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This is great Theo! I love how using only a few lines of Wolfram Language code you can search for isomers, and also how you included a plot comparing the time complexity of your algorithm and the SURGE algorithm.
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Thanks Chase! Glad you liked it - it seems interesting that it can be modeling with network systems… hope you are well!
One interesting fact is that all of these applications deal with only simple bonding rules - it would also be interesting to handle more complex cases in a straightforward way somehow ?
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