Data of "Chemistrees: Data-Driven Identification of Reaction Pathways via Machine Learning"
dc.contributor.affiliation | Norwegian University of Science and Technology - Roet, Sander | |
dc.contributor.affiliation | University of Helsinki - Daub, Christopher D | |
dc.contributor.affiliation | University of Oslo - Riccardi, Enrico | |
dc.contributor.author | Roet, Sander | |
dc.contributor.author | Daub, Christopher D | |
dc.contributor.author | Riccardi, Enrico | |
dc.date.accessioned | 2025-03-24T15:19:00Z | |
dc.date.issued | 2021-09-24 | |
dc.date.issued | 2021-09-24 | |
dc.description | 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 | |
dc.identifier | https://doi.org/10.5281/zenodo.5565039 | |
dc.identifier.uri | https://hydatakatalogi-test-24.it.helsinki.fi/handle/123456789/10328 | |
dc.rights | Open | |
dc.rights.license | cc-by-4.0 | |
dc.subject | simulation data | |
dc.title | Data of "Chemistrees: Data-Driven Identification of Reaction Pathways via Machine Learning" | |
dc.type | dataset | |
dc.type | dataset |