QML is a Python2/3-compatible toolkit for representation learning of properties of molecules and solids.
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" https://github.com/qmlcode/qml
Documentation and installation instruction is found at: http://www.qmlcode.org/
QML is freely available under the terms of the MIT license.