This repository provides Jupyter4Chem-ready notebooks that bind the nmrXiv APIs into executable, documented Python workflows. Each notebook focuses on one API group from the nmrXiv OpenAPI specification and can be used as an interactive starting point for searching, retrieving, and reusing NMR data in computational chemistry workflows.
The nmrXiv API specification is available at https://nmrxiv.org/docs?api-docs.json.
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List public projects, samples, and datasets; fetch a public model by identifier such as
P1,S3, orD12- Open notebook in Binder - Fetch Bioschemas and DataCite metadata globally, by public identifier, or by username/project slug - Open notebook in Binder
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Search compounds by supported structure query types such as
smiles,inchi, andinchikey- Open notebook in Binder
Licensed under the MIT license.
nmrXiv-notebooks is developed and maintained by the NFDI4Chem partners at the Friedrich Schiller University Jena, Germany. The code for this web application is released under the MIT license.
Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under the National Research Data Infrastructure – NFDI4Chem – Projektnummer 441958208.
