Materials-Consortia/OPTIMADE

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Specification of a common REST API for access to materials databases

Stars: 108
Forks: 39
Open beginner issues: 0
Indexed issues: 75

Dominant language: Makefile
License: CC-BY-4.0
Last GitHub push: Aug 31, 2026
Latest indexed: Sep 20, 2026
Contributing guide: Contributing guide
Code of conduct: Code of conduct
Beginner labels: No beginner labels indexed
PR merge metrics: No merged PRs in 30d

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75 open issues indexed

General improvements to the current spec Open

Difficulty 5/5 Over a week Newbie friendliness 25/100

Materials-Consortia/OPTIMADE#598 · Opened Jul 3, 2026
Reserve and later define `/properties` (along with `/workflow_definitions`) Open

Difficulty 5/5 Over a week Newbie friendliness 28/100

Materials-Consortia/OPTIMADE#596 · Opened Jul 2, 2026
Allow filtering on property metadata Open

status/has-concrete-suggestion topic/filtering-language

Difficulty 5/5 Over a week Newbie friendliness 45/100

Materials-Consortia/OPTIMADE#592 · Opened Jun 30, 2026
Extend the /info/structures endpoint to include fields returned by default Open

Difficulty 5/5 Over a week Newbie friendliness 28/100

Materials-Consortia/OPTIMADE#588 · 2 comments · Opened Jan 19, 2026
Validate machine-readable property definitions in CI of this repo Open

Difficulty 4/5 3-5 days Newbie friendliness 25/100

Materials-Consortia/OPTIMADE#575 · Opened Nov 4, 2025
Documentation around procedures related to community moderators Open

Difficulty 2/5 Half a day Newbie friendliness 40/100

Materials-Consortia/OPTIMADE#571 · Opened Sep 30, 2025
Extending single entry endpoint's `links` Open

Difficulty 5/5 Over a week Newbie friendliness 25/100

Materials-Consortia/OPTIMADE#568 · 1 comment · 1 reaction · Opened Sep 22, 2025
The road to standardized results data Open

Difficulty 5/5 Over a week Newbie friendliness 25/100

Materials-Consortia/OPTIMADE#567 · 2 comments · Opened Sep 19, 2025
Handling overly long relationship lists (and large metadata?) Open

Difficulty 5/5 Over a week Newbie friendliness 25/100

Materials-Consortia/OPTIMADE#565 · 2 comments · Opened Sep 19, 2025
Have a central place listing all names of defined dimensions Open

Materials-Consortia/OPTIMADE#564 · 1 comment · 1 assignee · Opened Sep 18, 2025
Extension to new compact formats for lists (beyond constant values) Open

Difficulty 5/5 Over a week Newbie friendliness 25/100

Materials-Consortia/OPTIMADE#559 · 1 reaction · Opened Sep 18, 2025
Unify language for lists Open

Materials-Consortia/OPTIMADE#556 · 3 assignees · Opened Sep 18, 2025
Extensions to the trajectory endpoints useful for life-sciences simulations Open

Difficulty 5/5 Over a week Newbie friendliness 30/100

Materials-Consortia/OPTIMADE#553 · 1 comment · Opened Sep 17, 2025
Extend site_coordinate_span with space-filling octahedra Open

Difficulty 5/5 Over a week Newbie friendliness 25/100

Materials-Consortia/OPTIMADE#552 · 10 comments · Opened Sep 17, 2025
General policy/strategy in terms of specifying constraints on values of properties and across multiple properties Open

Difficulty 5/5 Over a week Newbie friendliness 20/100

Materials-Consortia/OPTIMADE#545 · 1 comment · Opened Jul 4, 2025
Relax requirements on the `space_group_symmetry_operations_xyz` field Open

Difficulty 2/5 1-3 hours Newbie friendliness 55/100

Materials-Consortia/OPTIMADE#544 · 4 comments · Opened Jun 16, 2025
Install grammatica from a Debian/Ubuntu package instead of building it from scratch Open

Difficulty 3/5 1-2 days Newbie friendliness 35/100

Materials-Consortia/OPTIMADE#543 · Opened Jun 10, 2025
`x-optimade-metadata-definition` is not described in Property Definitions Open

topic/property-definitions type/bug

Difficulty 2/5 1-3 hours Newbie friendliness 58/100

Materials-Consortia/OPTIMADE#535 · Opened Nov 18, 2024
Adding an `/llms.txt` file for OPTIMADE Open

Difficulty 4/5 3-5 days Newbie friendliness 35/100

Materials-Consortia/OPTIMADE#534 · 1 reaction · Opened Nov 16, 2024
Implement REGEXP search in query language Open

PR/requires-discussion topic/filtering-language type/proposal

Difficulty 5/5 Over a week Newbie friendliness 30/100

Materials-Consortia/OPTIMADE#532 · 1 reaction · Opened Oct 18, 2024
Properties proposed at the 2024 workshop Open

misc/help wanted topic/property-definitions type/proposal

Difficulty 5/5 Over a week Newbie friendliness 25/100

Materials-Consortia/OPTIMADE#530 · 2 comments · 1 reaction · Opened Jul 8, 2024
Allow slicing not only on all array axes sharing the same dimension, but also on a specific array axis Open

Difficulty 5/5 Over a week Newbie friendliness 35/100

Materials-Consortia/OPTIMADE#528 · Opened Jun 14, 2024
Provide table of all dimension names defined by the OPTIMADE specification Open

Difficulty 5/5 Over a week Newbie friendliness 35/100

Materials-Consortia/OPTIMADE#527 · 1 comment · Opened Jun 14, 2024
Support pointers to compatible properties Open

topic/property-definitions

Difficulty 3/5 1-2 days Newbie friendliness 38/100

Materials-Consortia/OPTIMADE#526 · Opened Jun 13, 2024
Resolving a specific definition for a field from within the `info` endpoints Open

Difficulty 4/5 3-5 days Newbie friendliness 35/100

Materials-Consortia/OPTIMADE#525 · 1 comment · Opened Jun 12, 2024
Trajectories examples Open

Difficulty 5/5 Over a week Newbie friendliness 35/100

Materials-Consortia/OPTIMADE#522 · 1 comment · Opened Jun 11, 2024
Removing property definitions from main specification text? Open

topic/property-definitions

Difficulty 5/5 Over a week Newbie friendliness 25/100

Materials-Consortia/OPTIMADE#505 · 2 comments · 1 reaction · Opened Mar 22, 2024
Serve multiple rendered HTML specification versions from `gh-pages` branch Open

Difficulty 5/5 Over a week Newbie friendliness 25/100

Materials-Consortia/OPTIMADE#501 · 4 comments · Opened Mar 19, 2024
Reserve sub-namespace for index databases Open

Difficulty 5/5 Over a week Newbie friendliness 25/100

Materials-Consortia/OPTIMADE#500 · 1 comment · Opened Mar 19, 2024
Supporting indexing of archives in the `/files` endpoint Open

status/has-concrete-suggestion type/proposal

Difficulty 5/5 Over a week Newbie friendliness 25/100

Materials-Consortia/OPTIMADE#484 · 2 comments · Opened Sep 20, 2023
Plural or singular names for nested data types Open

priority/low

Difficulty 2/5 1-3 hours Newbie friendliness 35/100

Materials-Consortia/OPTIMADE#483 · 5 comments · Opened Aug 8, 2023
Non-crystallographic symmetry operations Open

topic/property-standardization

Difficulty 5/5 Over a week Newbie friendliness 25/100

Materials-Consortia/OPTIMADE#477 · Opened Jun 22, 2023
Space group operations for modulated structures and quasicrystals Open

topic/property-standardization

Difficulty 5/5 Over a week Newbie friendliness 25/100

Materials-Consortia/OPTIMADE#476 · Opened Jun 22, 2023
Magnetic moments property Open

Difficulty 5/5 Over a week Newbie friendliness 25/100

Materials-Consortia/OPTIMADE#468 · 5 comments · 1 reaction · Opened Jun 9, 2023
Create minor version branch `v1.1` ready for backported fixes Open

Difficulty 2/5 1-3 hours Newbie friendliness 38/100

Materials-Consortia/OPTIMADE#446 · Opened Dec 22, 2022
Brief introductory paragraph on generic use of OPTIMADE as a format Open

Difficulty 2/5 1-3 hours Newbie friendliness 45/100

Materials-Consortia/OPTIMADE#423 · 2 reactions · Opened Sep 28, 2022
Current non-compliance with JSON:API - fetching paginated relationships Open

Difficulty 5/5 Over a week Newbie friendliness 35/100

Materials-Consortia/OPTIMADE#420 · 8 comments · Opened Jul 6, 2022
Need to define "recognized" database prefix Open

Difficulty 4/5 3-5 days Newbie friendliness 35/100

Materials-Consortia/OPTIMADE#413 · 4 comments · Opened Jun 2, 2022
Derived properties vs. primary properties Open

topic/property-standardization type/proposal

Difficulty 5/5 Over a week Newbie friendliness 25/100

Materials-Consortia/OPTIMADE#410 · 17 comments · 1 reaction · Opened May 31, 2022
Ability to identify the OPTIMADE json api format Open

Difficulty 5/5 Over a week Newbie friendliness 25/100

Materials-Consortia/OPTIMADE#408 · 3 comments · Opened May 31, 2022
Extending `response_fields` syntax to allow rejecting/adding individual fields relative to the default Open

status/has-concrete-suggestion topic/query-string type/proposal

Difficulty 5/5 Over a week Newbie friendliness 25/100

Materials-Consortia/OPTIMADE#402 · 6 comments · 1 reaction · Opened Mar 2, 2022
Does dimension_types refer to the periodicity of the volume or of the structure? Open

topic/property-standardization

Difficulty 3/5 1-2 days Newbie friendliness 25/100

Materials-Consortia/OPTIMADE#390 · 9 comments · Opened Nov 23, 2021
Using OPTIMADE for Biomolecular data Open

Difficulty 5/5 Over a week Newbie friendliness 25/100

Materials-Consortia/OPTIMADE#389 · 22 comments · Opened Nov 5, 2021
Additional requirements on formulas Open

status/has-concrete-suggestion topic/property-standardization type/proposal

Difficulty 5/5 Over a week Newbie friendliness 25/100

Materials-Consortia/OPTIMADE#388 · 25 comments · Opened Oct 27, 2021
Suggestion of an "/archives" endpoint Open

PR/requires-discussion type/proposal

Difficulty 5/5 Over a week Newbie friendliness 20/100

Materials-Consortia/OPTIMADE#364 · 1 comment · Opened Jun 11, 2021
Impurities and (n)elements (a.k.a. Shyam's wrench) Open

PR/requires-discussion priority/mid

Difficulty 5/5 Over a week Newbie friendliness 25/100

Materials-Consortia/OPTIMADE#361 · 1 comment · Opened Jun 10, 2021
Changing DOI to Handles in reference Open

status/no-consensus topic/response-format type/proposal

Difficulty 5/5 Over a week Newbie friendliness 35/100

Materials-Consortia/OPTIMADE#353 · 8 comments · Opened Mar 9, 2021
Host specification on optimade.org Open

misc/question priority/mid status/has-concrete-suggestion status/no-consensus type/proposal

Difficulty 5/5 Over a week Newbie friendliness 20/100

Materials-Consortia/OPTIMADE#347 · 3 comments · Opened Dec 21, 2020
No way to use IS KNOWN/IS UNKNOWN in list comparisons Open

topic/filtering-language

Difficulty 5/5 Over a week Newbie friendliness 30/100

Materials-Consortia/OPTIMADE#346 · 2 comments · Opened Dec 17, 2020
Structure features 'assemblies' and 'disorder' depend on representation, not actual structure features Open

topic/property-standardization

Difficulty 5/5 Over a week Newbie friendliness 25/100

Materials-Consortia/OPTIMADE#342 · 3 comments · Opened Nov 27, 2020

Materials-Consortia/OPTIMADE

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