Benchmark tests of atom-locating CNN models with a consistent dataset

Foundry-ML - Software and Services to Simplify Access to Machine Learning Datasets in Materials Science

“…Foundry has been successfully used in educational curricula (Stan et al, 2021) and to publish datasets by research teams at the University of Chicago, Argonne National Lab, the University of Toronto (Huang et al, 2022), 3M (Schneider et al, 2022), the University of Wisconsin (Li et al, 2021;Wei et al, 2021), MIT (Schwalbe-Koda et al, 2021) Figure 2, and many more. In Figure 2, we highlight a use case for the ML-guided design of organic structure-directing agents (OSDAs) to promote zeolite formation from the team of Gomez-Bombarelli at MIT.…”