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We need an API that allows to add the data directly in the database.
The unicity is based on idCode and source. If it exists and there is a new post we should replace the existing data and all the corresponding hose codes.
https://github.com/cheminfo/xps-epfl/blob/e3f450389b1dcdf75c767b9b6629de4a3e3853a3/data/qm9/createDB.mjs#L21-L23
We need an API that allows to add the data directly in the database.
The unicity is based on idCode and source. If it exists and there is a new post we should replace the existing data and all the corresponding hose codes.
idCode and coordinates are obtained using:
https://cheminfo.github.io/openchemlib-js/classes/Molecule.html#getIDCodeAndCoordinates
We need 2 fields in the molecule database:
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