Uncertainty Estimation for Molecules: Desiderata and Methods. - Tom Wollschläger; Nicholas Gao; Bertrand Charpentier; Mohamed Amine Ketata; Stephan Günnemann (ICML, 2023)

DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models. - Mohamed Amine Ketata; Cedrik Laue; Ruslan Mammadov; Hannes Stärk; Menghua Wu; Gabriele Corso; Céline Marquet; Regina Barzilay; Tommi S. Jaakkola (CoRR, 2023)

Lift Your Molecules: Molecular Graph Generation in Latent Euclidean Space. - Mohamed Amine Ketata; Nicholas Gao; Johanna Sommer; Tom Wollschläger; Stephan Günnemann (ICLR, 2025)

Joint Relational Database Generation via Graph-Conditional Diffusion Models. - Mohamed Amine Ketata; David Lüdke; Leo Schwinn; Stephan Günnemann (CoRR, 2025)