Dataset · Hugging Face

andreasburger/rgd1-xtb

Name: rgd1-xtb
Creator: andreasburger
Keywords: region:us

Reupload for convience: RGD1 xTB-level IRCs (RGD1_xTB-IRCs.zip) 760,615 elementary reactions https://engineering.purdue.edu/savoiegroup/data+code.html https://www.nature.com/articles/s41597-023-02043-z

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Author / organization	andreasburger
Downloads	166 (as reported by Hugging Face)
Likes	0
Created	18 July 2025
Last updated at source	18 July 2025

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