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This is the Rizzo Lab protocol to (re)build Test sets for benchmarking. It also includes scripts for bookkeeping to identify any unaccounted changes in heavy atom count throughout preparation

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This set of scripts should be preserved on the github.

If a new set of scripts is created, it should be separate and with a new version number.

The tutorials associated with this set of scripts are located at: https://ringo.ams.stonybrook.edu/index.php/Benchmarking_Lab_SOPs under Test_Set_Construction

Choose the tutorial version number which matches the set of scripts used.

NOTE: While Testset construction and Benchmarking tutorials are on same page on wiki, these repositories are deliberately kept separate, as it is not always necessary to run both testset construction in pair with Benchmarking

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This is the Rizzo Lab protocol to (re)build Test sets for benchmarking. It also includes scripts for bookkeeping to identify any unaccounted changes in heavy atom count throughout preparation

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