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Index of reactions, reactants, and products

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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

Funding

Battery Interface Genome - Materials Acceleration Platform

European Commission

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Novo Nordisk Foundation (SURE, NNF19OC0057822)

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Related publications (DOI or link to DTU Orbit, DTU Findit)

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