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mcsorkun avatar mcsorkun commented on July 22, 2024

Hello @xoolCCG

I just checked your notebook, there were several problems with it.

  • Wrong path for your data
  • Wrong parameter "target", you don't have any target only your data so you cannot use tailored similarity.
  • Also there was some matplotlib version problem from ChemPlot side I will create another issue for it.

Now, I updated your code, it is working. By changing parameters/methods you can play with your data.

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mcsorkun avatar mcsorkun commented on July 22, 2024

Also ref documents are available here: https://chemplot.readthedocs.io/en/latest/
And the paper: https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/cmtd.202200005

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xoolCCG avatar xoolCCG commented on July 22, 2024

hello! mcsorkun,

Thank you very much for your time and information. The result is great after I use the information tha you shared.

Best regard

from chemplot.

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