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A SEAMM plugin for TorchANI, an ML model reproducing DFT and CC results

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molssi-seamm/torchani_step

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SEAMM TorchANI Plug-in

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A SEAMM plug-in for TorchANI

Features

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Acknowledgements

This package was created with the molssi-seamm/cookiecutter-seamm-plugin tool, which is based on the excellent Cookiecutter.

Developed by the Molecular Sciences Software Institute (MolSSI), which receives funding from the National Science Foundation under award CHE-2136142.