ChemBFN: BFN for Chemistry Tasks

Peer Reviewed

• Tao, N.; Abe, M. Bayesian Flow Network Framework for Chemistry Tasks. Journal of Chemical Information and Modeling 2025, 65 (3), 1178–1187. DOI: 10.1021/acs.jcim.4c01792.

• Tao, N.; Nagai, T.; Abe, M. Molecular Structure Design via Bayesian Flow Network. CICSJ Bulletin 2025, 43 (1), 10-14. DOI: 10.11546/cicsj.43.10.

Preprint

• Tao, N.; Abe, M. Bayesian Flow Is All You Need to Sample Out-of-Distribution Chemical Spaces. 2024; https://arxiv.org/abs/2412.11439.

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