@article{doi:10.1021/acs.jcim.0c00451, author = {Gao, Xiang and Ramezanghorbani, Farhad and Isayev, Olexandr and Smith, Justin S. and Roitberg, Adrian E.}, doi = {10.1021/acs.jcim.0c00451}, eprint = { https://doi.org/10.1021/acs.jcim.0c00451 }, journal = {Journal of Chemical Information and Modeling}, note = {PMID: 32568524}, number = {7}, pages = {3408–3415}, title = {TorchANI: A Free and Open Source PyTorch-Based Deep Learning Implementation of the ANI Neural Network Potentials}, url = {https://doi.org/10.1021/acs.jcim.0c00451}, volume = {60}, year = {2020} }