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Update README.md
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klausweinbauer authored Dec 16, 2024
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The output is a list of tuples containing the functional group name and the
corresponding atom indices.

## Acknowledgment
This project has received funding from the European Unions Horizon Europe Doctoral Network programme under the Marie-Skłodowska-Curie grant agreement No 101072930 (TACsy -- Training Alliance for Computational)

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