theochem / Selector

Methods for selecting diverse (molecular) database.
https://selector.qcdevs.org
GNU General Public License v3.0
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Cleaning up the new similarity based methods #218

Open FanwangM opened 1 week ago

FanwangM commented 1 week ago

@marco-2023 mentioned that there are some codes that are used more than once, which can be simplified. This is just a note for future improvement. The current codes work and this issue is low-prioroty.

Related to https://github.com/theochem/Selector/pull/189