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VlachosGroup / AIMSim

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

`AIMSim` v2.1.0 #260

Closed JacksonBurns closed 1 year ago

JacksonBurns commented 1 year ago

This PR contains a number of small patches and bug fixes for AIMSim version 2.1.0 and seeks to implement the extended similarity metric.

This PR will also add a conda package to conda-forge (part of the reason that the GUI libraries have been made internal).

JacksonBurns commented 1 year ago

This package is now ready for packaging on conda, which I will do in a follow up PR.