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Scott is a python library to compute, for any fully-labelled (edge and node) graph, a canonical tree representative of its isomorphism class, that can be derived into a canonical trace (string) or adjacency matrix

Home Page: https://theplatypus.github.io/scott/

License: MIT License

Dockerfile 6.09% Shell 0.18% Python 93.73%
graph graph-algorithms graph-isomorphism graph-canonization graph-theory python scott

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scott's Issues

Problem using molecules with no bond (CH4)

hello, i am a master thesis student from italy, i'm trying to use your code as part of my project and i found a little issue regarding the molecules with no 'bond', like the methane which is CH4. Infact in the canonization there is a part that return None if there aren't no bond or node, so if i use your code to canonize this molecule it return a None element.

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