Otto Brinkhaus

Website (smilesdrawer.rocks) that is linked in Readme is offline

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"This site can’t be reached www.smilesdrawer.rocks refused to connect."

Use pystow for storing model file in user directory

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right now, it is stored in the package directory

Can't reproduce the original results with the example page

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If you have a look into the Jupyter Notebook, the results differ from the results that we originally got. I tried it with different resolutions but the issue remains the...

Depiction of large structures makes Python crash on Windows

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Hey there! We have run into a problem with the depiction functionalities in PIKAChU. When depicting large molecules, Python simply crashes. We don't get an exception that can be caught...

SMILES parser fails

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Hey there! When reading SMILES strings using PIKAChU, @Mar-Gol ran into the following problem: ### Minimal example for reproduction: ``` >>> smiles = 'CCOC1=CC2=C(C=C1)S(=O)C(=C2C3=CC=CC=C3)C(=O)C4=CC=CC=C4' >>> from pikachu.general import read_smiles >>>...

After playing around with the attributes of drawing.Options(), I have noticed that some of them don't do anything: - ‘font_size_large’ - ‘font_size_small’ - ‘height’ - ‘width’ - All ‘kk_*’ attributes...

Thank you very much for making this dataset available as a community resource! I have found information on how big the different subsets are and how the classes are distributed...

When converting your XML format to COCO, I have found some issues. This is not meant to be criticism, I just thought you might want to know if you are...