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Very short simulation benchmarks [Kartograf mapper, Lomap scorer, MST] #19

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IAlibay opened this issue Aug 22, 2023 · 0 comments

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IAlibay commented Aug 22, 2023

We should try doing really short FE simulations on the order of ~ 500 ps (maybe something similar to: http://doi.org/10.1002/jcc.26979)

The goal here is to look at enrichment not accuracy.

IAlibay assigned hannahbaumann

IAlibay added the not-started label

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