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screening_db_with_bs

script that takes molecular formulas as input and screens the NIST database (using beatiful soup librarie from python) for heat of formations (returning heat of fomrations, type of experiment, literature and the InChI of the molecule)

using as

python3 hof.py mol_formulas.txt

where mol_fornulas.txt the is the file containing the molecular formulas (one per line).

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