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QML: A Python Toolkit for Quantum Machine Learning

Build Status doi doi

QML is a Python2/3-compatible toolkit for representation learning of properties of molecules and solids.

Current list of contributors:

  • Anders S. Christensen (University of Basel)
  • Felix A. Faber (University of Basel)
  • Bing Huang (University of Basel)
  • Lars A. Bratholm (University of Copenhagen)
  • Alexandre Tkatchenko (University of Luxembourg)
  • Klaus-Robert Muller (Technische Universitat Berlin/Korea University)
  • O. Anatole von Lilienfeld (University of Basel)

1) Citing QML:

Until the preprint is available from arXiv, please cite this GitHub repository as:

AS Christensen, LA Bratholm, FA Faber, B Huang, A Tkatchenko, KR Muller, OA von Lilienfeld (2017) "QML: A Python Toolkit for Quantum Machine Learning"

2) Get help:

Documentation and installation instruction is found at:

3) License:

QML is freely available under the terms of the MIT license.