Density artefacts at interfaces caused by multiple time-step effects in molecular dynamics simulations. - Dominik Sidler; Marc Lehner; Simon Frasch; Michael Cristófol-Clough; Sereina Riniker (F1000Research, 2018)

DASH: Dynamic Attention-Based Substructure Hierarchy for Partial Charge Assignment. - Marc Lehner; Paul Katzberger; Niels Maeder; Carl C. G. Schiebroek; Jakob Teetz; Gregory A. Landrum; Sereina Riniker (J. Chem. Inf. Model., 2023)

lwreg: A Lightweight System for Chemical Registration and Data Storage. - Gregory A. Landrum; Jessica Braun; Paul Katzberger; Marc Lehner; Sereina Riniker (J. Chem. Inf. Model., 2024)