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Prefix unique id

Open hadim opened this issue 3 years ago • 1 comments

The current datamol unique id looks like 6cb8a819d03a38a6ed4771d1bbfd899c.

In the future, we might want to rely on other type of hashing such as the soon-to-come in rdkit: https://github.com/rdkit/rdkit/pull/5360

It might be useful to add a prefix to the datamol unique id in order to be able to differentiate between those such as: non-standard-inchikey:6cb8a819d03a38a6ed4771d1bbfd899c.

I am not super convinced this is a good thing to do that currently, so I am just throwing the idea here to collect feedback.

The alternative could to simply rely on the coming rdkit hash (see PR above).

hadim avatar Jul 08 '22 22:07 hadim

just a fyi that it seems close to be merged here https://github.com/rdkit/rdkit/pull/5360 - don't know for which release it will be though

MichelML avatar Oct 04 '22 18:10 MichelML