Data of "Chemistrees: Data-Driven Identification of Reaction Pathways via Machine Learning" - Daub, Christopher D; Riccardi, Enrico; Roet, Sander (Zenodo, 2021)
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 2021 17 (10), 6193-6202 DOI: 10.1021/acs.jctc.1c00458
Keywords: cc-by-4.0; simulation data