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Updates pre-saved compounds' data #19

Merged
merged 4 commits into from
Sep 28, 2024
Merged

Updates pre-saved compounds' data #19

merged 4 commits into from
Sep 28, 2024

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IvanChernyshov
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  • Adds c.a. 10 000 of missing InChI strings to the pre-saved data on compounds.
  • 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.

@IvanChernyshov IvanChernyshov merged commit 20eb23b into main Sep 28, 2024
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@IvanChernyshov IvanChernyshov deleted the dev branch September 28, 2024 22:18
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