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Meredith-Lab / volcalc

volcalc: Calculate Volatility of Chemical Compounds
https://meredith-lab.github.io/volcalc/
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Add InChI as possible input #109

Open Aariq opened 3 months ago

Aariq commented 3 months ago

ChemmineOB::convertFormat() is able to convert many formats into, e.g. SMILES, that could plug into the current functions. However, translation from InChI is not available on Windows.