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john-waczak
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AutoChem.jl
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Update master_species_list.csv
#16
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john-waczak
opened
1 year ago
john-waczak
commented
1 year ago
[ ] Add column with InChl identifier
[ ] Add column with Smiles String
[ ] Add column with total ion count for each species
[ ] Add a column with 1 for RO2 species and 0 otherwise
john-waczak
commented
1 year ago
this link
may be helpful for programatic access
john-waczak
commented
1 year ago
web scraping