Why Materials Datasets Need Version Numbers
You ran an OPTIMADE query in January and retrieved 847 perovskite structures. In July, the same filter returns 891. The band gaps on 23 entries have changed. Three entries from your training set no longer appear in default results. None of that was announced. There is no changelog entry for it, no notification, no version bump you could have subscribed to. OPTIMADE (the open REST API standard for querying computational materials databases) providers update their databases continuously: DFT recalculations, pipeline bug fixes, new high-throughput runs, deprecated structures. None of these changes are surfaced through the standard query interface. ...