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Update README.md
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puckvg authored Feb 20, 2024
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Expand Up @@ -86,7 +86,7 @@ Digital Discovery, *1*, 286–294 (2022)
* P. van Gerwen, A. Fabrizio, M. Wodrich and C. Corminboeuf,
"Physics-based representations for machine learning properties of chemical reactions",
Machine Learning: Science and Technology, **3**, 045005 (2022)
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)(https://doi.org/10.1088/2632-2153/ac8f1a)
[![DOI]((https://img.shields.io/badge/DOI-10.1088/2632-2153/ac8f1a-blue)])](https://doi.org/10.1088/2632-2153/ac8f1a)


## Acknowledgements [](#contents)
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