inchi

There are 10 repositories under inchi topic.

epam/Indigo
Universal cheminformatics toolkit, utilities and database search tools
Language:C++315 46 1.5k105
sebotic/cdk_pywrapper
A Python wrapper for the Chemistry Development Kit (CDK)
Language:Python30 6 52
longemen3000/ChemicalIdentifiers.jl
chemical identifiers (CAS, PubChemID, SMILES,InChI, InChI keys, names) from text search
Language:Julia18 3 31
bioclipse/bioclipse.cheminformatics
Bioclipse Cheminformatics Feature
Language:Java10 5 213
NIVANorge/chemspiderapi
R functionalites for ChemSpider's new API services
Language:R5 3 42
Goodman-lab/InChiMarkush
A tool to deconstruct MarkInChi codes. It only understands a small subset of a draft of a MarkInChI syntax, and does not make use of the pseudo-element facility (Zz) of InChI v1.06
Language:Python1 2 12
MSI-Metabolomics-Standards-Initiative/inchi-isotopologue-extension
specification extension to InChi to better support isotopologue reporting
1 4 11
Goodman-lab/InChiQRCodes
A website which converts an InChI key for a chemical into a QR code which directs to its relevant PubChem page
Language:HTML0 2 01
KylleV/SMILES-Mapper
Small web-app allowing interactive vizualization of how chemical string and files like SMILES, InChi and .mol/.sdf are created
Language:JavaScript0 1 00
manufac-analytics/inchi
InChI for NodeJS/TypeScript
Language:TypeScript0 2 271