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datamol-io / splito

Machine Learning dataset splitting for life sciences.
https://splito-docs.datamol.io/
Apache License 2.0
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visualize_chemspace is missing #13

Open suneelbvs opened 2 months ago

suneelbvs commented 2 months ago

Hi,

I have been trying to plot scaffold split using visualize_chemspace (as mentioned in the tutorial). visualize_chemspace code is not there in utili.py. Is it changed?

cwognum commented 2 months ago

Hi @suneelbvs ! It is not part of the official Splito code-base, but rather a utility function that is defined specifically for the tutorials.

See: https://github.com/datamol-io/splito/blob/0d9c2df489b58a73e2a2b93a2c180ce7a8f5fb36/docs/tutorials/utils.py#L14-L23

I don't think this function should be part of the official Splito code base since it is not directly relevant to splitting, but if you feel otherwise I would be happy to discuss this!