Generating valid Euclidean distance matrices. - Moritz Hoffmann 002; Frank Noé (CoRR, 2019)

ReaDDy 2: Fast and flexible software framework for interacting-particle reaction dynamics. - Moritz Hoffmann 002; Christoph Fröhner; Frank Noé (PLoS Comput. Biol., 2019)

An open-source drug discovery platform enables ultra-large virtual screens. - Christoph Gorgulla; Andras Boeszoermenyi; Zifu Wang; Patrick D. Fischer; Paul W. Coote; Krishna M. Padmanabha Das; Yehor S. Malets; Dmytro S. Radchenko; Yurii S. Moroz; David A. Scott; Konstantin Fackeldey; Moritz Hoffmann 002; et al. (Nat., 2020)

Deeptime: a Python library for machine learning dynamical models from time series data. - Moritz Hoffmann 002; Martin Scherer; Tim Hempel; Andreas Mardt; Brian de Silva; Brooke E. Husic; Stefan Klus; Hao Wu 035; J. Nathan Kutz; Steven L. Brunton; Frank Noé (Mach. Learn. Sci. Technol., 2022)

Efficient algorithms for simulation and analysis of many-body systems. - Moritz Hoffmann 002 (2023)