SchNet: A continuous-filter convolutional neural network for modeling quantum interactions. - Kristof Schütt; Pieter-Jan Kindermans; Huziel Enoc Sauceda Felix; Stefan Chmiela; Alexandre Tkatchenko; Klaus-Robert Müller (NIPS, 2017)

sGDML: Constructing accurate and data efficient molecular force fields using machine learning. - Stefan Chmiela; Huziel Enoc Sauceda Felix; Igor Poltavsky; Klaus-Robert Müller; Alexandre Tkatchenko (Comput. Phys. Commun., 2019)