Datasets
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 |