Atomic structure generation from reconstructing structural fingerprints

1 code implementation • 27 Jul 2022 • Victor Fung, Shuyi Jia, Jiaxin Zhang, Sirui Bi, Junqi Yin, P. Ganesh

These methods would help identify or, in the case of generative models, even create novel crystal structures of materials with a set of specified functional properties to then be synthesized or isolated in the laboratory.

BIG-bench Machine Learning valid