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Published 20 hours ago • verified publisher icon volkamerlab

Machine learning

Open t-kimber opened this issue 4 years ago • 0 comments

Missing features (in order of importance):

  • SELFIES as molecular string encoding
    • Check one-hot for selfies packages
  • Add k-fold cross-validation
  • Parser
    • Have a separate function for parser

t-kimber avatar Jan 18 '21 15:01 t-kimber