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SIMPD new implementation #2

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@hadim

See polaris-hub/polaris#20 (comment) for context


In short the idea is to develop a new approach allowing to optimize a dataset split according to multiple objectives and constraints. Such example of GA approach has been proposed at https://chemrxiv.org/engage/chemrxiv/article-details/6406049e6642bf8c8f10e189 and is already implemented at partitio.simpd.

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