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reactions.csv (3.3 GB)
Index of reactions, reactants, and products
datasetposted on 2022-09-08, 07:48 authored by Surajit Nandi, Tejs VeggeTejs Vegge, Arghya BhowmikArghya Bhowmik
This csv file contains the indices of the molecules of the QM9 dataset and a unique index of each of the reactions derived from it.
This item is part of the collection MultiXC-QM9 with DOI: 10.11583/DTU.c.6185986
Novo Nordisk Foundation (SURE, NNF19OC0057822)
Battery Interface Genome - Materials Acceleration Platform
European CommissionFind out more...