ChemRxiv analytical characterization data

The purpose of this repository is to collect analytical characterization data from ChemRxiv preprints for testing cheminformatics methods, such as NMR-to-structure inference, on novel molecules.

We do best-effort extraction without post-processing into a simple, structured HTML format, so you can easily transform the data into your own format using an LLM.

Read the collection scope and representation guidelines.

Read the PDF processing guide for the source-to-HTML workflow.

Refer to the original publications for licensing details, typically CC BY 4.0 | CC BY-NC 4.0 | CC BY-NC-ND 4.0.

If you find this useful, please let us know and star the repository on GitHub.