Comments (3)
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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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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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
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Related Issues (18)
- Add CI for automatic testing HOT 1
- Improving the quality of the figure HOT 2
- consider adding a CITATION.cff HOT 4
- Error when running in web HOT 2
- ImportError: cannot import name 'Panel' from 'bokeh.models' HOT 3
- Tanimoto metric HOT 3
- interactive map - can we select more than one structure using hover?
- Some problems to run t-SNE in the APP
- Is it possible to change the default finger print size ?
- ImportError: cannot import name 'Panel' from 'bokeh.models' HOT 4
- 3d representation using tailored similarity
- Using similarity type "structural" throws AttributeError if using t-SNE HOT 3
- Installation issues: matplotlib; sklearn HOT 2
- Descriptors computed prior to dimensionality reduction
- Hide hydrogens when using interactive_plot to render 2D image of molecules HOT 3
- ChemPlot doesn't seem to be able to save as a vector image HOT 3
- how to load data HOT 2
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