Adding notebooks, functions, results for molFiles and atom mapping#4
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jackmcg2-sbg wants to merge 1 commit intoopentecr:mainfrom
Open
Adding notebooks, functions, results for molFiles and atom mapping#4jackmcg2-sbg wants to merge 1 commit intoopentecr:mainfrom
jackmcg2-sbg wants to merge 1 commit intoopentecr:mainfrom
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Adding the notebooks and functions used to warrant the generation of molFiles, and atom mapping of reactions for the openTECR database. Molfiles and atom mapped reactions are also uploaded