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Iupac Python Packages

Python packages with the GitHub topic iupac. Sorted by monthly downloads, with stars and forks.
Steinbeck-Lab
orthonym

Deterministic structure-to-IUPAC-name generator. Names are checked by an OPSIN round trip, the engine declines rather than guess, and --provenance says how each name was checked.

3K 7 2
HzaCode
cheminformant

⚗️ An all-in-one solution for chemical property retrieval from PubChem.

1K 53 5
kalininalab
glyles

A translator from IUPAC representations of glycans into SMILES

1K 18 7
lignum-vitae
biobase

A home for all biological/bioinformatics constants from protein strings to BLOSUM matrices.

496 13 5
CedricRossboth
nmross

From a smiles representation of the molecule or its IUPAC name, an approximate 1H NMR will be given. Only works for molecules with maximum one aromatic ring and no double bonds.

116 0 1
harshil21
carbonpy

An Organic Chemistry module

76 17 0
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