├── .codecov.yml ├── .docker ├── docker_config.json └── run.sh ├── .github ├── CODEOWNERS ├── aiida │ ├── profile.yaml │ └── setup_aiida.sh ├── dependabot.yml ├── fly.toml ├── utils │ ├── release_tag_msg.txt │ ├── update_docs.sh │ └── wait_for_it.sh └── workflows │ ├── cd_container_image.yml │ ├── cd_release.yml │ ├── ci.yml │ └── ci_cd_updated_main.yml ├── .gitignore ├── .gitmodules ├── .pre-commit-config.yaml ├── CHANGELOG.md ├── CONTRIBUTING.md ├── Dockerfile ├── INSTALL.md ├── LICENSE ├── Procfile ├── README.md ├── docs ├── .pages ├── CHANGELOG.md ├── CONTRIBUTING.md ├── INSTALL.md ├── all_models.md ├── api_reference │ ├── .pages │ ├── adapters │ │ ├── .pages │ │ ├── base.md │ │ ├── exceptions.md │ │ ├── logger.md │ │ ├── references │ │ │ ├── .pages │ │ │ └── adapter.md │ │ ├── structures │ │ │ ├── .pages │ │ │ ├── adapter.md │ │ │ ├── aiida.md │ │ │ ├── ase.md │ │ │ ├── cif.md │ │ │ ├── jarvis.md │ │ │ ├── proteindatabank.md │ │ │ ├── pymatgen.md │ │ │ └── utils.md │ │ └── warnings.md │ ├── client │ │ ├── .pages │ │ ├── cli.md │ │ ├── client.md │ │ └── utils.md │ ├── exceptions.md │ ├── filterparser │ │ ├── .pages │ │ └── lark_parser.md │ ├── filtertransformers │ │ ├── .pages │ │ ├── base_transformer.md │ │ ├── elasticsearch.md │ │ └── mongo.md │ ├── models │ │ ├── .pages │ │ ├── baseinfo.md │ │ ├── entries.md │ │ ├── index_metadb.md │ │ ├── jsonapi.md │ │ ├── links.md │ │ ├── optimade_json.md │ │ ├── references.md │ │ ├── responses.md │ │ ├── structures.md │ │ ├── types.md │ │ └── utils.md │ ├── server │ │ ├── .pages │ │ ├── config.md │ │ ├── create_app.md │ │ ├── entry_collections │ │ │ ├── .pages │ │ │ ├── elasticsearch.md │ │ │ ├── entry_collections.md │ │ │ └── mongo.md │ │ ├── exception_handlers.md │ │ ├── exceptions.md │ │ ├── logger.md │ │ ├── main.md │ │ ├── main_index.md │ │ ├── mappers │ │ │ ├── .pages │ │ │ ├── entries.md │ │ │ ├── links.md │ │ │ ├── references.md │ │ │ └── structures.md │ │ ├── middleware.md │ │ ├── query_params.md │ │ ├── routers │ │ │ ├── .pages │ │ │ ├── index_info.md │ │ │ ├── info.md │ │ │ ├── landing.md │ │ │ ├── links.md │ │ │ ├── references.md │ │ │ ├── structures.md │ │ │ ├── utils.md │ │ │ └── versions.md │ │ ├── schemas.md │ │ └── warnings.md │ ├── utils.md │ ├── validator │ │ ├── .pages │ │ ├── config.md │ │ ├── utils.md │ │ └── validator.md │ └── warnings.md ├── concepts │ ├── .pages │ ├── filtering.md │ └── validation.md ├── configuration.md ├── css │ └── reference.css ├── deployment │ ├── .pages │ ├── container.md │ ├── integrated.md │ └── multiple_apps.md ├── getting_started │ ├── .pages │ ├── client.md │ ├── setting_up_an_api.md │ └── use_cases.md ├── images ├── index.md ├── openapi │ ├── index_openapi.json │ └── openapi.json ├── overrides │ └── main.html └── static │ ├── default_config.json │ └── optimade_config.json ├── images ├── exampletree.png ├── favicon.png └── optimade_logo_180x180.svg ├── mkdocs.yml ├── openapi ├── index_openapi.json └── openapi.json ├── optimade-version.json ├── optimade ├── __init__.py ├── adapters │ ├── __init__.py │ ├── base.py │ ├── exceptions.py │ ├── logger.py │ ├── references │ │ ├── __init__.py │ │ └── adapter.py │ ├── structures │ │ ├── __init__.py │ │ ├── adapter.py │ │ ├── aiida.py │ │ ├── ase.py │ │ ├── cif.py │ │ ├── jarvis.py │ │ ├── proteindatabank.py │ │ ├── pymatgen.py │ │ └── utils.py │ └── warnings.py ├── client │ ├── __init__.py │ ├── cli.py │ ├── client.py │ └── utils.py ├── exceptions.py ├── filterparser │ ├── __init__.py │ └── lark_parser.py ├── filtertransformers │ ├── __init__.py │ ├── base_transformer.py │ ├── elasticsearch.py │ └── mongo.py ├── grammar │ ├── __init__.py │ ├── v1.0.0.lark │ ├── v1.0.1.lark │ ├── v1.1.0.lark │ └── v1.2.0.lark ├── models │ ├── __init__.py │ ├── baseinfo.py │ ├── entries.py │ ├── index_metadb.py │ ├── jsonapi.py │ ├── links.py │ ├── optimade_json.py │ ├── references.py │ ├── responses.py │ ├── structures.py │ ├── types.py │ └── utils.py ├── server │ ├── __init__.py │ ├── config.py │ ├── create_app.py │ ├── data │ │ ├── __init__.py │ │ ├── providers.json │ │ ├── test_data.jsonl │ │ ├── test_links.json │ │ ├── test_references.json │ │ ├── test_structures.json │ │ └── test_structures_v0.9.7.json │ ├── entry_collections │ │ ├── __init__.py │ │ ├── elastic_indexes.json │ │ ├── elasticsearch.py │ │ ├── entry_collections.py │ │ └── mongo.py │ ├── exception_handlers.py │ ├── exceptions.py │ ├── index_links.json │ ├── logger.py │ ├── main.py │ ├── main_index.py │ ├── mappers │ │ ├── __init__.py │ │ ├── entries.py │ │ ├── links.py │ │ ├── references.py │ │ └── structures.py │ ├── middleware.py │ ├── query_params.py │ ├── routers │ │ ├── __init__.py │ │ ├── index_info.py │ │ ├── info.py │ │ ├── landing.py │ │ ├── links.py │ │ ├── references.py │ │ ├── static │ │ │ └── landing_page.html │ │ ├── structures.py │ │ ├── utils.py │ │ └── versions.py │ ├── schemas.py │ └── warnings.py ├── utils.py ├── validator │ ├── __init__.py │ ├── config.py │ ├── utils.py │ └── validator.py └── warnings.py ├── optimade_config.json ├── paper ├── paper.bib └── paper.md ├── pyproject.toml ├── requirements-client.txt ├── requirements-dev.txt ├── requirements-docs.txt ├── requirements-http-client.txt ├── requirements-server.txt ├── requirements.txt ├── run.sh ├── runtime.txt ├── tasks.py └── tests ├── __init__.py ├── adapters ├── conftest.py ├── references │ ├── __init__.py │ ├── conftest.py │ ├── raw_test_references.json │ └── test_references.py └── structures │ ├── __init__.py │ ├── conftest.py │ ├── raw_test_structures.json │ ├── special_species.json │ ├── test_aiida.py │ ├── test_ase.py │ ├── test_cif.py │ ├── test_jarvis.py │ ├── test_pdb.py │ ├── test_pdbx_mmcif.py │ ├── test_pymatgen.py │ ├── test_structures.py │ ├── test_utils.py │ └── utils.py ├── conftest.py ├── filterparser └── test_filterparser.py ├── filtertransformers ├── test_base.py ├── test_elasticsearch.py └── test_mongo.py ├── models ├── __init__.py ├── conftest.py ├── test_baseinfo.py ├── test_data │ ├── test_bad_structures.json │ ├── test_good_references.json │ └── test_good_structures.json ├── test_entries.py ├── test_jsonapi.py ├── test_links.py ├── test_optimade_json.py ├── test_references.py ├── test_structures.py ├── test_types.py └── test_utils.py ├── server ├── __init__.py ├── conftest.py ├── entry_collections │ ├── test_entry_collections.py │ └── test_indexes.py ├── middleware │ ├── test_api_hint.py │ ├── test_cors.py │ ├── test_query_param.py │ ├── test_versioned_url.py │ └── test_warnings.py ├── query_params │ ├── __init__.py │ ├── conftest.py │ ├── test_filter.py │ ├── test_include.py │ ├── test_response_fields.py │ └── test_sort.py ├── routers │ ├── __init__.py │ ├── test_info.py │ ├── test_links.py │ ├── test_references.py │ ├── test_structures.py │ ├── test_utils.py │ └── test_versions.py ├── test_client.py ├── test_config.py ├── test_mappers.py ├── test_schemas.py ├── test_server_validation.py ├── test_subapp_mounts.py └── utils.py ├── test_config.json ├── test_setup.py 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