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Move SMARTS patterns to a .csv file#114

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Aariq wants to merge 4 commits intomasterMeredith-Lab/volcalc:masterfrom smarts-dfMeredith-Lab/volcalc:smarts-dfCopy head branch name to clipboard

+171-85

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Commits on Aug 6, 2024

• add dataset documenting SMARTS strings and other functions used

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• define SMARTS patterns in internal dataset rather than in get_fx_groups() code

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• update NEWS

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Commits on Aug 13, 2024

• add functional group descriptions to data

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