Data of "Chemistrees: Data-Driven Identification of Reaction Pathways via Machine Learning"

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dc.contributor.affiliationNorwegian University of Science and Technology - Roet, Sander
dc.contributor.affiliationUniversity of Helsinki - Daub, Christopher D
dc.contributor.affiliationUniversity of Oslo - Riccardi, Enrico
dc.contributor.authorRoet, Sander
dc.contributor.authorDaub, Christopher D
dc.contributor.authorRiccardi, Enrico
dc.date.accessioned2025-03-24T15:19:00Z
dc.date.issued2021-09-24
dc.date.issued2021-09-24
dc.descriptionThis 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
dc.identifierhttps://doi.org/10.5281/zenodo.5565039
dc.identifier.urihttps://hydatakatalogi-test-24.it.helsinki.fi/handle/123456789/10328
dc.rightsOpen
dc.rights.licensecc-by-4.0
dc.subjectsimulation data
dc.titleData of "Chemistrees: Data-Driven Identification of Reaction Pathways via Machine Learning"
dc.typedataset
dc.typedataset

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