inchi topic

List inchi repositories

Indigo

284
Stars
98
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Universal cheminformatics toolkit, utilities and database search tools

verified publisher icon epam

cdk_pywrapper

38
Stars
6
Forks
38
Watchers

A Python wrapper for the Chemistry Development Kit (CDK)

verified publisher icon sebotic

ChemicalIdentifiers.jl

17
Stars
1
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chemical identifiers (CAS, PubChemID, SMILES,InChI, InChI keys, names) from text search

verified publisher icon longemen3000

mofstructure

23
Stars
0
Forks
23
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A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of building units

verified publisher icon bafgreat