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  • Discussion on paper figures

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discussion on adding new test set result to parsley paper

MG - 1. test set results should be parallel to the training set results. 2. For physical properties part, numbers on the scatter plots better to be gathered into a table. 3. Figure5 could be switched to histogram.

CIB - global measures are needed. Quantify the improvement into a table. ((1) how bond length rmsd improved overall (2) how many bonds got better, …)

MG- new bar plot for “rmse comparison for bonds” is needed. Owen and Lee-Ping suggested gray dot with green or red arrow.