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Analysis Functions #6

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colemathis opened this issue Jul 16, 2024 · 0 comments

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colemathis commented Jul 16, 2024

We need some analysis functions, here's a couple examples of what we used in the last paper

Jaccard Index (composition)
https://github.com/mathis-group/AlChemy/blob/1e02a86c40d3acaadcb8d976a1577c1566e5199e/PyAlChemy/analysis.py#L345

Percent similarity
https://github.com/mathis-group/AlChemy/blob/1e02a86c40d3acaadcb8d976a1577c1566e5199e/PyAlChemy/analysis.py#L366C5-L366C23

AgentElement added the enhancement label

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