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An Introduction to Isomer Generation with Wolfram Language

POSTED BY: Theodore Mollano
3 Replies
Posted 1 year ago

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.

POSTED BY: Chase Marangu

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 ?

POSTED BY: Theodore Mollano

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