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How could I run the FCS algorithm result? #14

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opened 2025-10-14 16:20:30 -06:00 by navan · 0 comments
navan commented 2025-10-14 16:20:30 -06:00
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Originally created by @peizhenbai on 6/23/2021

Hi @kexinhuang12345 , I have several questions about your FCS algorithm in MolTrans paper:

  • What's the dataset that you use to run FCS and get the frequent sub-structure?
  • How could I run the FCS algorithm? It seems not be in this repo.
  • About the drug SMILE sequence, did you use the canonical SMILE or just the SMILE format provided by the dataset itself?

This is a great job and inspire me a a lot. Many thanks!

*Originally created by @peizhenbai on 6/23/2021* Hi @kexinhuang12345 , I have several questions about your FCS algorithm in MolTrans paper: - What's the dataset that you use to run FCS and get the frequent sub-structure? - How could I run the FCS algorithm? It seems not be in this repo. - About the drug SMILE sequence, did you use the canonical SMILE or just the SMILE format provided by the dataset itself? This is a great job and inspire me a a lot. Many thanks!
navan closed this issue 2025-10-14 16:20:30 -06:00
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Reference: github/MolTrans#14
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