Links: Documentation · GitHub · PyPI · DOI
Summary
rxnDB is a searchable collection of published lab experiments on how minerals change with pressure and temperature. Install it with pip install rxnDB, run rxndb, and open the page in your browser to look up a reaction, see the data behind it, draw the boundary between minerals, and decide what experiment to run next. Every view has its own link, so you can share exactly what you see.
Figure: rxnDB logo.
Features
- Search hundreds of published experiments by mineral, author, or citation
- Inspect the data behind each reaction alongside a diagram you can zoom and explore
- Fit boundaries to the data, get ideas for the next experiment, and download anything as a file
Acknowledgement
rxnDB was developed with Simon Hunt (University of Manchester) and John Wheeler (University of Liverpool). This work was funded by the UKRI NERC Large Grant no. NE/V018477/1 awarded to John Wheeler at the University of Liverpool.
Open Research
All code is MIT Licensed and free for use and distribution at https://github.com/buchanankerswell/rxndb, with documentation at https://kerswell-et-al-rxndb.readthedocs.io/en/latest/, releases on PyPI (pip install rxnDB), and an archived release at doi:10.5281/zenodo.23736048.