@@ -65,7 +65,9 @@ To run the tests and examples, you must manually download a data package
Please cite the following paper if you use TorchANI
* Xiang Gao, Farhad Ramezanghorbani, Olexandr Isayev, Justin S. Smith, and Adrian E. Roitberg. *TorchANI: A Free and Open Source PyTorch Based Deep Learning Implementation of the ANI Neural Network Potentials*. Journal of Chemical Information and Modeling Just Accepted Manuscript, [](https://doi.org/10.1021/acs.jcim.0c00451)
* Xiang Gao, Farhad Ramezanghorbani, Olexandr Isayev, Justin S. Smith, and Adrian E. Roitberg. *TorchANI: A Free and Open Source PyTorch Based Deep Learning Implementation of the ANI Neural Network Potentials*. Journal of Chemical Information and Modeling 2020 60 (7), 3408-3415, [](https://doi.org/10.1021/acs.jcim.0c00451)