Dataset for "Quantum mechanical dipole moments in the QM7b, 21k molecules of QM9, and MuML showcase datasets"

  • Max Veit (Creator)
  • David Wilkins (Creator)
  • Yang Yang (Creator)
  • Robert A. DiStasio (Creator)
  • Michele Ceriotti (Creator)



Molecular dipole moments of the QM7b dataset, a random sample of 21'000 molecules from the QM9 dataset, and the MuML showcase set (including the four challenge series) described in the linked publication.

Files and data are licensed under the terms of the following license: Creative Commons Attribution 4.0 International.
Metadata, except for email addresses, are licensed under the Creative Commons Attribution Share-Alike 4.0 International license.
Date made available10 Jun 2020
PublisherMaterials Cloud
Date of data production2020

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