Here OMDB datasets can be downloaded for machine learning applications. In addition, we list predictions made with models on common databases such as the COD.

Online predictions for a user-uploaded CIF file here.

Organic Materials Database (OMDB)
Name Version Cite # Materials
OMDB-GAP1 1.1 10.1002/qute.201900023 12,500 Download
Machine learning predictions on other databases
Database Version Cite # Materials
COD 1.1 10.1002/qute.201900023 260,092 Download