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VlachosGroup / AIMSim

A Python toolbox to work with molecular similarity
https://vlachosgroup.github.io/AIMSim/README.html
MIT License
31 stars 4 forks source link

Adding Orientation Sensitive Biological Descriptor #227

Closed JacksonBurns closed 1 year ago

JacksonBurns commented 2 years ago

This might be a longer term addition, but this paper puts forward a sinilarity metric for large biological molecules which is sensitive to orientation. Potentially quite interesting.

JacksonBurns commented 1 year ago

This paper was ultimately withdrawn -- will not implement.