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Post AezqJW4IaAAHq3v0mu by [email protected]
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Post #AezqJSrQVZ5NtGsBo8 by [email protected]
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After interviews it seems that most computational chemistry relies on subgraph …
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@j2kun - I think with mass spectroscopy and such it can be easier to figure out…
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For reference, of the 70 repositories that contain "nauty" in the cod…
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Also note that "StructureGenerator/surge" was written by Brendan McKa…
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