Data of "Chemistrees: Data-Driven Identification of Reaction Pathways via Machine Learning"
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This is the data and assosiated in-house code for the paper: Chemistrees: Data-Driven Identification of Reaction Pathways via Machine Learning Sander Roet, Christopher D. Daub, and Enrico Riccardi Journal of Chemical Theory and Computation <strong>2021</strong> <em>17</em> (10), 6193-6202 DOI: 10.1021/acs.jctc.1c00458
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2021-10-12
