg, Adrian E},
  journal={Journal of Chemical Theory and Computation},
  volume={16},
  number={7},
  pages={4192--4202},
  year={2020},
  publisher={ACS Publications}
}

Cite ANI-2xt

If you used ANI2xt for your research, we would appreciate it if the following paper is cited:

@article{
    liu2022auto3d,
    title={Auto3d: Automatic generation of the low-energy 3d structures with ANI neural network potentials},
    author={Liu, Zhen and Zubatiuk, Tetiana and Roitberg, Adrian and Isayev, Olexandr},
    journal={Journal of Chemical Information and Modeling},
    volume={62},
    number={22},
    pages={5373--5382},
    year={2022},
    publisher={ACS Publications}
}