Develop #32
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Develop #32
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Patch RDKit errors
…ys returning as empty
Patch interface between BioReactor and Matcher
Merge pull request #24 from jcorreia11/develop
Patch matcher
Change reaction rules loading
Update reaction rules data
Mp matcher
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Improve and fix some problems with the matcher pipeline.
Multiple matches by the same metabolite with different metabolites from the same parent compound can now be obtained.
Add reaction rules compressed file and read directly from it.
Reaction rules data read from bz2 file.
bz2 with reaction rules data added.
Remove new compounds with wildcard
*in smiles.Add multiprocessing to the matcher pipeline.
Fix the bug where all new products were removed because they matched the pattern
*.Now the
*presence or absence is done directly on the smiles string.