datamol-io / molfeat

molfeat - the hub for all your molecular featurizers
https://molfeat.datamol.io
Apache License 2.0
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Improve errors reporting and documentation #60

Open maclandrol opened 1 year ago

maclandrol commented 1 year ago

This was reported by César Miguel in the slack channel:

I don't have any particular notions as of now, but simply a descriptive error message hinting at the way 
FeatConcat/MoleculeTransformer etc interact as opposed to the current "Cannot transform molecule..."
would probably be a great starting point. 
...
Maybe just writing the logic behind the use of each of these and/or their intended use 
cases/best practices beyond the current "base case" functionalities somewhere in the docs? 

Proposed actions: