inchiKeyCreatorPipeline

contains the scripts needed to get the inchiKeyPipeline up and running. manual on how to run comming soon!

Name		Name	Last commit message	Last commit date
Latest commit History 8 Commits
InchiKey pipeline manual.pdf		InchiKey pipeline manual.pdf
InchiKeyCreatorPipeline.py		InchiKeyCreatorPipeline.py
InchiKeyFileMerger.py		InchiKeyFileMerger.py
LICENSE		LICENSE
README.md		README.md
fileSplitter.py		fileSplitter.py
inchiKeyCreator3.py		inchiKeyCreator3.py
smiles_neutralizer.py		smiles_neutralizer.py

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