ChemBFN: Bayesian Flow Network Framework for Chemistry Tasks

A project page usually has the main outcomes of that research, however, here I want this page be more like a personal blog writting down any interesting things encountered during the research. Since our paper are short, in my opinion, we encourage readers to check the results on their own.

Paper

Blog

[03/01/2025] I usually put paperwithcode badges on the project README. I’m glad that for every few months the rankings of my model dropped a little bit: I know that our community has been developing better models for chemistry now! One day I found my model dropped, dramatically, from the top 5 to the last 10. I immedinately clicked the link to see what happened, from which, well, I laughed. A user added results saying that even vanilla GCN defeated ChemBFN. I looked through the paper, oh it’s from Cambridge. Then it’s more laughing: the authors didn’t check the data splitting method and reported the results, even not be clearly stated in their paper, on the random split, even though the previous users and I on paperwithcode reported results from scaffold splits. Now the platform has been ruined by the silly researchers, and I removed the badges.