MolGuidance: Advanced Guidance Strategies for Conditional Molecular Generation with Flow Matching. - Jirui Jin; Cheng Zeng; Pawan Prakash; Ellad B. Tadmor; Adrian Roitberg; Richard G. Hennig; Stefano Martiniani; Mingjie Liu (CoRR, 2025)

MolCrystalFlow: Molecular Crystal Structure Prediction via Flow Matching. - Cheng Zeng; Harry W. Sullivan; Thomas Egg; Maya M. Martirossyan; Philipp Höllmer; Jirui Jin; Richard G. Hennig; Adrian Roitberg; Stefano Martiniani; Ellad B. Tadmor; Mingjie Liu (CoRR, 2026)

PropMolFlow: property-guided molecule generation with geometry-complete flow matching. - Cheng Zeng; Jirui Jin; Connor Ambrose; George Karypis; Mark K. Transtrum; Ellad B. Tadmor; Richard G. Hennig; Adrian Roitberg; Stefano Martiniani; Mingjie Liu (Nat. Comput. Sci., 2026)