Changelog

1.0.2

  • Adds c.a. 10 000 of missing InChI strings to the pre-saved data on compounds (nistchempy.compound_list.get_all_data()).

  • Fixes bug in update resulted in c.a. 10 000 of missing InChI strings.

  • Fixes chemical formula parser.

  • Adds reference to repo containing data extracted from NIST Chemistry WebBook (NistChemData).

1.0.1

  • Fixes bug with saving spectra.

  • Fixes unintended spaces in chemical formula.

1.0.0

First tracked release.