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* build: update CI/CD workflows and deployment scripts * docker exec nmr-converter * fix: remove spaces from release-please workflow file * fix: update dev url in docker-compose-dev.yml * fix: update log file ownership and permissions in deployment script
* feat: improve prediction refactor: improve code refactor: improve nmr-cli chore: update package-lock.json * feat: expose molecular prediction powered by nmrdb.org and nmrshift engines feat: improve prediction with molfile refactor: improve prediction error message * feat(docker): add shared-data volume to nmr-converter service
Updated playwright dependency version to 1.56.1.
) * docs: improve OpenAPI descriptions, examples, and response codes Add detailed descriptions, request/response examples, and proper HTTP response codes across all routers. Add OpenAPI tag metadata and a rich API description to the FastAPI app configuration. * feat(spectra): add parse-publication-string endpoint Add POST /spectra/parse/publication-string endpoint that resurrects an NMR spectrum from an ACS-style publication string. The endpoint accepts the publication string as a plain text body and invokes the nmr-cli parse-publication-string command via Docker exec. Uses StreamingResponse with Content-Disposition attachment header to prevent Swagger UI from hanging on the large spectrum JSON response. Also improves OpenAPI docs for existing spectra endpoints.
* docs: improve OpenAPI descriptions, examples, and response codes Add detailed descriptions, request/response examples, and proper HTTP response codes across all routers. Add OpenAPI tag metadata and a rich API description to the FastAPI app configuration. * feat(spectra): add parse-publication-string endpoint Add POST /spectra/parse/publication-string endpoint that resurrects an NMR spectrum from an ACS-style publication string. The endpoint accepts the publication string as a plain text body and invokes the nmr-cli parse-publication-string command via Docker exec. Uses StreamingResponse with Content-Disposition attachment header to prevent Swagger UI from hanging on the large spectrum JSON response. Also improves OpenAPI docs for existing spectra endpoints. * feat(spectra): add peaks-to-nmrium endpoint and CLI command Add a new POST /spectra/parse/peaks endpoint that converts a list of NMR peaks (chemical shift, intensity, width) into a full NMRium-compatible spectrum object. The endpoint delegates to a new `peaks-to-nmrium` CLI command in nmr-cli which uses `peaksToXY` from nmr-processing to generate the simulated 1D spectrum data.
* fix: stream serialization of large NMRium state objects refactor: include the meta and info object in case of serialize as dataSource * refactor: stream nmr-cli output as JSON response in parse-spectra endpoint
… image capture(#104) * chore(nmr-cli): update dependencies * feat(nmr-cli): update nmrium core dependencies * refactor(nmr-cli): replace 'chromium' with 'firefox' for spectra image capture * chore(nmr-cli): update playwright to version 1.58.2
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