Chemformer: a pre-trained transformer for computational chemistry. - Ross Irwin; Spyridon Dimitriadis; Jiazhen He; Esben Jannik Bjerrum (Mach. Learn. Sci. Technol., 2022)

Efficient 3D Molecular Generation with Flow Matching and Scale Optimal Transport. - Ross Irwin; Alessandro Tibo; Jon Paul Janet; Simon Olsson (CoRR, 2024)

SemlaFlow - Efficient 3D Molecular Generation with Latent Attention and Equivariant Flow Matching. - Ross Irwin; Alessandro Tibo; Jon Paul Janet; Simon Olsson (AISTATS, 2025)

Compositional Flows for 3D Molecule and Synthesis Pathway Co-design. - Tony Shen; Seonghwan Seo; Ross Irwin; Kieran Didi; Simon Olsson; Woo Youn Kim; Martin Ester (CoRR, 2025)

FLOWR: Flow Matching for Structure-Aware De Novo, Interaction- and Fragment-Based Ligand Generation. - Julian Cremer; Ross Irwin; Alessandro Tibo; Jon Paul Janet; Simon Olsson; Djork-Arné Clevert (CoRR, 2025)