Errorbar

results/meanInRadar/tables/ed_category_table_top.csv

@@ -0,0 +1,7 @@
+ED score,latex category,number of model replicas,$d_{\mathrm{OO}}$,$d_{\mathrm{OH}}$,$\theta_{\mathrm{HOH}}$,$\theta_{\mathrm{ZOH}}$,"$(d_{\mathrm{O_d}\mathrm{O_a}}, \theta_{\mathrm{O_d}\mathrm{H}\mathrm{O_a}})$","$(S_k, S_g)$"
+Pure,$F_{\mathcal{U}}(\mathcal{V})$,11,0.275599 +/- 0.031741,0.576532 +/- 0.066782,0.359159 +/- 0.058150,0.561244 +/- 0.039572,0.289474 +/- 0.066207,0.637434 +/- 0.066332
+Handcrafted,$F_{\overline{\mathcal{V}}}(\mathcal{V})$,11,0.250668 +/- 0.044479,0.600431 +/- 0.042217,0.498077 +/- 0.044695,0.582750 +/- 0.043586,0.362176 +/- 0.050520,0.589816 +/- 0.032142
+Style translated (L20L1),$F_{\widetilde{\mathcal{V}}}(\mathcal{V})$,11,0.501403 +/- 0.044059,0.739899 +/- 0.026731,0.456786 +/- 0.039028,0.726704 +/- 0.037023,0.771469 +/- 0.037032,0.647663 +/- 0.062463
+Style translated (L10L10),$F_{\widetilde{\mathcal{V}}}(\mathcal{V})$,11,0.433481 +/- 0.052406,0.703684 +/- 0.036449,0.575560 +/- 0.059645,0.564036 +/- 0.066593,0.735751 +/- 0.039150,0.595637 +/- 0.068111
+Hybrid (L20L1),$F_{\mathcal{V}^{\dagger}}(\mathcal{V})$,10,0.569767 +/- 0.019648,0.801374 +/- 0.033699,0.643962 +/- 0.053991,0.613493 +/- 0.041923,0.880770 +/- 0.023119,0.673267 +/- 0.058428
+Hybrid (L10L10),$F_{\mathcal{V}^{\dagger}}(\mathcal{V})$,11,0.512158 +/- 0.033083,0.796943 +/- 0.032596,0.690493 +/- 0.045397,0.641599 +/- 0.029290,0.866532 +/- 0.027714,0.695373 +/- 0.056797

results/meanInRadar/tables/ed_category_table_top_detailed.csv

@@ -0,0 +1,7 @@
+ED score,latex category,number of model replicas,$d_{\mathrm{OO}}$,$d_{\mathrm{OH}}$,$\theta_{\mathrm{HOH}}$,$\theta_{\mathrm{ZOH}}$,"$(d_{\mathrm{O_d}\mathrm{O_a}}, \theta_{\mathrm{O_d}\mathrm{H}\mathrm{O_a}})$","$(S_k, S_g)$"
+Pure,$F_{\mathcal{U}}(\mathcal{V})$,11,"(0.014862 +/- 0.000592), (0.275599 +/- 0.031741)","(0.022186 +/- 0.001060), (0.576532 +/- 0.066782)","(0.026211 +/- 0.000796), (0.359159 +/- 0.058150)","(0.041248 +/- 0.003119), (0.561244 +/- 0.039572)","(0.106086 +/- 0.008836), (0.289474 +/- 0.066207)","(0.251196 +/- 0.010884), (0.637434 +/- 0.066332)"
+Handcrafted,$F_{\overline{\mathcal{V}}}(\mathcal{V})$,11,"(0.015327 +/- 0.000830), (0.250668 +/- 0.044479)","(0.021806 +/- 0.000670), (0.600431 +/- 0.042217)","(0.024309 +/- 0.000612), (0.498077 +/- 0.044695)","(0.039553 +/- 0.003436), (0.582750 +/- 0.043586)","(0.096383 +/- 0.006742), (0.362176 +/- 0.050520)","(0.259010 +/- 0.005274), (0.589816 +/- 0.032142)"
+Style translated (L20L1),$F_{\widetilde{\mathcal{V}}}(\mathcal{V})$,11,"(0.010650 +/- 0.000822), (0.501403 +/- 0.044059)","(0.019592 +/- 0.000424), (0.739899 +/- 0.026731)","(0.024874 +/- 0.000534), (0.456786 +/- 0.039028)","(0.028206 +/- 0.002918), (0.726704 +/- 0.037023)","(0.041762 +/- 0.004942), (0.771469 +/- 0.037032)","(0.249518 +/- 0.010249), (0.647663 +/- 0.062463)"
+Style translated (L10L10),$F_{\widetilde{\mathcal{V}}}(\mathcal{V})$,11,"(0.011917 +/- 0.000977), (0.433481 +/- 0.052406)","(0.020167 +/- 0.000579), (0.703684 +/- 0.036449)","(0.023248 +/- 0.000816), (0.575560 +/- 0.059645)","(0.041028 +/- 0.005249), (0.564036 +/- 0.066593)","(0.046529 +/- 0.005225), (0.735751 +/- 0.039150)","(0.258055 +/- 0.011176), (0.595637 +/- 0.068111)"
+Hybrid (L20L1),$F_{\mathcal{V}^{\dagger}}(\mathcal{V})$,10,"(0.009375 +/- 0.000366), (0.569767 +/- 0.019648)","(0.018616 +/- 0.000535), (0.801374 +/- 0.033699)","(0.022312 +/- 0.000739), (0.643962 +/- 0.053991)","(0.037130 +/- 0.003305), (0.613493 +/- 0.041923)","(0.027176 +/- 0.003085), (0.880770 +/- 0.023119)","(0.245317 +/- 0.009587), (0.673267 +/- 0.058428)"
+Hybrid (L10L10),$F_{\mathcal{V}^{\dagger}}(\mathcal{V})$,11,"(0.010450 +/- 0.000617), (0.512158 +/- 0.033083)","(0.018686 +/- 0.000518), (0.796943 +/- 0.032596)","(0.021675 +/- 0.000621), (0.690493 +/- 0.045397)","(0.034914 +/- 0.002309), (0.641599 +/- 0.029290)","(0.029076 +/- 0.003699), (0.866532 +/- 0.027714)","(0.241690 +/- 0.009320), (0.695373 +/- 0.056797)"

results/meanInRadar/tables/group_membership_top.json

@@ -0,0 +1,86 @@
+{
+  "Ref": {
+    "pattern": "^Ref(_C\\d+)?$",
+    "matched_structures": [
+      "Ref_C0",
+      "Ref",
+      "Ref_C2",
+      "Ref_C6",
+      "Ref_C8",
+      "Ref_C1",
+      "Ref_C4",
+      "Ref_C7",
+      "Ref_C5",
+      "Ref_C3",
+      "Ref_C9"
+    ],
+    "n_structures": 11
+  },
+  "PPAFM2Exp_CoAll_L20_L1_Elatest_Only": {
+    "pattern": "^PPAFM2Exp_CoAll_L20_L1_Elatest_Only(_C\\d+)?$",
+    "matched_structures": [
+      "PPAFM2Exp_CoAll_L20_L1_Elatest_Only_C6",
+      "PPAFM2Exp_CoAll_L20_L1_Elatest_Only_C8",
+      "PPAFM2Exp_CoAll_L20_L1_Elatest_Only_C4",
+      "PPAFM2Exp_CoAll_L20_L1_Elatest_Only_C7",
+      "PPAFM2Exp_CoAll_L20_L1_Elatest_Only_C1",
+      "PPAFM2Exp_CoAll_L20_L1_Elatest_Only_C9",
+      "PPAFM2Exp_CoAll_L20_L1_Elatest_Only_C5",
+      "PPAFM2Exp_CoAll_L20_L1_Elatest_Only_C0",
+      "PPAFM2Exp_CoAll_L20_L1_Elatest_Only_C3",
+      "PPAFM2Exp_CoAll_L20_L1_Elatest_Only_C10",
+      "PPAFM2Exp_CoAll_L20_L1_Elatest_Only_C2"
+    ],
+    "n_structures": 11
+  },
+  "PPAFM2Exp_CoAll_L20_L1_Elatest": {
+    "pattern": "^PPAFM2Exp_CoAll_L20_L1_Elatest(_C\\d+)?$",
+    "matched_structures": [
+      "PPAFM2Exp_CoAll_L20_L1_Elatest_C3",
+      "PPAFM2Exp_CoAll_L20_L1_Elatest_C9",
+      "PPAFM2Exp_CoAll_L20_L1_Elatest",
+      "PPAFM2Exp_CoAll_L20_L1_Elatest_C2",
+      "PPAFM2Exp_CoAll_L20_L1_Elatest_C4",
+      "PPAFM2Exp_CoAll_L20_L1_Elatest_C8",
+      "PPAFM2Exp_CoAll_L20_L1_Elatest_C0",
+      "PPAFM2Exp_CoAll_L20_L1_Elatest_C7",
+      "PPAFM2Exp_CoAll_L20_L1_Elatest_C1",
+      "PPAFM2Exp_CoAll_L20_L1_Elatest_C5"
+    ],
+    "n_structures": 10
+  },
+  "PPAFM2Exp_CoAll_L10_L10_Elatest_Only": {
+    "pattern": "^PPAFM2Exp_CoAll_L10_L10_Elatest_Only(_C\\d+)?$",
+    "matched_structures": [
+      "PPAFM2Exp_CoAll_L10_L10_Elatest_Only_C9",
+      "PPAFM2Exp_CoAll_L10_L10_Elatest_Only_C7",
+      "PPAFM2Exp_CoAll_L10_L10_Elatest_Only_C5",
+      "PPAFM2Exp_CoAll_L10_L10_Elatest_Only_C3",
+      "PPAFM2Exp_CoAll_L10_L10_Elatest_Only_C4",
+      "PPAFM2Exp_CoAll_L10_L10_Elatest_Only_C8",
+      "PPAFM2Exp_CoAll_L10_L10_Elatest_Only_C2",
+      "PPAFM2Exp_CoAll_L10_L10_Elatest_Only_C1",
+      "PPAFM2Exp_CoAll_L10_L10_Elatest_Only_C10",
+      "PPAFM2Exp_CoAll_L10_L10_Elatest_Only_C0",
+      "PPAFM2Exp_CoAll_L10_L10_Elatest_Only_C6"
+    ],
+    "n_structures": 11
+  },
+  "PPAFM2Exp_CoAll_L10_L10_Elatest": {
+    "pattern": "^PPAFM2Exp_CoAll_L10_L10_Elatest(_C\\d+)?$",
+    "matched_structures": [
+      "PPAFM2Exp_CoAll_L10_L10_Elatest_C1",
+      "PPAFM2Exp_CoAll_L10_L10_Elatest_C5",
+      "PPAFM2Exp_CoAll_L10_L10_Elatest_C6",
+      "PPAFM2Exp_CoAll_L10_L10_Elatest_C2",
+      "PPAFM2Exp_CoAll_L10_L10_Elatest_C3",
+      "PPAFM2Exp_CoAll_L10_L10_Elatest_C7",
+      "PPAFM2Exp_CoAll_L10_L10_Elatest",
+      "PPAFM2Exp_CoAll_L10_L10_Elatest_C4",
+      "PPAFM2Exp_CoAll_L10_L10_Elatest_C8",
+      "PPAFM2Exp_CoAll_L10_L10_Elatest_C0",
+      "PPAFM2Exp_CoAll_L10_L10_Elatest_C9"
+    ],
+    "n_structures": 11
+  }
+}

results/meanInRadar/tables/mmd_category_table_top.csv

@@ -0,0 +1,7 @@
+MMD score,latex category,number of model replicas,$d_{\mathrm{OO}}$,$d_{\mathrm{OH}}$,$\theta_{\mathrm{HOH}}$,$\theta_{\mathrm{ZOH}}$,"$(d_{\mathrm{O_d}\mathrm{O_a}}, \theta_{\mathrm{O_d}\mathrm{H}\mathrm{O_a}})$","$(S_k, S_g)$"
+Pure,$F_{\mathcal{U}}(\mathcal{V})$,11,0.134016 +/- 0.018592,0.693685 +/- 0.061712,0.299984 +/- 0.065944,0.446540 +/- 0.035260,0.196940 +/- 0.052068,0.480083 +/- 0.079647
+Handcrafted,$F_{\overline{\mathcal{V}}}(\mathcal{V})$,11,0.149388 +/- 0.027545,0.760671 +/- 0.036710,0.615092 +/- 0.072449,0.471537 +/- 0.039159,0.289909 +/- 0.031952,0.384053 +/- 0.038761
+Style translated (L20L1),$F_{\widetilde{\mathcal{V}}}(\mathcal{V})$,11,0.331504 +/- 0.036543,0.727202 +/- 0.038545,0.424245 +/- 0.060947,0.589496 +/- 0.043429,0.704940 +/- 0.040222,0.437882 +/- 0.050752
+Style translated (L10L10),$F_{\widetilde{\mathcal{V}}}(\mathcal{V})$,11,0.300993 +/- 0.040128,0.719908 +/- 0.031362,0.495177 +/- 0.063986,0.454049 +/- 0.068748,0.640641 +/- 0.045170,0.425757 +/- 0.078091
+Hybrid (L20L1),$F_{\mathcal{V}^{\dagger}}(\mathcal{V})$,10,0.397052 +/- 0.013552,0.826062 +/- 0.035707,0.608789 +/- 0.060362,0.493610 +/- 0.042111,0.837969 +/- 0.025832,0.403592 +/- 0.054114
+Hybrid (L10L10),$F_{\mathcal{V}^{\dagger}}(\mathcal{V})$,11,0.377345 +/- 0.024576,0.825804 +/- 0.035850,0.672892 +/- 0.063560,0.515562 +/- 0.029586,0.799642 +/- 0.033428,0.472028 +/- 0.057574

results/meanInRadar/tables/mmd_category_table_top_detailed.csv

@@ -0,0 +1,7 @@
+MMD score,latex category,number of model replicas,$d_{\mathrm{OO}}$,$d_{\mathrm{OH}}$,$\theta_{\mathrm{HOH}}$,$\theta_{\mathrm{ZOH}}$,"$(d_{\mathrm{O_d}\mathrm{O_a}}, \theta_{\mathrm{O_d}\mathrm{H}\mathrm{O_a}})$","$(S_k, S_g)$"
+Pure,$F_{\mathcal{U}}(\mathcal{V})$,11,"(0.381706 +/- 0.004799), (0.134016 +/- 0.018592)","(0.636832 +/- 0.007012), (0.693685 +/- 0.061712)","(0.709318 +/- 0.005983), (0.299984 +/- 0.065944)","(0.224151 +/- 0.008761), (0.446540 +/- 0.035260)","(0.483717 +/- 0.019009), (0.196940 +/- 0.052068)","(0.631027 +/- 0.014678), (0.480083 +/- 0.079647)"
+Handcrafted,$F_{\overline{\mathcal{V}}}(\mathcal{V})$,11,"(0.377738 +/- 0.007110), (0.149388 +/- 0.027545)","(0.629221 +/- 0.004171), (0.760671 +/- 0.036710)","(0.680731 +/- 0.006573), (0.615092 +/- 0.072449)","(0.217940 +/- 0.009730), (0.471537 +/- 0.039159)","(0.449777 +/- 0.011665), (0.289909 +/- 0.031952)","(0.648725 +/- 0.007143), (0.384053 +/- 0.038761)"
+Style translated (L20L1),$F_{\widetilde{\mathcal{V}}}(\mathcal{V})$,11,"(0.330730 +/- 0.009433), (0.331504 +/- 0.036543)","(0.633024 +/- 0.004380), (0.727202 +/- 0.038545)","(0.698045 +/- 0.005529), (0.424245 +/- 0.060947)","(0.188631 +/- 0.010791), (0.589496 +/- 0.043429)","(0.298260 +/- 0.014684), (0.704940 +/- 0.040222)","(0.638805 +/- 0.009353), (0.437882 +/- 0.050752)"
+Style translated (L10L10),$F_{\widetilde{\mathcal{V}}}(\mathcal{V})$,11,"(0.338605 +/- 0.010358), (0.300993 +/- 0.040128)","(0.633852 +/- 0.003563), (0.719908 +/- 0.031362)","(0.691610 +/- 0.005805), (0.495177 +/- 0.063986)","(0.222285 +/- 0.017082), (0.454049 +/- 0.068748)","(0.321734 +/- 0.016490), (0.640641 +/- 0.045170)","(0.641039 +/- 0.014392), (0.425757 +/- 0.078091)"
+Hybrid (L20L1),$F_{\mathcal{V}^{\dagger}}(\mathcal{V})$,10,"(0.313810 +/- 0.003498), (0.397052 +/- 0.013552)","(0.621791 +/- 0.004057), (0.826062 +/- 0.035707)","(0.681303 +/- 0.005476), (0.608789 +/- 0.060362)","(0.212456 +/- 0.010463), (0.493610 +/- 0.042111)","(0.249695 +/- 0.009430), (0.837969 +/- 0.025832)","(0.645124 +/- 0.009973), (0.403592 +/- 0.054114)"
+Hybrid (L10L10),$F_{\mathcal{V}^{\dagger}}(\mathcal{V})$,11,"(0.318897 +/- 0.006344), (0.377345 +/- 0.024576)","(0.621820 +/- 0.004073), (0.825804 +/- 0.035850)","(0.675487 +/- 0.005766), (0.672892 +/- 0.063560)","(0.207001 +/- 0.007351), (0.515562 +/- 0.029586)","(0.263687 +/- 0.012204), (0.799642 +/- 0.033428)","(0.632512 +/- 0.010611), (0.472028 +/- 0.057574)"

results/meanInRadar/tables/radar_stats_top_condensed.csv

@@ -0,0 +1,16 @@
+group,metric,HOH,Hbond,OH,OO,OrderP,ZOH,n_HOH,n_Hbond,n_OH,n_OO,n_OrderP,n_ZOH
+PPAFM2Exp_CoAll_L10_L10_Elatest,ED,0.021675 +/- 0.000621,0.029076 +/- 0.003699,0.018686 +/- 0.000518,0.010450 +/- 0.000617,0.241690 +/- 0.009320,0.034914 +/- 0.002309,11,11,11,11,11,11
+PPAFM2Exp_CoAll_L10_L10_Elatest,MMD,0.675487 +/- 0.005766,0.263687 +/- 0.012204,0.621820 +/- 0.004073,0.318897 +/- 0.006344,0.632512 +/- 0.010611,0.207001 +/- 0.007351,11,11,11,11,11,11
+PPAFM2Exp_CoAll_L10_L10_Elatest,WD,0.051522 +/- 0.001139,0.048406 +/- 0.004120,0.040573 +/- 0.000645,0.032041 +/- 0.001239,0.245997 +/- 0.007683,0.118144 +/- 0.003839,11,11,11,11,11,11
+PPAFM2Exp_CoAll_L10_L10_Elatest_Only,ED,0.023248 +/- 0.000816,0.046529 +/- 0.005225,0.020167 +/- 0.000579,0.011917 +/- 0.000977,0.258055 +/- 0.011176,0.041028 +/- 0.005249,11,11,11,11,11,11
+PPAFM2Exp_CoAll_L10_L10_Elatest_Only,MMD,0.691610 +/- 0.005805,0.321734 +/- 0.016490,0.633852 +/- 0.003563,0.338605 +/- 0.010358,0.641039 +/- 0.014392,0.222285 +/- 0.017082,11,11,11,11,11,11
+PPAFM2Exp_CoAll_L10_L10_Elatest_Only,WD,0.053425 +/- 0.001647,0.066208 +/- 0.005341,0.042898 +/- 0.000655,0.035385 +/- 0.001791,0.262284 +/- 0.009313,0.125227 +/- 0.008753,11,11,11,11,11,11
+PPAFM2Exp_CoAll_L20_L1_Elatest,ED,0.022312 +/- 0.000739,0.027176 +/- 0.003085,0.018616 +/- 0.000535,0.009375 +/- 0.000366,0.245317 +/- 0.009587,0.037130 +/- 0.003305,10,10,10,10,10,10
+PPAFM2Exp_CoAll_L20_L1_Elatest,MMD,0.681303 +/- 0.005476,0.249695 +/- 0.009430,0.621791 +/- 0.004057,0.313810 +/- 0.003498,0.645124 +/- 0.009973,0.212456 +/- 0.010463,10,10,10,10,10,10
+PPAFM2Exp_CoAll_L20_L1_Elatest,WD,0.052702 +/- 0.001289,0.048966 +/- 0.003328,0.040957 +/- 0.000574,0.031550 +/- 0.001542,0.247171 +/- 0.010070,0.121231 +/- 0.006147,10,10,10,10,10,10
+PPAFM2Exp_CoAll_L20_L1_Elatest_Only,ED,0.024874 +/- 0.000534,0.041762 +/- 0.004942,0.019592 +/- 0.000424,0.010650 +/- 0.000822,0.249518 +/- 0.010249,0.028206 +/- 0.002918,11,11,11,11,11,11
+PPAFM2Exp_CoAll_L20_L1_Elatest_Only,MMD,0.698045 +/- 0.005529,0.298260 +/- 0.014684,0.633024 +/- 0.004380,0.330730 +/- 0.009433,0.638805 +/- 0.009353,0.188631 +/- 0.010791,11,11,11,11,11,11
+PPAFM2Exp_CoAll_L20_L1_Elatest_Only,WD,0.057524 +/- 0.001173,0.064006 +/- 0.005201,0.043411 +/- 0.000550,0.034263 +/- 0.001712,0.253320 +/- 0.010350,0.104814 +/- 0.005701,11,11,11,11,11,11
+Ref,ED,0.024309 +/- 0.000612,0.096383 +/- 0.006742,0.021806 +/- 0.000670,0.015327 +/- 0.000830,0.259010 +/- 0.005274,0.039553 +/- 0.003436,11,11,11,11,11,11
+Ref,MMD,0.680731 +/- 0.006573,0.449777 +/- 0.011665,0.629221 +/- 0.004171,0.377738 +/- 0.007110,0.648725 +/- 0.007143,0.217940 +/- 0.009730,11,11,11,11,11,11
+Ref,WD,0.057553 +/- 0.001144,0.114462 +/- 0.006263,0.044694 +/- 0.000667,0.042481 +/- 0.001066,0.257413 +/- 0.003867,0.120964 +/- 0.006215,11,11,11,11,11,11