Generating Highly Designable Proteins with Geometric Algebra Flow Matching. - Simon Wagner; Leif Seute; Vsevolod Viliuga; Nicolas Wolf; Frauke Gräter; Jan Stühmer (NeurIPS, 2024)

Grappa - A Machine Learned Molecular Mechanics Force Field. - Leif Seute; Eric Hartmann; Jan Stühmer; Frauke Gräter (CoRR, 2024)

CGsmiles: A Versatile Line Notation for Molecular Representations across Multiple Resolutions. - Fabian Grünewald; Leif Seute; Riccardo Alessandri; Mélanie König; Peter C. Kroon (J. Chem. Inf. Model., 2025)

Learning conformational ensembles of proteins based on backbone geometry. - Nicolas Wolf; Leif Seute; Vsevolod Viliuga; Simon Wagner; Jan Stühmer; Frauke Gräter (CoRR, 2025)