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antibioticsai's Issues

Inquiry on Reproducing Substructure Analysis Results from Paper

Dear,
I hope this message finds you well. First, I want to express my admiration for the impressive work you've done—your project has truly been insightful and valuable. I am currently engaging with your substructure analysis, attempting to replicate the results depicted in Fig. 3(d) of your paper. However, I've encountered some variability in the results across different runs, which seem to lack the consistent grouping shown in the paper.

Here are the varied results from my four attempts:

image image image image

Could you please share any specific methods or adjustments you employed to achieve the stable groupings as illustrated? Any guidance or additional insights would be greatly appreciated to help me better understand the process.

Thank you very much for your time and assistance.

Warm regards,

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