Standardizing chemical compounds with language models. - Miruna T. Cretu; Alessandra Toniato; Amol Thakkar; Amin A Debabeche; Teodoro Laino; Alain C. Vaucher (Mach. Learn. Sci. Technol., 2023)

SynFlowNet: Towards Molecule Design with Guaranteed Synthesis Pathways. - Miruna T. Cretu; Charles Harris; Julien Roy; Emmanuel Bengio; Pietro Liò (CoRR, 2024)

SynFlowNet: Design of Diverse and Novel Molecules with Synthesis Constraints. - Miruna T. Cretu; Charles Harris; Ilia Igashov; Arne Schneuing; Marwin H. S. Segler; Bruno E. Correia; Julien Roy; Emmanuel Bengio; Pietro Lio (ICLR, 2025)

TABASCO: A Fast, Simplified Model for Molecular Generation with Improved Physical Quality. - Carlos Vonessen; Charles Harris; Miruna T. Cretu; Pietro Liò (CoRR, 2025)

SynCoGen: Synthesizable 3D Molecule Generation via Joint Reaction and Coordinate Modeling. - Andrei Rekesh; Miruna T. Cretu; Dmytro Shevchuk; Vignesh Ram Somnath; Pietro Liò; Robert A. Batey; Mike Tyers; Michal Koziarski; Cheng-Hao Liu (CoRR, 2025)