VlachosGroup / AIMSim

A Python toolbox to work with molecular similarity
https://vlachosgroup.github.io/AIMSim/README.html
MIT License
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Use SimSIMD for Acclerated Similarity Comparisons #266

Open JacksonBurns opened 10 months ago

JacksonBurns commented 10 months ago

SimSIMD (https://github.com/ashvardanian/SimSIMD) implements a number of our similarity criteria, but like way faster. We should change some of our similarity implementations to use those, rather than the numpy/scipy equivalents.