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Unverified Commit 2febd8bc authored by Farhad Ramezanghorbani's avatar Farhad Ramezanghorbani Committed by GitHub
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TorchANI paper is online! (#494)

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README.md
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# Paper # Citation
TorchANI [Preprint](https://chemrxiv.org/articles/TorchANI_A_Free_and_Open_Source_PyTorch_Based_Deep_Learning_Implementation_of_the_ANI_Neural_Network_Potentials/12218294)
* 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. [![DOI for Citing](https://img.shields.io/badge/DOI-10.26434%2Fchemrxiv.12218294.v1-green.svg)](https://doi.org/10.26434/chemrxiv.12218294.v1) 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, [![DOI for Citing](https://img.shields.io/badge/DOI-10.1021%2Facs.jcim.0c00451-green.svg)](https://doi.org/10.1021/acs.jcim.0c00451)
* Please refer to [isayev/ASE_ANI](https://github.com/isayev/ASE_ANI) for ANI model references.
# ANI model parameters # ANI model parameters
All the ANI model parameters including (ANI2x, ANI1x, and ANI1ccx) are accessible from the following repositories: All the ANI model parameters including (ANI2x, ANI1x, and ANI1ccx) are accessible from the following repositories:
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