[Docs] List the application scenarios of `Selector`

theochem / Selector

Methods for selecting diverse (molecular) database.

https://selector.qcdevs.org

GNU General Public License v3.0

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[Docs] List the application scenarios of `Selector` #70

Open FanwangM opened 2 years ago

FanwangM commented 2 years ago

It would be beneficial for people to know how they can use our package for practical problems and I think we can make a list for people in the manuscript.

subset selection for HTS/virtual screening/machine learning
validation dataset hold-out (stratified version)

PaulWAyers commented 1 year ago

This supersedes #48