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Machine learning #9

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t-kimber opened this issue Jan 18, 2021 · 0 comments

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t-kimber commented Jan 18, 2021 •

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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 self-assigned this

t-kimber added the enhancement label

t-kimber changed the title ~~Ensemble learning~~ Machine learning

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