xTB_dataset

<p dir="ltr">xTB dataset containing 23327 reactions.</p><p dir="ltr">In the csv file of this dataset:<br>- The ID code of the reaction that enables to group together the reactions with the same reactants<br>- The R number of the reaction<br>- T...

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Bibliographic Details
Main Author: Maxime Ferrer (21033647) (author)
Published: 2025
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