OPTIMADE

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Derived properties vs. primary properties

17

@sauliusg made a remark that it would be good to know whether a property comes directly out of the underlying data source, or if it has been processed (probably to...

rartino

Extending `response_fields` syntax to allow rejecting/adding individual fields relative to the default

6

I think a potentially useful piece of syntax that we are missing is the ability to specify `response_fields` relative to the default response for that implementation. Typically you run into...

ml-evs

Using OPTIMADE for Biomolecular data

21

I recently had a discussion with Adam Hospital about making the OPTIMADE standard suitable for biomolecular data. The most important data to share, that is not standard in Optimade, would...

JPBergsma

LIKE operators

2

It has been suggested (Issue #42, PR #69) to have operator similar to SQL "LIKE" in a query language. Since there are reservations about implementing 'LIKE "%string%"' construct as being...

sauliusg

Should pagination links include all URL query parameters (e.g. response fields)?

4

This point was raised on the forums (by @oarcelus) here: https://matsci.org/t/cod-response-does-not-include-response-fields-in-next-link/39530. Currently the pymatgen `OptimadeRester` (and presumably other clients) rely on the fact that they can just use the `links->next`...

ml-evs

Host specification on optimade.org

3

Also another thing. Now that we are getting into a bit more of a serious phase: no one knows if GitHub will suddenly change their URL structure. Should we not...

CasperWA

Like operator

31

Offering implementation of the "LIKE", "NOT LIKE" and "UNLIKE" string matching operators in the Filter grammar, and briefly describing their semantics. Alternatively, offering implementation of the "MATCH /regexp/" operator.

sauliusg

Impurities and (n)elements (a.k.a. Shyam's wrench)

1

I'll throw a wrench into the discussion. `nelements` should equal `len(elements)`, this is fine. In an experiment with known impurities, a DB might want to list those impurities but not...

ml-evs

Changing DOI to Handles in reference

8

### General description of the Issue Currently, the **[reference](https://github.com/Materials-Consortia/OPTIMADE/blob/develop/optimade.rst#74references-entries)** section assumes that the persistent identifiers for an Entry are always created using DOI. Since the DOI identifiers are just a...

tachyontraveler

Suggestion of an "/archives" endpoint

1

At the 2021 workshop, we discussed including an OPTIONAL `archives` entry type and corresponding endpoint in the specification. Below is an incomplete summary of the ideas that were discussed (please...

ml-evs