* Smith JS, Isayev O, Roitberg AE. ANI-1: an extensible neural network potential with DFT accuracy at force field computational cost. Chemical science. 2017;8(4):3192-203.
We are planning a seperate paper for TorchANI, it will be available when we are ready for beta release of TorchANI.
* Gao X, Ramezanghorbani F, Isayev O, Smith JS, Roitberg AE. TorchANI: A Free and Open Source PyTorch Based Deep Learning Implementation of the ANI Neural Network Potentials. [](https://doi.org/10.26434/chemrxiv.12218294.v1)
See also: [isayev/ASE_ANI](https://github.com/isayev/ASE_ANI)