Merge pull request #131 from samplchallenges/revert-130-update_plots

Revert "Fix 2 submissions and update plots/stats"
samplchallenges · Apr 9, 2021 · e862045 · e862045
2 parents 0016587 + dac7ea0
commit e862045
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diff --git a/...l_property/logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/COSMO-RS.pdf b/...l_property/logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/COSMO-RS.pdf
diff --git a/...l_property/logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/Chemprop.pdf b/...l_property/logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/Chemprop.pdf
diff --git a/...ty/logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/ClassicalGSG_DB1.pdf b/...ty/logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/ClassicalGSG_DB1.pdf
diff --git a/...ty/logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/ClassicalGSG_DB2.pdf b/...ty/logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/ClassicalGSG_DB2.pdf
diff --git a/...ty/logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/ClassicalGSG_DB3.pdf b/...ty/logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/ClassicalGSG_DB3.pdf
diff --git a/...ty/logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/ClassicalGSG_DB4.pdf b/...ty/logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/ClassicalGSG_DB4.pdf
diff --git a/...roperty/logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/EC_RISM_wet.pdf b/...roperty/logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/EC_RISM_wet.pdf
diff --git a/...gP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/Ensemble_EPI_physprop.pdf b/...gP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/Ensemble_EPI_physprop.pdf
diff --git a/...rty/logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/Ensemble_Martel.pdf b/...rty/logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/Ensemble_Martel.pdf
diff --git a/...cal_property/logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/GROVER.pdf b/...cal_property/logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/GROVER.pdf
diff --git a/.../analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/MD-EE-MCC_GAFF-TIP4P-Ew.pdf b/.../analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/MD-EE-MCC_GAFF-TIP4P-Ew.pdf
diff --git a/...rty/logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/MD_CGenFF_TIP3P.pdf b/...rty/logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/MD_CGenFF_TIP3P.pdf
diff --git a/...perty/logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/MD_GAFF_TIP3P.pdf b/...perty/logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/MD_GAFF_TIP3P.pdf
diff --git a/...alysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/MD_LigParGen_OPLS-AA_TIP4P.pdf b/...alysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/MD_LigParGen_OPLS-AA_TIP4P.pdf
diff --git a/...ty/logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/MD_OPLS-AA_TIP4P.pdf b/...ty/logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/MD_OPLS-AA_TIP4P.pdf
diff --git a/.../logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/NES-1_GAFF2_OPC3_B.pdf b/.../logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/NES-1_GAFF2_OPC3_B.pdf
diff --git a/.../logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/NES-1_GAFF2_OPC3_G.pdf b/.../logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/NES-1_GAFF2_OPC3_G.pdf
diff --git a/.../logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/NES-1_GAFF2_OPC3_J.pdf b/.../logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/NES-1_GAFF2_OPC3_J.pdf
diff --git a/...ogP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/NULL0_mean_clogP_FDA.pdf b/...ogP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/NULL0_mean_clogP_FDA.pdf
diff --git a/...alysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/QSPR_Mordred2D_TPOT_AutoML.pdf b/...alysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/QSPR_Mordred2D_TPOT_AutoML.pdf
diff --git a/...perty/logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/REF1_ChemAxon.pdf b/...perty/logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/REF1_ChemAxon.pdf
diff --git a/...rty/logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/TFE-NHLBI-NN-IN.pdf b/...rty/logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/TFE-NHLBI-NN-IN.pdf
diff --git a/...y/logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/TFE-NHLBI-TZVP-QM.pdf b/...y/logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/TFE-NHLBI-TZVP-QM.pdf
diff --git a/...logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/TFE-SM12-vacuum-opt.pdf b/...logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/TFE-SM12-vacuum-opt.pdf
diff --git a/...logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/TFE-SM8-solvent-opt.pdf b/...logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/TFE-SM8-solvent-opt.pdf
diff --git a/.../logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/TFE-SM8-vacuum-opt.pdf b/.../logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/TFE-SM8-vacuum-opt.pdf
diff --git a/...logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/TFE-SMD-solvent-opt.pdf b/...logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/TFE-SMD-solvent-opt.pdf
diff --git a/.../logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/TFE-SMD-vacuum-opt.pdf b/.../logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/TFE-SMD-vacuum-opt.pdf
diff --git a/...ty/logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/TFE_Attentive_FP.pdf b/...ty/logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/TFE_Attentive_FP.pdf
diff --git a/...erty/logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/TFE_IEFPCM_MST.pdf b/...erty/logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/TFE_IEFPCM_MST.pdf
diff --git a/...alysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/TFE_MD_neat_oct_GAFF_TIP4P.pdf b/...alysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/TFE_MD_neat_oct_GAFF_TIP4P.pdf
diff --git a/...al_property/logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/TFE_MLR.pdf b/...al_property/logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/TFE_MLR.pdf
diff --git a/...roperty/logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/TFE_b3lypd3.pdf b/...roperty/logP/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/TFE_b3lypd3.pdf
diff --git a/...P/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/TFE_wet_oct_GAFF_TIP4P.pdf b/...P/analysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/TFE_wet_oct_GAFF_TIP4P.pdf
diff --git a/...alysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/ffsampled_deeplearning_cl1.pdf b/...alysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/ffsampled_deeplearning_cl1.pdf
diff --git a/...alysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/ffsampled_deeplearning_cl2.pdf b/...alysis/analysis_outputs_all_submissions/AbsoluteErrorPlots/ffsampled_deeplearning_cl2.pdf
diff --git a/physical_property/logP/analysis/analysis_outputs_all_submissions/QQPlots/COSMO-RS_QQ.pdf b/physical_property/logP/analysis/analysis_outputs_all_submissions/QQPlots/COSMO-RS_QQ.pdf
diff --git a/physical_property/logP/analysis/analysis_outputs_all_submissions/QQPlots/Chemprop_QQ.pdf b/physical_property/logP/analysis/analysis_outputs_all_submissions/QQPlots/Chemprop_QQ.pdf
diff --git a/...l_property/logP/analysis/analysis_outputs_all_submissions/QQPlots/ClassicalGSG_DB1_QQ.pdf b/...l_property/logP/analysis/analysis_outputs_all_submissions/QQPlots/ClassicalGSG_DB1_QQ.pdf
diff --git a/...l_property/logP/analysis/analysis_outputs_all_submissions/QQPlots/ClassicalGSG_DB2_QQ.pdf b/...l_property/logP/analysis/analysis_outputs_all_submissions/QQPlots/ClassicalGSG_DB2_QQ.pdf
diff --git a/...l_property/logP/analysis/analysis_outputs_all_submissions/QQPlots/ClassicalGSG_DB3_QQ.pdf b/...l_property/logP/analysis/analysis_outputs_all_submissions/QQPlots/ClassicalGSG_DB3_QQ.pdf
diff --git a/...l_property/logP/analysis/analysis_outputs_all_submissions/QQPlots/ClassicalGSG_DB4_QQ.pdf b/...l_property/logP/analysis/analysis_outputs_all_submissions/QQPlots/ClassicalGSG_DB4_QQ.pdf
diff --git a/physical_property/logP/analysis/analysis_outputs_all_submissions/QQPlots/EC_RISM_wet_QQ.pdf b/physical_property/logP/analysis/analysis_outputs_all_submissions/QQPlots/EC_RISM_wet_QQ.pdf
diff --git a/...perty/logP/analysis/analysis_outputs_all_submissions/QQPlots/Ensemble_EPI_physprop_QQ.pdf b/...perty/logP/analysis/analysis_outputs_all_submissions/QQPlots/Ensemble_EPI_physprop_QQ.pdf
diff --git a/...al_property/logP/analysis/analysis_outputs_all_submissions/QQPlots/Ensemble_Martel_QQ.pdf b/...al_property/logP/analysis/analysis_outputs_all_submissions/QQPlots/Ensemble_Martel_QQ.pdf
diff --git a/physical_property/logP/analysis/analysis_outputs_all_submissions/QQPlots/GROVER_QQ.pdf b/physical_property/logP/analysis/analysis_outputs_all_submissions/QQPlots/GROVER_QQ.pdf
diff --git a/...rty/logP/analysis/analysis_outputs_all_submissions/QQPlots/MD-EE-MCC_GAFF-TIP4P-Ew_QQ.pdf b/...rty/logP/analysis/analysis_outputs_all_submissions/QQPlots/MD-EE-MCC_GAFF-TIP4P-Ew_QQ.pdf
diff --git a/...al_property/logP/analysis/analysis_outputs_all_submissions/QQPlots/MD_CGenFF_TIP3P_QQ.pdf b/...al_property/logP/analysis/analysis_outputs_all_submissions/QQPlots/MD_CGenFF_TIP3P_QQ.pdf
diff --git a/...ical_property/logP/analysis/analysis_outputs_all_submissions/QQPlots/MD_GAFF_TIP3P_QQ.pdf b/...ical_property/logP/analysis/analysis_outputs_all_submissions/QQPlots/MD_GAFF_TIP3P_QQ.pdf
diff --git a/.../logP/analysis/analysis_outputs_all_submissions/QQPlots/MD_LigParGen_OPLS-AA_TIP4P_QQ.pdf b/.../logP/analysis/analysis_outputs_all_submissions/QQPlots/MD_LigParGen_OPLS-AA_TIP4P_QQ.pdf
diff --git a/...l_property/logP/analysis/analysis_outputs_all_submissions/QQPlots/MD_OPLS-AA_TIP4P_QQ.pdf b/...l_property/logP/analysis/analysis_outputs_all_submissions/QQPlots/MD_OPLS-AA_TIP4P_QQ.pdf
diff --git a/...property/logP/analysis/analysis_outputs_all_submissions/QQPlots/NES-1_GAFF2_OPC3_B_QQ.pdf b/...property/logP/analysis/analysis_outputs_all_submissions/QQPlots/NES-1_GAFF2_OPC3_B_QQ.pdf
diff --git a/...property/logP/analysis/analysis_outputs_all_submissions/QQPlots/NES-1_GAFF2_OPC3_G_QQ.pdf b/...property/logP/analysis/analysis_outputs_all_submissions/QQPlots/NES-1_GAFF2_OPC3_G_QQ.pdf
diff --git a/...property/logP/analysis/analysis_outputs_all_submissions/QQPlots/NES-1_GAFF2_OPC3_J_QQ.pdf b/...property/logP/analysis/analysis_outputs_all_submissions/QQPlots/NES-1_GAFF2_OPC3_J_QQ.pdf
diff --git a/...operty/logP/analysis/analysis_outputs_all_submissions/QQPlots/NULL0_mean_clogP_FDA_QQ.pdf b/...operty/logP/analysis/analysis_outputs_all_submissions/QQPlots/NULL0_mean_clogP_FDA_QQ.pdf
diff --git a/physical_property/logP/analysis/analysis_outputs_all_submissions/QQPlots/QQplot_dict.pickle b/physical_property/logP/analysis/analysis_outputs_all_submissions/QQPlots/QQplot_dict.pickle
diff --git a/.../logP/analysis/analysis_outputs_all_submissions/QQPlots/QSPR_Mordred2D_TPOT_AutoML_QQ.pdf b/.../logP/analysis/analysis_outputs_all_submissions/QQPlots/QSPR_Mordred2D_TPOT_AutoML_QQ.pdf
diff --git a/...ical_property/logP/analysis/analysis_outputs_all_submissions/QQPlots/REF1_ChemAxon_QQ.pdf b/...ical_property/logP/analysis/analysis_outputs_all_submissions/QQPlots/REF1_ChemAxon_QQ.pdf
diff --git a/...al_property/logP/analysis/analysis_outputs_all_submissions/QQPlots/TFE-NHLBI-NN-IN_QQ.pdf b/...al_property/logP/analysis/analysis_outputs_all_submissions/QQPlots/TFE-NHLBI-NN-IN_QQ.pdf
diff --git a/..._property/logP/analysis/analysis_outputs_all_submissions/QQPlots/TFE-NHLBI-TZVP-QM_QQ.pdf b/..._property/logP/analysis/analysis_outputs_all_submissions/QQPlots/TFE-NHLBI-TZVP-QM_QQ.pdf
diff --git a/...roperty/logP/analysis/analysis_outputs_all_submissions/QQPlots/TFE-SM12-vacuum-opt_QQ.pdf b/...roperty/logP/analysis/analysis_outputs_all_submissions/QQPlots/TFE-SM12-vacuum-opt_QQ.pdf
diff --git a/...roperty/logP/analysis/analysis_outputs_all_submissions/QQPlots/TFE-SM8-solvent-opt_QQ.pdf b/...roperty/logP/analysis/analysis_outputs_all_submissions/QQPlots/TFE-SM8-solvent-opt_QQ.pdf
diff --git a/...property/logP/analysis/analysis_outputs_all_submissions/QQPlots/TFE-SM8-vacuum-opt_QQ.pdf b/...property/logP/analysis/analysis_outputs_all_submissions/QQPlots/TFE-SM8-vacuum-opt_QQ.pdf
diff --git a/...roperty/logP/analysis/analysis_outputs_all_submissions/QQPlots/TFE-SMD-solvent-opt_QQ.pdf b/...roperty/logP/analysis/analysis_outputs_all_submissions/QQPlots/TFE-SMD-solvent-opt_QQ.pdf
diff --git a/...property/logP/analysis/analysis_outputs_all_submissions/QQPlots/TFE-SMD-vacuum-opt_QQ.pdf b/...property/logP/analysis/analysis_outputs_all_submissions/QQPlots/TFE-SMD-vacuum-opt_QQ.pdf
diff --git a/...l_property/logP/analysis/analysis_outputs_all_submissions/QQPlots/TFE_Attentive_FP_QQ.pdf b/...l_property/logP/analysis/analysis_outputs_all_submissions/QQPlots/TFE_Attentive_FP_QQ.pdf
diff --git a/...cal_property/logP/analysis/analysis_outputs_all_submissions/QQPlots/TFE_IEFPCM_MST_QQ.pdf b/...cal_property/logP/analysis/analysis_outputs_all_submissions/QQPlots/TFE_IEFPCM_MST_QQ.pdf
diff --git a/.../logP/analysis/analysis_outputs_all_submissions/QQPlots/TFE_MD_neat_oct_GAFF_TIP4P_QQ.pdf b/.../logP/analysis/analysis_outputs_all_submissions/QQPlots/TFE_MD_neat_oct_GAFF_TIP4P_QQ.pdf
diff --git a/physical_property/logP/analysis/analysis_outputs_all_submissions/QQPlots/TFE_MLR_QQ.pdf b/physical_property/logP/analysis/analysis_outputs_all_submissions/QQPlots/TFE_MLR_QQ.pdf
diff --git a/physical_property/logP/analysis/analysis_outputs_all_submissions/QQPlots/TFE_b3lypd3_QQ.pdf b/physical_property/logP/analysis/analysis_outputs_all_submissions/QQPlots/TFE_b3lypd3_QQ.pdf
diff --git a/...erty/logP/analysis/analysis_outputs_all_submissions/QQPlots/TFE_wet_oct_GAFF_TIP4P_QQ.pdf b/...erty/logP/analysis/analysis_outputs_all_submissions/QQPlots/TFE_wet_oct_GAFF_TIP4P_QQ.pdf
diff --git a/.../logP/analysis/analysis_outputs_all_submissions/QQPlots/ffsampled_deeplearning_cl1_QQ.pdf b/.../logP/analysis/analysis_outputs_all_submissions/QQPlots/ffsampled_deeplearning_cl1_QQ.pdf
diff --git a/.../logP/analysis/analysis_outputs_all_submissions/QQPlots/ffsampled_deeplearning_cl2_QQ.pdf b/.../logP/analysis/analysis_outputs_all_submissions/QQPlots/ffsampled_deeplearning_cl2_QQ.pdf
diff --git a/...ty/logP/analysis/analysis_outputs_all_submissions/StatisticsTables/MAE_vs_method_plot.pdf b/...ty/logP/analysis/analysis_outputs_all_submissions/StatisticsTables/MAE_vs_method_plot.pdf
diff --git a/...utputs_all_submissions/StatisticsTables/MAE_vs_method_plot_colored_by_method_category.pdf b/...utputs_all_submissions/StatisticsTables/MAE_vs_method_plot_colored_by_method_category.pdf
diff --git a/.../analysis_outputs_all_submissions/StatisticsTables/MAE_vs_method_plot_colored_by_type.pdf b/.../analysis_outputs_all_submissions/StatisticsTables/MAE_vs_method_plot_colored_by_type.pdf
diff --git a/...is_outputs_all_submissions/StatisticsTables/MAE_vs_method_plot_for_Empirical_category.pdf b/...is_outputs_all_submissions/StatisticsTables/MAE_vs_method_plot_for_Empirical_category.pdf
diff --git a/..._outputs_all_submissions/StatisticsTables/MAE_vs_method_plot_for_Physical_MM_category.pdf b/..._outputs_all_submissions/StatisticsTables/MAE_vs_method_plot_for_Physical_MM_category.pdf
diff --git a/..._outputs_all_submissions/StatisticsTables/MAE_vs_method_plot_for_Physical_QM_category.pdf b/..._outputs_all_submissions/StatisticsTables/MAE_vs_method_plot_for_Physical_QM_category.pdf
diff --git a/..._all_submissions/StatisticsTables/MAE_vs_method_plot_physical_methods_colored_by_type.pdf b/..._all_submissions/StatisticsTables/MAE_vs_method_plot_physical_methods_colored_by_type.pdf
diff --git a/...ions/StatisticsTables/MAE_vs_method_plot_physical_methoods_colored_by_method_category.pdf b/...ions/StatisticsTables/MAE_vs_method_plot_physical_methoods_colored_by_method_category.pdf
diff --git a/...icsTables/MethodCategoryComparison/error_distribution_of_method_categories_ridge_plot.pdf b/...icsTables/MethodCategoryComparison/error_distribution_of_method_categories_ridge_plot.pdf
diff --git a/...atisticsTables/MethodCategoryComparison/summary_statistics_of_method_categories_top10.csv b/...atisticsTables/MethodCategoryComparison/summary_statistics_of_method_categories_top10.csv
@@ -0,0 +1,4 @@
+category,RMSE_mean,RMSE_std,MAE_mean,MAE_std,kendall_tau_mean,kendall_tau_std,R2_mean,R2_std,N
+Physical (MM),1.609003952642426,0.4220900478620595,1.3465000000000003,0.35806374316448497,0.3801091094728714,0.15327789233747147,0.30729231138110485,0.1861881834500111,10
+Empirical,0.7030973978060369,0.09474556101228618,0.5238636363636363,0.07136934610112204,0.44939849948823857,0.07109361346595151,0.4213150488096925,0.06703051155639939,10
+Physical (QM),1.5359475096676838,0.7629129266414152,1.2903636363636362,0.6951668646425616,0.3423611072223265,0.3037116850284177,0.40810874166822886,0.07872159080962186,10
diff --git a/...tatisticsTables/MethodCategoryComparison/summary_statistics_of_method_categories_top5.csv b/...tatisticsTables/MethodCategoryComparison/summary_statistics_of_method_categories_top5.csv
@@ -0,0 +1,4 @@
+category,RMSE_mean,RMSE_std,MAE_mean,MAE_std,kendall_tau_mean,kendall_tau_std,R2_mean,R2_std,N
+Physical (MM),1.2904536085992784,0.13888121338039516,1.0746363636363638,0.17131069835798582,0.4951402637972354,0.0856142191011335,0.4560806841940506,0.11094855941459851,5
+Empirical,0.6226187914768685,0.0587408073066453,0.4649090909090908,0.03979337126575491,0.5087117698402317,0.04331673119563076,0.4738449561008256,0.05049486823818166,5
+Physical (QM),0.8530324204869759,0.14481280454884038,0.6631818181818183,0.12910531289680463,0.46745375612345186,0.044504489381568424,0.4625225543720256,0.04013205219129201,5
diff --git a/...y/logP/analysis/analysis_outputs_all_submissions/StatisticsTables/RMSE_vs_method_plot.pdf b/...y/logP/analysis/analysis_outputs_all_submissions/StatisticsTables/RMSE_vs_method_plot.pdf
diff --git a/...tputs_all_submissions/StatisticsTables/RMSE_vs_method_plot_colored_by_method_category.pdf b/...tputs_all_submissions/StatisticsTables/RMSE_vs_method_plot_colored_by_method_category.pdf
diff --git a/...analysis_outputs_all_submissions/StatisticsTables/RMSE_vs_method_plot_colored_by_type.pdf b/...analysis_outputs_all_submissions/StatisticsTables/RMSE_vs_method_plot_colored_by_type.pdf
diff --git a/...s_outputs_all_submissions/StatisticsTables/RMSE_vs_method_plot_for_Empirical_category.pdf b/...s_outputs_all_submissions/StatisticsTables/RMSE_vs_method_plot_for_Empirical_category.pdf
diff --git a/...outputs_all_submissions/StatisticsTables/RMSE_vs_method_plot_for_Physical_MM_category.pdf b/...outputs_all_submissions/StatisticsTables/RMSE_vs_method_plot_for_Physical_MM_category.pdf
diff --git a/...outputs_all_submissions/StatisticsTables/RMSE_vs_method_plot_for_Physical_QM_category.pdf b/...outputs_all_submissions/StatisticsTables/RMSE_vs_method_plot_for_Physical_QM_category.pdf
diff --git a/...all_submissions/StatisticsTables/RMSE_vs_method_plot_physical_methods_colored_by_type.pdf b/...all_submissions/StatisticsTables/RMSE_vs_method_plot_physical_methods_colored_by_type.pdf
diff --git a/...ons/StatisticsTables/RMSE_vs_method_plot_physical_methoods_colored_by_method_category.pdf b/...ons/StatisticsTables/RMSE_vs_method_plot_physical_methoods_colored_by_method_category.pdf
diff --git a/...gP/analysis/analysis_outputs_all_submissions/StatisticsTables/Rsquared_vs_method_plot.pdf b/...gP/analysis/analysis_outputs_all_submissions/StatisticsTables/Rsquared_vs_method_plot.pdf
diff --git a/...s_all_submissions/StatisticsTables/Rsquared_vs_method_plot_colored_by_method_category.pdf b/...s_all_submissions/StatisticsTables/Rsquared_vs_method_plot_colored_by_method_category.pdf
diff --git a/...ysis_outputs_all_submissions/StatisticsTables/Rsquared_vs_method_plot_colored_by_type.pdf b/...ysis_outputs_all_submissions/StatisticsTables/Rsquared_vs_method_plot_colored_by_type.pdf
diff --git a/...tputs_all_submissions/StatisticsTables/Rsquared_vs_method_plot_for_Empirical_category.pdf b/...tputs_all_submissions/StatisticsTables/Rsquared_vs_method_plot_for_Empirical_category.pdf
diff --git a/...uts_all_submissions/StatisticsTables/Rsquared_vs_method_plot_for_Physical_MM_category.pdf b/...uts_all_submissions/StatisticsTables/Rsquared_vs_method_plot_for_Physical_MM_category.pdf
diff --git a/...uts_all_submissions/StatisticsTables/Rsquared_vs_method_plot_for_Physical_QM_category.pdf b/...uts_all_submissions/StatisticsTables/Rsquared_vs_method_plot_for_Physical_QM_category.pdf
diff --git a/...submissions/StatisticsTables/Rsquared_vs_method_plot_physical_methods_colored_by_type.pdf b/...submissions/StatisticsTables/Rsquared_vs_method_plot_physical_methods_colored_by_type.pdf
diff --git a/...StatisticsTables/Rsquared_vs_method_plot_physical_methoods_colored_by_method_category.pdf b/...StatisticsTables/Rsquared_vs_method_plot_physical_methoods_colored_by_method_category.pdf
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diff --git a/...s_all_submissions/StatisticsTables/kendalls_tau_vs_method_plot_for_Empirical_category.pdf b/...s_all_submissions/StatisticsTables/kendalls_tau_vs_method_plot_for_Empirical_category.pdf
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diff --git a/...property/logP/analysis/analysis_outputs_all_submissions/logPCorrelationPlots/Chemprop.pdf b/...property/logP/analysis/analysis_outputs_all_submissions/logPCorrelationPlots/Chemprop.pdf
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diff --git a/...ogP/analysis/analysis_outputs_all_submissions/logPCorrelationPlots/NES-1_GAFF2_OPC3_J.pdf b/...ogP/analysis/analysis_outputs_all_submissions/logPCorrelationPlots/NES-1_GAFF2_OPC3_J.pdf
diff --git a/...ysis/analysis_outputs_all_submissions/logPCorrelationPlots/QSPR_Mordred2D_TPOT_AutoML.pdf b/...ysis/analysis_outputs_all_submissions/logPCorrelationPlots/QSPR_Mordred2D_TPOT_AutoML.pdf
diff --git a/...rty/logP/analysis/analysis_outputs_all_submissions/logPCorrelationPlots/REF1_ChemAxon.pdf b/...rty/logP/analysis/analysis_outputs_all_submissions/logPCorrelationPlots/REF1_ChemAxon.pdf
diff --git a/...y/logP/analysis/analysis_outputs_all_submissions/logPCorrelationPlots/TFE-NHLBI-NN-IN.pdf b/...y/logP/analysis/analysis_outputs_all_submissions/logPCorrelationPlots/TFE-NHLBI-NN-IN.pdf
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diff --git a/...gP/analysis/analysis_outputs_all_submissions/logPCorrelationPlots/TFE-SM12-vacuum-opt.pdf b/...gP/analysis/analysis_outputs_all_submissions/logPCorrelationPlots/TFE-SM12-vacuum-opt.pdf
diff --git a/...gP/analysis/analysis_outputs_all_submissions/logPCorrelationPlots/TFE-SM8-solvent-opt.pdf b/...gP/analysis/analysis_outputs_all_submissions/logPCorrelationPlots/TFE-SM8-solvent-opt.pdf
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diff --git a/...ysis/analysis_outputs_all_submissions/logPCorrelationPlots/TFE_MD_neat_oct_GAFF_TIP4P.pdf b/...ysis/analysis_outputs_all_submissions/logPCorrelationPlots/TFE_MD_neat_oct_GAFF_TIP4P.pdf
diff --git a/..._property/logP/analysis/analysis_outputs_all_submissions/logPCorrelationPlots/TFE_MLR.pdf b/..._property/logP/analysis/analysis_outputs_all_submissions/logPCorrelationPlots/TFE_MLR.pdf
diff --git a/...perty/logP/analysis/analysis_outputs_all_submissions/logPCorrelationPlots/TFE_b3lypd3.pdf b/...perty/logP/analysis/analysis_outputs_all_submissions/logPCorrelationPlots/TFE_b3lypd3.pdf
diff --git a/...analysis/analysis_outputs_all_submissions/logPCorrelationPlots/TFE_wet_oct_GAFF_TIP4P.pdf b/...analysis/analysis_outputs_all_submissions/logPCorrelationPlots/TFE_wet_oct_GAFF_TIP4P.pdf
diff --git a/...ysis/analysis_outputs_all_submissions/logPCorrelationPlots/ffsampled_deeplearning_cl1.pdf b/...ysis/analysis_outputs_all_submissions/logPCorrelationPlots/ffsampled_deeplearning_cl1.pdf
diff --git a/...ysis/analysis_outputs_all_submissions/logPCorrelationPlots/ffsampled_deeplearning_cl2.pdf b/...ysis/analysis_outputs_all_submissions/logPCorrelationPlots/ffsampled_deeplearning_cl2.pdf
diff --git a/...y/logP/analysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/COSMO-RS.pdf b/...y/logP/analysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/COSMO-RS.pdf
diff --git a/...y/logP/analysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/Chemprop.pdf b/...y/logP/analysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/Chemprop.pdf
diff --git a/...nalysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/ClassicalGSG_DB1.pdf b/...nalysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/ClassicalGSG_DB1.pdf
diff --git a/...nalysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/ClassicalGSG_DB2.pdf b/...nalysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/ClassicalGSG_DB2.pdf
diff --git a/...nalysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/ClassicalGSG_DB3.pdf b/...nalysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/ClassicalGSG_DB3.pdf
diff --git a/...nalysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/ClassicalGSG_DB4.pdf b/...nalysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/ClassicalGSG_DB4.pdf
diff --git a/...ogP/analysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/EC_RISM_wet.pdf b/...ogP/analysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/EC_RISM_wet.pdf
diff --git a/...is/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/Ensemble_EPI_physprop.pdf b/...is/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/Ensemble_EPI_physprop.pdf
diff --git a/...analysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/Ensemble_Martel.pdf b/...analysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/Ensemble_Martel.pdf
diff --git a/...rty/logP/analysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/GROVER.pdf b/...rty/logP/analysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/GROVER.pdf
diff --git a/.../analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/MD-EE-MCC_GAFF-TIP4P-Ew.pdf b/.../analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/MD-EE-MCC_GAFF-TIP4P-Ew.pdf
diff --git a/...analysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/MD_CGenFF_TIP3P.pdf b/...analysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/MD_CGenFF_TIP3P.pdf
diff --git a/...P/analysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/MD_GAFF_TIP3P.pdf b/...P/analysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/MD_GAFF_TIP3P.pdf
diff --git a/...alysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/MD_LigParGen_OPLS-AA_TIP4P.pdf b/...alysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/MD_LigParGen_OPLS-AA_TIP4P.pdf
diff --git a/...nalysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/MD_OPLS-AA_TIP4P.pdf b/...nalysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/MD_OPLS-AA_TIP4P.pdf
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diff --git a/...lysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/NES-1_GAFF2_OPC3_J.pdf b/...lysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/NES-1_GAFF2_OPC3_J.pdf
diff --git a/...alysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/QSPR_Mordred2D_TPOT_AutoML.pdf b/...alysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/QSPR_Mordred2D_TPOT_AutoML.pdf
diff --git a/...P/analysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/REF1_ChemAxon.pdf b/...P/analysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/REF1_ChemAxon.pdf
diff --git a/...analysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/TFE-NHLBI-NN-IN.pdf b/...analysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/TFE-NHLBI-NN-IN.pdf
diff --git a/...alysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/TFE-NHLBI-TZVP-QM.pdf b/...alysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/TFE-NHLBI-TZVP-QM.pdf
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diff --git a/...ysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/TFE-SM8-solvent-opt.pdf b/...ysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/TFE-SM8-solvent-opt.pdf
diff --git a/...lysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/TFE-SM8-vacuum-opt.pdf b/...lysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/TFE-SM8-vacuum-opt.pdf
diff --git a/...ysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/TFE-SMD-solvent-opt.pdf b/...ysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/TFE-SMD-solvent-opt.pdf
diff --git a/...lysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/TFE-SMD-vacuum-opt.pdf b/...lysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/TFE-SMD-vacuum-opt.pdf
diff --git a/...nalysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/TFE_Attentive_FP.pdf b/...nalysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/TFE_Attentive_FP.pdf
diff --git a/.../analysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/TFE_IEFPCM_MST.pdf b/.../analysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/TFE_IEFPCM_MST.pdf
diff --git a/...alysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/TFE_MD_neat_oct_GAFF_TIP4P.pdf b/...alysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/TFE_MD_neat_oct_GAFF_TIP4P.pdf
diff --git a/...ty/logP/analysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/TFE_MLR.pdf b/...ty/logP/analysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/TFE_MLR.pdf
diff --git a/...ogP/analysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/TFE_b3lypd3.pdf b/...ogP/analysis/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/TFE_b3lypd3.pdf
diff --git a/...s/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/TFE_wet_oct_GAFF_TIP4P.pdf b/...s/analysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/TFE_wet_oct_GAFF_TIP4P.pdf
diff --git a/...alysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/ffsampled_deeplearning_cl1.pdf b/...alysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/ffsampled_deeplearning_cl1.pdf
diff --git a/...alysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/ffsampled_deeplearning_cl2.pdf b/...alysis_outputs_all_submissions/logPCorrelationPlotsWithSEM/ffsampled_deeplearning_cl2.pdf
diff --git a/...al_property/logP/analysis/analysis_outputs_all_submissions/logP_submission_collection.csv b/...al_property/logP/analysis/analysis_outputs_all_submissions/logP_submission_collection.csv
@@ -131,28 +131,28 @@
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diff --git a/...roperty/logP/analysis/analysis_outputs_ranked_submissions/AbsoluteErrorPlots/COSMO-RS.pdf b/...roperty/logP/analysis/analysis_outputs_ranked_submissions/AbsoluteErrorPlots/COSMO-RS.pdf
diff --git a/...roperty/logP/analysis/analysis_outputs_ranked_submissions/AbsoluteErrorPlots/Chemprop.pdf b/...roperty/logP/analysis/analysis_outputs_ranked_submissions/AbsoluteErrorPlots/Chemprop.pdf
diff --git a/...logP/analysis/analysis_outputs_ranked_submissions/AbsoluteErrorPlots/ClassicalGSG_DB3.pdf b/...logP/analysis/analysis_outputs_ranked_submissions/AbsoluteErrorPlots/ClassicalGSG_DB3.pdf
diff --git a/...erty/logP/analysis/analysis_outputs_ranked_submissions/AbsoluteErrorPlots/EC_RISM_wet.pdf b/...erty/logP/analysis/analysis_outputs_ranked_submissions/AbsoluteErrorPlots/EC_RISM_wet.pdf
diff --git a/.../logP/analysis/analysis_outputs_ranked_submissions/AbsoluteErrorPlots/Ensemble_Martel.pdf b/.../logP/analysis/analysis_outputs_ranked_submissions/AbsoluteErrorPlots/Ensemble_Martel.pdf
diff --git a/...alysis/analysis_outputs_ranked_submissions/AbsoluteErrorPlots/MD-EE-MCC_GAFF-TIP4P-Ew.pdf b/...alysis/analysis_outputs_ranked_submissions/AbsoluteErrorPlots/MD-EE-MCC_GAFF-TIP4P-Ew.pdf
diff --git a/.../logP/analysis/analysis_outputs_ranked_submissions/AbsoluteErrorPlots/MD_CGenFF_TIP3P.pdf b/.../logP/analysis/analysis_outputs_ranked_submissions/AbsoluteErrorPlots/MD_CGenFF_TIP3P.pdf
diff --git a/...gP/analysis/analysis_outputs_ranked_submissions/AbsoluteErrorPlots/NES-1_GAFF2_OPC3_B.pdf b/...gP/analysis/analysis_outputs_ranked_submissions/AbsoluteErrorPlots/NES-1_GAFF2_OPC3_B.pdf
diff --git a/...sis/analysis_outputs_ranked_submissions/AbsoluteErrorPlots/QSPR_Mordred2D_TPOT_AutoML.pdf b/...sis/analysis_outputs_ranked_submissions/AbsoluteErrorPlots/QSPR_Mordred2D_TPOT_AutoML.pdf
diff --git a/...ogP/analysis/analysis_outputs_ranked_submissions/AbsoluteErrorPlots/TFE-NHLBI-TZVP-QM.pdf b/...ogP/analysis/analysis_outputs_ranked_submissions/AbsoluteErrorPlots/TFE-NHLBI-TZVP-QM.pdf
diff --git a/...P/analysis/analysis_outputs_ranked_submissions/AbsoluteErrorPlots/TFE-SMD-solvent-opt.pdf b/...P/analysis/analysis_outputs_ranked_submissions/AbsoluteErrorPlots/TFE-SMD-solvent-opt.pdf
diff --git a/...logP/analysis/analysis_outputs_ranked_submissions/AbsoluteErrorPlots/TFE_Attentive_FP.pdf b/...logP/analysis/analysis_outputs_ranked_submissions/AbsoluteErrorPlots/TFE_Attentive_FP.pdf
diff --git a/...y/logP/analysis/analysis_outputs_ranked_submissions/AbsoluteErrorPlots/TFE_IEFPCM_MST.pdf b/...y/logP/analysis/analysis_outputs_ranked_submissions/AbsoluteErrorPlots/TFE_IEFPCM_MST.pdf
diff --git a/...property/logP/analysis/analysis_outputs_ranked_submissions/AbsoluteErrorPlots/TFE_MLR.pdf b/...property/logP/analysis/analysis_outputs_ranked_submissions/AbsoluteErrorPlots/TFE_MLR.pdf
diff --git a/...erty/logP/analysis/analysis_outputs_ranked_submissions/AbsoluteErrorPlots/TFE_b3lypd3.pdf b/...erty/logP/analysis/analysis_outputs_ranked_submissions/AbsoluteErrorPlots/TFE_b3lypd3.pdf
diff --git a/...sis/analysis_outputs_ranked_submissions/AbsoluteErrorPlots/ffsampled_deeplearning_cl1.pdf b/...sis/analysis_outputs_ranked_submissions/AbsoluteErrorPlots/ffsampled_deeplearning_cl1.pdf
diff --git a/physical_property/logP/analysis/analysis_outputs_ranked_submissions/QQPlots/COSMO-RS_QQ.pdf b/physical_property/logP/analysis/analysis_outputs_ranked_submissions/QQPlots/COSMO-RS_QQ.pdf
diff --git a/physical_property/logP/analysis/analysis_outputs_ranked_submissions/QQPlots/Chemprop_QQ.pdf b/physical_property/logP/analysis/analysis_outputs_ranked_submissions/QQPlots/Chemprop_QQ.pdf
diff --git a/...roperty/logP/analysis/analysis_outputs_ranked_submissions/QQPlots/ClassicalGSG_DB3_QQ.pdf b/...roperty/logP/analysis/analysis_outputs_ranked_submissions/QQPlots/ClassicalGSG_DB3_QQ.pdf
diff --git a/...cal_property/logP/analysis/analysis_outputs_ranked_submissions/QQPlots/EC_RISM_wet_QQ.pdf b/...cal_property/logP/analysis/analysis_outputs_ranked_submissions/QQPlots/EC_RISM_wet_QQ.pdf
diff --git a/...property/logP/analysis/analysis_outputs_ranked_submissions/QQPlots/Ensemble_Martel_QQ.pdf b/...property/logP/analysis/analysis_outputs_ranked_submissions/QQPlots/Ensemble_Martel_QQ.pdf
diff --git a/physical_property/logP/analysis/analysis_outputs_ranked_submissions/QQPlots/GROVER_QQ.pdf b/physical_property/logP/analysis/analysis_outputs_ranked_submissions/QQPlots/GROVER_QQ.pdf
diff --git a/.../logP/analysis/analysis_outputs_ranked_submissions/QQPlots/MD-EE-MCC_GAFF-TIP4P-Ew_QQ.pdf b/.../logP/analysis/analysis_outputs_ranked_submissions/QQPlots/MD-EE-MCC_GAFF-TIP4P-Ew_QQ.pdf
diff --git a/...property/logP/analysis/analysis_outputs_ranked_submissions/QQPlots/MD_CGenFF_TIP3P_QQ.pdf b/...property/logP/analysis/analysis_outputs_ranked_submissions/QQPlots/MD_CGenFF_TIP3P_QQ.pdf
diff --git a/...perty/logP/analysis/analysis_outputs_ranked_submissions/QQPlots/NES-1_GAFF2_OPC3_B_QQ.pdf b/...perty/logP/analysis/analysis_outputs_ranked_submissions/QQPlots/NES-1_GAFF2_OPC3_B_QQ.pdf
diff --git a/...cal_property/logP/analysis/analysis_outputs_ranked_submissions/QQPlots/QQplot_dict.pickle b/...cal_property/logP/analysis/analysis_outputs_ranked_submissions/QQPlots/QQplot_dict.pickle
diff --git a/...gP/analysis/analysis_outputs_ranked_submissions/QQPlots/QSPR_Mordred2D_TPOT_AutoML_QQ.pdf b/...gP/analysis/analysis_outputs_ranked_submissions/QQPlots/QSPR_Mordred2D_TPOT_AutoML_QQ.pdf
diff --git a/...operty/logP/analysis/analysis_outputs_ranked_submissions/QQPlots/TFE-NHLBI-TZVP-QM_QQ.pdf b/...operty/logP/analysis/analysis_outputs_ranked_submissions/QQPlots/TFE-NHLBI-TZVP-QM_QQ.pdf
diff --git a/...erty/logP/analysis/analysis_outputs_ranked_submissions/QQPlots/TFE-SMD-solvent-opt_QQ.pdf b/...erty/logP/analysis/analysis_outputs_ranked_submissions/QQPlots/TFE-SMD-solvent-opt_QQ.pdf
diff --git a/...roperty/logP/analysis/analysis_outputs_ranked_submissions/QQPlots/TFE_Attentive_FP_QQ.pdf b/...roperty/logP/analysis/analysis_outputs_ranked_submissions/QQPlots/TFE_Attentive_FP_QQ.pdf
diff --git a/..._property/logP/analysis/analysis_outputs_ranked_submissions/QQPlots/TFE_IEFPCM_MST_QQ.pdf b/..._property/logP/analysis/analysis_outputs_ranked_submissions/QQPlots/TFE_IEFPCM_MST_QQ.pdf
diff --git a/physical_property/logP/analysis/analysis_outputs_ranked_submissions/QQPlots/TFE_MLR_QQ.pdf b/physical_property/logP/analysis/analysis_outputs_ranked_submissions/QQPlots/TFE_MLR_QQ.pdf
diff --git a/...cal_property/logP/analysis/analysis_outputs_ranked_submissions/QQPlots/TFE_b3lypd3_QQ.pdf b/...cal_property/logP/analysis/analysis_outputs_ranked_submissions/QQPlots/TFE_b3lypd3_QQ.pdf
diff --git a/...gP/analysis/analysis_outputs_ranked_submissions/QQPlots/ffsampled_deeplearning_cl1_QQ.pdf b/...gP/analysis/analysis_outputs_ranked_submissions/QQPlots/ffsampled_deeplearning_cl1_QQ.pdf
diff --git a/...logP/analysis/analysis_outputs_ranked_submissions/StatisticsTables/MAE_vs_method_plot.pdf b/...logP/analysis/analysis_outputs_ranked_submissions/StatisticsTables/MAE_vs_method_plot.pdf
diff --git a/...uts_ranked_submissions/StatisticsTables/MAE_vs_method_plot_colored_by_method_category.pdf b/...uts_ranked_submissions/StatisticsTables/MAE_vs_method_plot_colored_by_method_category.pdf
diff --git a/...outputs_ranked_submissions/StatisticsTables/MAE_vs_method_plot_for_Empirical_category.pdf b/...outputs_ranked_submissions/StatisticsTables/MAE_vs_method_plot_for_Empirical_category.pdf
diff --git a/...tputs_ranked_submissions/StatisticsTables/MAE_vs_method_plot_for_Physical_MM_category.pdf b/...tputs_ranked_submissions/StatisticsTables/MAE_vs_method_plot_for_Physical_MM_category.pdf
diff --git a/...tputs_ranked_submissions/StatisticsTables/MAE_vs_method_plot_for_Physical_QM_category.pdf b/...tputs_ranked_submissions/StatisticsTables/MAE_vs_method_plot_for_Physical_QM_category.pdf
diff --git a/...ions/StatisticsTables/MAE_vs_method_plot_physical_methoods_colored_by_method_category.pdf b/...ions/StatisticsTables/MAE_vs_method_plot_physical_methoods_colored_by_method_category.pdf
diff --git a/...icsTables/MethodCategoryComparison/error_distribution_of_method_categories_ridge_plot.pdf b/...icsTables/MethodCategoryComparison/error_distribution_of_method_categories_ridge_plot.pdf
diff --git a/...atisticsTables/MethodCategoryComparison/summary_statistics_of_method_categories_top10.csv b/...atisticsTables/MethodCategoryComparison/summary_statistics_of_method_categories_top10.csv
@@ -0,0 +1,4 @@
+category,RMSE_mean,RMSE_std,MAE_mean,MAE_std,kendall_tau_mean,kendall_tau_std,R2_mean,R2_std,N
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diff --git a/...tatisticsTables/MethodCategoryComparison/summary_statistics_of_method_categories_top5.csv b/...tatisticsTables/MethodCategoryComparison/summary_statistics_of_method_categories_top5.csv
@@ -0,0 +1,4 @@
+category,RMSE_mean,RMSE_std,MAE_mean,MAE_std,kendall_tau_mean,kendall_tau_std,R2_mean,R2_std,N
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diff --git a/...ogP/analysis/analysis_outputs_ranked_submissions/StatisticsTables/RMSE_vs_method_plot.pdf b/...ogP/analysis/analysis_outputs_ranked_submissions/StatisticsTables/RMSE_vs_method_plot.pdf
diff --git a/...ts_ranked_submissions/StatisticsTables/RMSE_vs_method_plot_colored_by_method_category.pdf b/...ts_ranked_submissions/StatisticsTables/RMSE_vs_method_plot_colored_by_method_category.pdf
diff --git a/...utputs_ranked_submissions/StatisticsTables/RMSE_vs_method_plot_for_Empirical_category.pdf b/...utputs_ranked_submissions/StatisticsTables/RMSE_vs_method_plot_for_Empirical_category.pdf
diff --git a/...puts_ranked_submissions/StatisticsTables/RMSE_vs_method_plot_for_Physical_MM_category.pdf b/...puts_ranked_submissions/StatisticsTables/RMSE_vs_method_plot_for_Physical_MM_category.pdf
diff --git a/...puts_ranked_submissions/StatisticsTables/RMSE_vs_method_plot_for_Physical_QM_category.pdf b/...puts_ranked_submissions/StatisticsTables/RMSE_vs_method_plot_for_Physical_QM_category.pdf
diff --git a/...ons/StatisticsTables/RMSE_vs_method_plot_physical_methoods_colored_by_method_category.pdf b/...ons/StatisticsTables/RMSE_vs_method_plot_physical_methoods_colored_by_method_category.pdf
diff --git a/...analysis/analysis_outputs_ranked_submissions/StatisticsTables/Rsquared_vs_method_plot.pdf b/...analysis/analysis_outputs_ranked_submissions/StatisticsTables/Rsquared_vs_method_plot.pdf
diff --git a/...anked_submissions/StatisticsTables/Rsquared_vs_method_plot_colored_by_method_category.pdf b/...anked_submissions/StatisticsTables/Rsquared_vs_method_plot_colored_by_method_category.pdf
diff --git a/...ts_ranked_submissions/StatisticsTables/Rsquared_vs_method_plot_for_Empirical_category.pdf b/...ts_ranked_submissions/StatisticsTables/Rsquared_vs_method_plot_for_Empirical_category.pdf
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diff --git a/...StatisticsTables/Rsquared_vs_method_plot_physical_methoods_colored_by_method_category.pdf b/...StatisticsTables/Rsquared_vs_method_plot_physical_methoods_colored_by_method_category.pdf
diff --git a/...tisticsTables/kendall_tau_vs_method_plot_physical_methoods_colored_by_method_category.pdf b/...tisticsTables/kendall_tau_vs_method_plot_physical_methoods_colored_by_method_category.pdf
diff --git a/...ysis/analysis_outputs_ranked_submissions/StatisticsTables/kendalls_tau_vs_method_plot.pdf b/...ysis/analysis_outputs_ranked_submissions/StatisticsTables/kendalls_tau_vs_method_plot.pdf
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diff --git a/...anked_submissions/StatisticsTables/kendalls_tau_vs_method_plot_for_Empirical_category.pdf b/...anked_submissions/StatisticsTables/kendalls_tau_vs_method_plot_for_Empirical_category.pdf
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