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kjappelbaum / mofdscribe

An ecosystem for digital reticular chemistry
https://mofdscribe.readthedocs.io/en/latest/
MIT License
43 stars 7 forks source link

implement diversity metrics #77

Open kjappelbaum opened 2 years ago

kjappelbaum commented 2 years ago

might be nice to implement basic routines to score the "diversity" of datasets under different featurizations -> would also nicely highlight how the diversity depends on the featurization

kjappelbaum commented 2 years ago

partially implemented with #163