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Releases: IvanChernyshov/NistChemPy

1.0.2

28 Sep 22:21
20eb23b
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  • 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

28 Sep 12:12
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Fixes several bugs:

  • error why saving spectra via the nistchepy.compound.NistCompound.save_spectra method;

  • removes unintended spaces in chemical formula.

1.0.0

24 Sep 23:31
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The first stable release.