Added CV hparam training with dropout included

reports/cv_report_hparam_search_5-splits_active-and_fp224.csv

@@ -0,0 +1,106 @@
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+4,random,860,214,0.8007448789571695,0.19925512104283055,0.26046511627906976,0.7395348837209302,0.2570093457943925,0.7429906542056075,0.07692307692307693,0.9230769230769231,43,108,,0.49358317255973816,0.7850467562675476,0.6760563254356384,0.7850467562675476,1.461103081703186,0.5517241358757019,0.8727272748947144,0.9017152786254883,0.9740471243858337,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.25,768,32,0.00010610998947748223,0.13255113755129627,concat,6,,
+4,random,860,214,0.8007448789571695,0.19925512104283055,0.26046511627906976,0.7395348837209302,0.2570093457943925,0.7429906542056075,0.07692307692307693,0.9230769230769231,43,108,disabled smiles,0.41665762662887573,0.7663551568984985,0.6268656849861145,0.7663551568984985,1.3932209014892578,0.5316455960273743,0.7636363506317139,0.8742138147354126,0.8465439677238464,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.0,768,32,0.00010610998947748223,0.13255113755129627,concat,6,,
+4,random,860,214,0.8007448789571695,0.19925512104283055,0.26046511627906976,0.7395348837209302,0.2570093457943925,0.7429906542056075,0.07692307692307693,0.9230769230769231,43,108,disabled poi,0.5439196228981018,0.7523364424705505,0.6015037298202515,0.7523364424705505,1.3538401126861572,0.5128205418586731,0.7272727489471436,0.8032017946243286,0.34148794412612915,0.8461538553237915,0.5,0.8461538553237915,1.3461538553237915,0.3333333432674408,1.0,0.8333333134651184,768,32,0.00010610998947748223,0.13255113755129627,concat,6,,
+4,random,860,214,0.8007448789571695,0.19925512104283055,0.26046511627906976,0.7395348837209302,0.2570093457943925,0.7429906542056075,0.07692307692307693,0.9230769230769231,43,108,disabled e3,0.4362758696079254,0.7990654110908508,0.6814814805984497,0.7990654110908508,1.4805469512939453,0.574999988079071,0.8363636136054993,0.8715265989303589,0.6445645689964294,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.0,768,32,0.00010610998947748223,0.13255113755129627,concat,6,,
+4,random,860,214,0.8007448789571695,0.19925512104283055,0.26046511627906976,0.7395348837209302,0.2570093457943925,0.7429906542056075,0.07692307692307693,0.9230769230769231,43,108,disabled cell,0.4599778354167938,0.7710280418395996,0.573913037776947,0.7710280418395996,1.3449411392211914,0.550000011920929,0.6000000238418579,0.8333333730697632,0.6404210329055786,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.0,768,32,0.00010610998947748223,0.13255113755129627,concat,6,,
+4,random,860,214,0.8007448789571695,0.19925512104283055,0.26046511627906976,0.7395348837209302,0.2570093457943925,0.7429906542056075,0.07692307692307693,0.9230769230769231,43,108,disabled poi e3 smiles,0.5333731174468994,0.7523364424705505,0.5826771855354309,0.7523364424705505,1.3350136280059814,0.5138888955116272,0.6727272868156433,0.8093767762184143,0.6337226033210754,0.6153846383094788,0.0,0.6153846383094788,0.6153846383094788,0.0,0.0,0.5833333730697632,768,32,0.00010610998947748223,0.13255113755129627,concat,6,,
+4,random,860,214,0.8007448789571695,0.19925512104283055,0.26046511627906976,0.7395348837209302,0.2570093457943925,0.7429906542056075,0.07692307692307693,0.9230769230769231,43,108,disabled poi e3 cell,0.6796397566795349,0.6214953064918518,0.5090909004211426,0.6214953064918518,1.1305861473083496,0.38181817531585693,0.7636363506317139,0.7198399305343628,0.6174545884132385,0.692307710647583,0.3333333432674408,0.692307710647583,1.0256410837173462,0.20000000298023224,1.0,0.9166666865348816,768,32,0.00010610998947748223,0.13255113755129627,concat,6,,
+0,uniprot,893,181,0.8314711359404097,0.1685288640595903,0.28331466965285557,0.7166853303471444,0.143646408839779,0.856353591160221,0.07692307692307693,0.9230769230769231,0,20,,0.4534050226211548,0.8342541456222534,0.1666666716337204,0.8342541456222534,1.0009207725524902,0.30000001192092896,0.11538461595773697,0.5960297584533691,0.8965493440628052,0.5384615659713745,0.0,0.5384615659713745,0.5384615659713745,0.0,0.0,0.0,256,32,0.00016772698652918868,0.6866810049303773,concat,11,55.0,10.0
+0,uniprot,893,181,0.8314711359404097,0.1685288640595903,0.28331466965285557,0.7166853303471444,0.143646408839779,0.856353591160221,0.07692307692307693,0.9230769230769231,0,20,disabled smiles,0.4177824556827545,0.8508287072181702,0.06896551698446274,0.8508287072181702,0.9197942018508911,0.3333333432674408,0.03846153989434242,0.6774193048477173,0.8900344371795654,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.0,256,32,0.00016772698652918868,0.6866810049303773,concat,11,55.0,10.0
+0,uniprot,893,181,0.8314711359404097,0.1685288640595903,0.28331466965285557,0.7166853303471444,0.143646408839779,0.856353591160221,0.07692307692307693,0.9230769230769231,0,20,disabled poi,0.7758087515830994,0.5248618721961975,0.1568627506494522,0.5248618721961975,0.6817246079444885,0.10526315867900848,0.3076923191547394,0.43821340799331665,0.7007104158401489,0.6153846383094788,0.0,0.6153846383094788,0.6153846383094788,0.0,0.0,0.4166666865348816,256,32,0.00016772698652918868,0.6866810049303773,concat,11,55.0,10.0
+0,uniprot,893,181,0.8314711359404097,0.1685288640595903,0.28331466965285557,0.7166853303471444,0.143646408839779,0.856353591160221,0.07692307692307693,0.9230769230769231,0,20,disabled e3,0.5676182508468628,0.7900552749633789,0.17391304671764374,0.7900552749633789,0.9639683365821838,0.20000000298023224,0.1538461595773697,0.48312652111053467,0.8851895928382874,0.5384615659713745,0.0,0.5384615659713745,0.5384615659713745,0.0,0.0,0.0,256,32,0.00016772698652918868,0.6866810049303773,concat,11,55.0,10.0
+0,uniprot,893,181,0.8314711359404097,0.1685288640595903,0.28331466965285557,0.7166853303471444,0.143646408839779,0.856353591160221,0.07692307692307693,0.9230769230769231,0,20,disabled cell,0.4642336964607239,0.8397790193557739,0.06451612710952759,0.8397790193557739,0.9042951464653015,0.20000000298023224,0.03846153989434242,0.5488834381103516,0.6462687849998474,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.0,256,32,0.00016772698652918868,0.6866810049303773,concat,11,55.0,10.0
+0,uniprot,893,181,0.8314711359404097,0.1685288640595903,0.28331466965285557,0.7166853303471444,0.143646408839779,0.856353591160221,0.07692307692307693,0.9230769230769231,0,20,disabled poi e3 smiles,0.66106116771698,0.7071823477745056,0.23188406229019165,0.7071823477745056,0.9390664100646973,0.1860465109348297,0.3076923191547394,0.5177419185638428,0.7892321944236755,0.4615384638309479,0.0,0.4615384638309479,0.4615384638309479,0.0,0.0,0.1666666865348816,256,32,0.00016772698652918868,0.6866810049303773,concat,11,55.0,10.0
+0,uniprot,893,181,0.8314711359404097,0.1685288640595903,0.28331466965285557,0.7166853303471444,0.143646408839779,0.856353591160221,0.07692307692307693,0.9230769230769231,0,20,disabled poi e3 cell,1.0046290159225464,0.37016573548316956,0.25974026322364807,0.37016573548316956,0.6299059987068176,0.15625,0.7692307829856873,0.5258064866065979,0.7846564054489136,0.4615384638309479,0.2222222238779068,0.4615384638309479,0.6837607026100159,0.125,1.0,0.9166666865348816,256,32,0.00016772698652918868,0.6866810049303773,concat,11,55.0,10.0
+1,uniprot,876,198,0.8156424581005587,0.18435754189944134,0.2522831050228311,0.747716894977169,0.29292929292929293,0.7070707070707071,0.07692307692307693,0.9230769230769231,0,14,,0.6912462115287781,0.5252525210380554,0.17543859779834747,0.5252525210380554,0.7006911039352417,0.1785714328289032,0.17241379618644714,0.42918717861175537,0.6349537372589111,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.0,256,8,2.0548745695200694e-05,0.7933600740191676,concat,14,56.0,9.0
+1,uniprot,876,198,0.8156424581005587,0.18435754189944134,0.2522831050228311,0.747716894977169,0.29292929292929293,0.7070707070707071,0.07692307692307693,0.9230769230769231,0,14,disabled smiles,1.0955744981765747,0.5101010203361511,0.48677247762680054,0.5101010203361511,0.9968734979629517,0.35114502906799316,0.7931034564971924,0.6424261331558228,0.7508934736251831,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.08333331346511841,256,8,2.0548745695200694e-05,0.7933600740191676,concat,14,56.0,9.0
+1,uniprot,876,198,0.8156424581005587,0.18435754189944134,0.2522831050228311,0.747716894977169,0.29292929292929293,0.7070707070707071,0.07692307692307693,0.9230769230769231,0,14,disabled poi,1.1455005407333374,0.4595959484577179,0.4512820541858673,0.4595959484577179,0.9108780026435852,0.32116788625717163,0.7586206793785095,0.4754926264286041,0.49092572927474976,0.6153846383094788,0.0,0.6153846383094788,0.6153846383094788,0.0,0.0,0.6666666269302368,256,8,2.0548745695200694e-05,0.7933600740191676,concat,14,56.0,9.0
+1,uniprot,876,198,0.8156424581005587,0.18435754189944134,0.2522831050228311,0.747716894977169,0.29292929292929293,0.7070707070707071,0.07692307692307693,0.9230769230769231,0,14,disabled e3,1.0935477018356323,0.46464645862579346,0.42391303181648254,0.46464645862579346,0.8885594606399536,0.3095238208770752,0.6724137663841248,0.5236453413963318,0.6788313984870911,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.0,256,8,2.0548745695200694e-05,0.7933600740191676,concat,14,56.0,9.0
+1,uniprot,876,198,0.8156424581005587,0.18435754189944134,0.2522831050228311,0.747716894977169,0.29292929292929293,0.7070707070707071,0.07692307692307693,0.9230769230769231,0,14,disabled cell,0.9266204237937927,0.4747474789619446,0.24637681245803833,0.4747474789619446,0.7211242914199829,0.21250000596046448,0.2931034564971924,0.49593597650527954,0.6411826014518738,0.8461538553237915,0.0,0.8461538553237915,0.8461538553237915,0.0,0.0,0.08333331346511841,256,8,2.0548745695200694e-05,0.7933600740191676,concat,14,56.0,9.0
+1,uniprot,876,198,0.8156424581005587,0.18435754189944134,0.2522831050228311,0.747716894977169,0.29292929292929293,0.7070707070707071,0.07692307692307693,0.9230769230769231,0,14,disabled poi e3 smiles,1.0671687126159668,0.4595959484577179,0.5069124698638916,0.4595959484577179,0.9665083885192871,0.3459119498729706,0.9482758641242981,0.6092364192008972,0.7673556804656982,0.6153846383094788,0.0,0.6153846383094788,0.6153846383094788,0.0,0.0,0.1666666865348816,256,8,2.0548745695200694e-05,0.7933600740191676,concat,14,56.0,9.0
+1,uniprot,876,198,0.8156424581005587,0.18435754189944134,0.2522831050228311,0.747716894977169,0.29292929292929293,0.7070707070707071,0.07692307692307693,0.9230769230769231,0,14,disabled poi e3 cell,0.8992798924446106,0.4848484992980957,0.30136987566947937,0.4848484992980957,0.7862184047698975,0.25,0.37931033968925476,0.4283251166343689,0.603691816329956,0.6153846383094788,0.2857142984867096,0.6153846383094788,0.9010989665985107,0.1666666716337204,1.0,0.75,256,8,2.0548745695200694e-05,0.7933600740191676,concat,14,56.0,9.0
+2,uniprot,1015,59,0.9450651769087524,0.05493482309124767,0.24433497536945814,0.7556650246305419,0.5254237288135594,0.4745762711864407,0.07692307692307693,0.9230769230769231,0,11,,0.6937682628631592,0.4237288236618042,0.10526315867900848,0.4237288236618042,0.5289919972419739,0.2857142984867096,0.06451612710952759,0.578341007232666,0.6559783220291138,0.9230769276618958,0.0,0.9230769276618958,0.9230769276618958,0.0,0.0,0.1666666865348816,256,16,3.0967083712072556e-05,0.7825772188520063,sum,13,56.0,9.0
+2,uniprot,1015,59,0.9450651769087524,0.05493482309124767,0.24433497536945814,0.7556650246305419,0.5254237288135594,0.4745762711864407,0.07692307692307693,0.9230769230769231,0,11,disabled smiles,1.2339656352996826,0.47457626461982727,0.20512820780277252,0.47457626461982727,0.679704487323761,0.5,0.12903225421905518,0.4861751198768616,0.8462024331092834,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.0,256,16,3.0967083712072556e-05,0.7825772188520063,sum,13,56.0,9.0
+2,uniprot,1015,59,0.9450651769087524,0.05493482309124767,0.24433497536945814,0.7556650246305419,0.5254237288135594,0.4745762711864407,0.07692307692307693,0.9230769230769231,0,11,disabled poi,0.7302329540252686,0.6101694703102112,0.5660377144813538,0.6101694703102112,1.176207184791565,0.6818181872367859,0.4838709533214569,0.7050691246986389,0.5765672326087952,0.6153846383094788,0.2857142984867096,0.6153846383094788,0.9010989665985107,0.1666666716337204,1.0,0.9166666865348816,256,16,3.0967083712072556e-05,0.7825772188520063,sum,13,56.0,9.0
+2,uniprot,1015,59,0.9450651769087524,0.05493482309124767,0.24433497536945814,0.7556650246305419,0.5254237288135594,0.4745762711864407,0.07692307692307693,0.9230769230769231,0,11,disabled e3,1.285068392753601,0.49152541160583496,0.25,0.49152541160583496,0.741525411605835,0.5555555820465088,0.16129031777381897,0.6059907674789429,0.8408297300338745,0.692307710647583,0.0,0.692307710647583,0.692307710647583,0.0,0.0,0.0,256,16,3.0967083712072556e-05,0.7825772188520063,sum,13,56.0,9.0
+2,uniprot,1015,59,0.9450651769087524,0.05493482309124767,0.24433497536945814,0.7556650246305419,0.5254237288135594,0.4745762711864407,0.07692307692307693,0.9230769230769231,0,11,disabled cell,1.4776040315628052,0.508474588394165,0.21621622145175934,0.508474588394165,0.7246907949447632,0.6666666865348816,0.12903225421905518,0.4717741906642914,0.8470534086227417,0.7692307829856873,0.0,0.7692307829856873,0.7692307829856873,0.0,0.0,0.0,256,16,3.0967083712072556e-05,0.7825772188520063,sum,13,56.0,9.0
+2,uniprot,1015,59,0.9450651769087524,0.05493482309124767,0.24433497536945814,0.7556650246305419,0.5254237288135594,0.4745762711864407,0.07692307692307693,0.9230769230769231,0,11,disabled poi e3 smiles,0.5518052577972412,0.7288135886192322,0.7037037014961243,0.7288135886192322,1.4325172901153564,0.8260869383811951,0.6129032373428345,0.807603657245636,0.6270097494125366,0.6153846383094788,0.0,0.6153846383094788,0.6153846383094788,0.0,0.0,0.4166666865348816,256,16,3.0967083712072556e-05,0.7825772188520063,sum,13,56.0,9.0
+2,uniprot,1015,59,0.9450651769087524,0.05493482309124767,0.24433497536945814,0.7556650246305419,0.5254237288135594,0.4745762711864407,0.07692307692307693,0.9230769230769231,0,11,disabled poi e3 cell,0.9955587983131409,0.4237288236618042,0.260869562625885,0.4237288236618042,0.6845983862876892,0.4000000059604645,0.19354838132858276,0.5443547964096069,0.5360821485519409,0.7692307829856873,0.4000000059604645,0.7692307829856873,1.1692308187484741,0.25,1.0,0.8333333134651184,256,16,3.0967083712072556e-05,0.7825772188520063,sum,13,56.0,9.0
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reports/cv_report_hparam_search_5-splits_active-or_fp224.csv

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+1,random,1297,325,0.7996300863131935,0.2003699136868064,0.5065535851966075,0.49344641480339246,0.5076923076923077,0.49230769230769234,0.5333333333333333,0.4666666666666667,61,169,disabled poi,0.5291935205459595,0.7353846430778503,0.7584269642829895,0.7353846430778503,1.4938116073608398,0.7068063020706177,0.8181818127632141,0.8182765245437622,0.6569517850875854,0.6666666865348816,0.7368420958518982,0.6666666865348816,1.4035087823867798,0.6363636255264282,0.875,0.6964285373687744,768,8,4.363415269628358e-05,0.11144120117953832,concat,5,,
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+4,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,56,149,,0.713790774345398,0.7160493731498718,0.7676767706871033,0.7160493731498718,1.483726143836975,0.6551724076271057,0.9268292784690857,0.8432927131652832,1.1610974073410034,0.6666666865348816,0.7058823704719543,0.6666666865348816,1.372549057006836,0.6666666865348816,0.75,0.6428571343421936,768,32,0.00033628883723254893,0.20428587535736228,concat,3,,
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+4,random,1298,324,0.8002466091245376,0.1997533908754624,0.5069337442218799,0.4930662557781202,0.5061728395061729,0.49382716049382713,0.5333333333333333,0.4666666666666667,56,149,disabled cell,0.5920383334159851,0.6820987462997437,0.6360424160957336,0.6820987462997437,1.318141222000122,0.756302535533905,0.5487805008888245,0.7759527564048767,0.8513121008872986,0.6000000238418579,0.5,0.6000000238418579,1.100000023841858,0.75,0.375,0.6071428656578064,768,32,0.00033628883723254893,0.20428587535736228,concat,3,,
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+0,uniprot,1037,585,0.6393341553637485,0.36066584463625156,0.5255544840887174,0.47444551591128253,0.4735042735042735,0.5264957264957265,0.5333333333333333,0.4666666666666667,0,104,,0.6808456182479858,0.5931624174118042,0.6020066738128662,0.5931624174118042,1.1951690912246704,0.5607476830482483,0.6498194932937622,0.6346230506896973,0.6990493535995483,0.4000000059604645,0.4000000059604645,0.4000000059604645,0.800000011920929,0.4285714328289032,0.375,0.4464285671710968,768,16,1.2081603988758057e-05,0.6346490265963785,concat,15,66.0,21.0
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+0,uniprot,1037,585,0.6393341553637485,0.36066584463625156,0.5255544840887174,0.47444551591128253,0.4735042735042735,0.5264957264957265,0.5333333333333333,0.4666666666666667,0,104,disabled e3,0.7533477544784546,0.5658119916915894,0.5665528774261475,0.5658119916915894,1.1323648691177368,0.53721684217453,0.5992779731750488,0.6168303489685059,0.7795660495758057,0.5333333611488342,0.4615384638309479,0.5333333611488342,0.9948718547821045,0.6000000238418579,0.375,0.6071428656578064,768,16,1.2081603988758057e-05,0.6346490265963785,concat,15,66.0,21.0
+0,uniprot,1037,585,0.6393341553637485,0.36066584463625156,0.5255544840887174,0.47444551591128253,0.4735042735042735,0.5264957264957265,0.5333333333333333,0.4666666666666667,0,104,disabled cell,0.7547990083694458,0.5692307949066162,0.5785953402519226,0.5692307949066162,1.1478261947631836,0.5389407873153687,0.6245487332344055,0.617516040802002,0.7777549028396606,0.5333333611488342,0.4615384638309479,0.5333333611488342,0.9948718547821045,0.6000000238418579,0.375,0.6964285373687744,768,16,1.2081603988758057e-05,0.6346490265963785,concat,15,66.0,21.0
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+0,uniprot,1037,585,0.6393341553637485,0.36066584463625156,0.5255544840887174,0.47444551591128253,0.4735042735042735,0.5264957264957265,0.5333333333333333,0.4666666666666667,0,104,disabled poi e3 cell,0.8745383620262146,0.5145299434661865,0.6109589338302612,0.5145299434661865,1.1254888772964478,0.4922737181186676,0.8050541281700134,0.5528212785720825,0.8036391735076904,0.5333333611488342,0.6315789222717285,0.5333333611488342,1.164912223815918,0.5454545617103577,0.75,0.5357142686843872,768,16,1.2081603988758057e-05,0.6346490265963785,concat,15,66.0,21.0
+1,uniprot,1259,363,0.7762022194821209,0.22379778051787916,0.5250198570293884,0.4749801429706116,0.44352617079889806,0.5564738292011019,0.5333333333333333,0.4666666666666667,0,17,,0.817398190498352,0.6170799136161804,0.6890380382537842,0.6170799136161804,1.3061180114746094,0.5384615659713745,0.95652174949646,0.7225262522697449,0.6678908467292786,0.6666666865348816,0.6666666865348816,0.6666666865348816,1.3333333730697632,0.7142857313156128,0.625,0.6607142686843872,512,32,5.1565738326173805e-05,0.23595514735588716,concat,7,73.0,14.0
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+2,uniprot,1471,151,0.906905055487053,0.09309494451294698,0.4983004758667573,0.5016995241332427,0.5894039735099338,0.4105960264900662,0.5333333333333333,0.4666666666666667,0,4,,0.7781628370285034,0.5099337697029114,0.37288135290145874,0.5099337697029114,0.8828151226043701,0.7586206793785095,0.24719101190567017,0.6507792472839355,0.7317829728126526,0.6000000238418579,0.5,0.6000000238418579,1.100000023841858,0.75,0.375,0.75,512,16,2.609230449389315e-05,0.17515540793383313,concat,13,74.0,13.0
+2,uniprot,1471,151,0.906905055487053,0.09309494451294698,0.4983004758667573,0.5016995241332427,0.5894039735099338,0.4105960264900662,0.5333333333333333,0.4666666666666667,0,4,disabled smiles,0.6774863004684448,0.5761589407920837,0.6483516693115234,0.5761589407920837,1.224510669708252,0.6344085931777954,0.6629213690757751,0.6108191609382629,0.6399433612823486,0.7333333492279053,0.7142857313156128,0.7333333492279053,1.447619080543518,0.8333333134651184,0.625,0.7321428060531616,512,16,2.609230449389315e-05,0.17515540793383313,concat,13,74.0,13.0
+2,uniprot,1471,151,0.906905055487053,0.09309494451294698,0.4983004758667573,0.5016995241332427,0.5894039735099338,0.4105960264900662,0.5333333333333333,0.4666666666666667,0,4,disabled poi,0.7752854228019714,0.503311276435852,0.4897959232330322,0.503311276435852,0.9931071996688843,0.6206896305084229,0.40449437499046326,0.5570859313011169,0.6328707933425903,0.7333333492279053,0.75,0.7333333492279053,1.4833333492279053,0.75,0.75,0.7142857313156128,512,16,2.609230449389315e-05,0.17515540793383313,concat,13,74.0,13.0
+2,uniprot,1471,151,0.906905055487053,0.09309494451294698,0.4983004758667573,0.5016995241332427,0.5894039735099338,0.4105960264900662,0.5333333333333333,0.4666666666666667,0,4,disabled e3,0.7267217636108398,0.5827814340591431,0.5987260937690735,0.5827814340591431,1.1815075874328613,0.6911764740943909,0.5280898809432983,0.6252265572547913,0.7384204864501953,0.6666666865348816,0.6666666865348816,0.6666666865348816,1.3333333730697632,0.7142857313156128,0.625,0.6785714626312256,512,16,2.609230449389315e-05,0.17515540793383313,concat,13,74.0,13.0
+2,uniprot,1471,151,0.906905055487053,0.09309494451294698,0.4983004758667573,0.5016995241332427,0.5894039735099338,0.4105960264900662,0.5333333333333333,0.4666666666666667,0,4,disabled cell,0.7527959942817688,0.5894039869308472,0.6172839403152466,0.5894039869308472,1.2066879272460938,0.6849315166473389,0.5617977380752563,0.6131750345230103,0.7198907136917114,0.6000000238418579,0.5714285969734192,0.6000000238418579,1.1714286804199219,0.6666666865348816,0.5,0.7142857313156128,512,16,2.609230449389315e-05,0.17515540793383313,concat,13,74.0,13.0
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+3,uniprot,1304,318,0.8039457459926017,0.1960542540073983,0.5015337423312883,0.49846625766871167,0.5283018867924528,0.4716981132075472,0.5333333333333333,0.4666666666666667,0,68,disabled smiles,0.8884153366088867,0.553459107875824,0.5670731663703918,0.553459107875824,1.1205322742462158,0.581250011920929,0.5535714030265808,0.6192063093185425,0.7526969909667969,0.7333333492279053,0.6666666865348816,0.7333333492279053,1.4000000953674316,1.0,0.5,0.7678571343421936,512,32,1.2716283965868167e-05,0.469016032280924,concat,10,66.0,21.0
+3,uniprot,1304,318,0.8039457459926017,0.1960542540073983,0.5015337423312883,0.49846625766871167,0.5283018867924528,0.4716981132075472,0.5333333333333333,0.4666666666666667,0,68,disabled poi,0.6655875444412231,0.597484290599823,0.6321839094161987,0.597484290599823,1.229668140411377,0.6111111044883728,0.6547619104385376,0.6521825790405273,0.6536721587181091,0.6000000238418579,0.6666666865348816,0.6000000238418579,1.2666666507720947,0.6000000238418579,0.75,0.6607142686843872,512,32,1.2716283965868167e-05,0.469016032280924,concat,10,66.0,21.0
+3,uniprot,1304,318,0.8039457459926017,0.1960542540073983,0.5015337423312883,0.49846625766871167,0.5283018867924528,0.4716981132075472,0.5333333333333333,0.4666666666666667,0,68,disabled e3,0.8934500813484192,0.5817610025405884,0.6006006002426147,0.5817610025405884,1.1823616027832031,0.6060606241226196,0.5952380895614624,0.6084524393081665,0.8040154576301575,0.7333333492279053,0.7142857313156128,0.7333333492279053,1.447619080543518,0.8333333134651184,0.625,0.75,512,32,1.2716283965868167e-05,0.469016032280924,concat,10,66.0,21.0
+3,uniprot,1304,318,0.8039457459926017,0.1960542540073983,0.5015337423312883,0.49846625766871167,0.5283018867924528,0.4716981132075472,0.5333333333333333,0.4666666666666667,0,68,disabled cell,0.9074573516845703,0.5566037893295288,0.5865102410316467,0.5566037893295288,1.1431140899658203,0.5780346989631653,0.5952380895614624,0.6011309027671814,0.8583289980888367,0.5333333611488342,0.3636363744735718,0.5333333611488342,0.896969735622406,0.6666666865348816,0.25,0.6428571343421936,512,32,1.2716283965868167e-05,0.469016032280924,concat,10,66.0,21.0
+3,uniprot,1304,318,0.8039457459926017,0.1960542540073983,0.5015337423312883,0.49846625766871167,0.5283018867924528,0.4716981132075472,0.5333333333333333,0.4666666666666667,0,68,disabled poi e3 smiles,0.6567831635475159,0.5786163806915283,0.5914633870124817,0.5786163806915283,1.1700797080993652,0.606249988079071,0.5773809552192688,0.6457738280296326,0.6942023634910583,0.46666666865348816,0.5555555820465088,0.46666666865348816,1.0222222805023193,0.5,0.625,0.5982142686843872,512,32,1.2716283965868167e-05,0.469016032280924,concat,10,66.0,21.0
+3,uniprot,1304,318,0.8039457459926017,0.1960542540073983,0.5015337423312883,0.49846625766871167,0.5283018867924528,0.4716981132075472,0.5333333333333333,0.4666666666666667,0,68,disabled poi e3 cell,0.7466429471969604,0.5125786066055298,0.3921568691730499,0.5125786066055298,0.9047354459762573,0.5747126340866089,0.2976190447807312,0.6172420978546143,0.662114143371582,0.5333333611488342,0.4615384638309479,0.5333333611488342,0.9948718547821045,0.6000000238418579,0.375,0.6964285373687744,512,32,1.2716283965868167e-05,0.469016032280924,concat,10,66.0,21.0
+4,uniprot,1417,205,0.8736128236744759,0.12638717632552404,0.49047282992237123,0.5095271700776288,0.6195121951219512,0.3804878048780488,0.5333333333333333,0.4666666666666667,0,59,,0.6684699654579163,0.5756097435951233,0.703071653842926,0.5756097435951233,1.2786813974380493,0.6204819083213806,0.8110235929489136,0.540076732635498,0.6706098318099976,0.6666666865348816,0.7058823704719543,0.6666666865348816,1.372549057006836,0.6666666865348816,0.75,0.6071428656578064,768,16,1.0596199284224198e-05,0.1315542788811256,sum,4,69.0,18.0
+4,uniprot,1417,205,0.8736128236744759,0.12638717632552404,0.49047282992237123,0.5095271700776288,0.6195121951219512,0.3804878048780488,0.5333333333333333,0.4666666666666667,0,59,disabled smiles,0.8958898186683655,0.5365853905677795,0.6025104522705078,0.5365853905677795,1.1390957832336426,0.6428571343421936,0.5669291615486145,0.5397234559059143,0.6518396735191345,0.800000011920929,0.800000011920929,0.800000011920929,1.600000023841858,0.8571428656578064,0.75,0.785714328289032,768,16,1.0596199284224198e-05,0.1315542788811256,sum,4,69.0,18.0
+4,uniprot,1417,205,0.8736128236744759,0.12638717632552404,0.49047282992237123,0.5095271700776288,0.6195121951219512,0.3804878048780488,0.5333333333333333,0.4666666666666667,0,59,disabled poi,0.7968298196792603,0.5365853905677795,0.5922746658325195,0.5365853905677795,1.1288599967956543,0.650943398475647,0.5433070659637451,0.5578437447547913,0.7087083458900452,0.6000000238418579,0.5714285969734192,0.6000000238418579,1.1714286804199219,0.6666666865348816,0.5,0.6607142686843872,768,16,1.0596199284224198e-05,0.1315542788811256,sum,4,69.0,18.0
+4,uniprot,1417,205,0.8736128236744759,0.12638717632552404,0.49047282992237123,0.5095271700776288,0.6195121951219512,0.3804878048780488,0.5333333333333333,0.4666666666666667,0,59,disabled e3,0.8901869654655457,0.4731707274913788,0.5178571343421936,0.4731707274913788,0.99102783203125,0.5979381203651428,0.4566929042339325,0.538865327835083,0.9347909092903137,0.5333333611488342,0.4615384638309479,0.5333333611488342,0.9948718547821045,0.6000000238418579,0.375,0.6428571343421936,768,16,1.0596199284224198e-05,0.1315542788811256,sum,4,69.0,18.0
+4,uniprot,1417,205,0.8736128236744759,0.12638717632552404,0.49047282992237123,0.5095271700776288,0.6195121951219512,0.3804878048780488,0.5333333333333333,0.4666666666666667,0,59,disabled cell,0.7486093640327454,0.5853658318519592,0.6351931095123291,0.5853658318519592,1.2205588817596436,0.698113203048706,0.5826771855354309,0.5893397331237793,0.7740308046340942,0.6000000238418579,0.5,0.6000000238418579,1.100000023841858,0.75,0.375,0.7142857313156128,768,16,1.0596199284224198e-05,0.1315542788811256,sum,4,69.0,18.0
+4,uniprot,1417,205,0.8736128236744759,0.12638717632552404,0.49047282992237123,0.5095271700776288,0.6195121951219512,0.3804878048780488,0.5333333333333333,0.4666666666666667,0,59,disabled poi e3 smiles,0.7783341407775879,0.49268293380737305,0.5398229956626892,0.49268293380737305,1.032505989074707,0.6161616444587708,0.4803149700164795,0.4216131865978241,0.6777276396751404,0.6000000238418579,0.625,0.6000000238418579,1.225000023841858,0.625,0.625,0.5803570747375488,768,16,1.0596199284224198e-05,0.1315542788811256,sum,4,69.0,18.0
+4,uniprot,1417,205,0.8736128236744759,0.12638717632552404,0.49047282992237123,0.5095271700776288,0.6195121951219512,0.3804878048780488,0.5333333333333333,0.4666666666666667,0,59,disabled poi e3 cell,0.7196999788284302,0.5609756112098694,0.6715328693389893,0.5609756112098694,1.2325084209442139,0.6258503198623657,0.7244094610214233,0.566575825214386,0.797333300113678,0.6000000238418579,0.6666666865348816,0.6000000238418579,1.2666666507720947,0.6000000238418579,0.75,0.5892857313156128,768,16,1.0596199284224198e-05,0.1315542788811256,sum,4,69.0,18.0
+0,tanimoto,1333,289,0.8218249075215783,0.1781750924784217,0.5138784696174044,0.48612153038259565,0.4740484429065744,0.5259515570934256,0.5333333333333333,0.4666666666666667,48,0,,0.6566728949546814,0.7093425393104553,0.7454545497894287,0.7093425393104553,1.4547970294952393,0.6373056769371033,0.8978102207183838,0.8492605090141296,0.9918283820152283,0.6666666865348816,0.7058823704719543,0.6666666865348816,1.372549057006836,0.6666666865348816,0.75,0.7142857313156128,768,16,0.0002956066784800605,0.39955710232796904,concat,13,145.0,41.0
+0,tanimoto,1333,289,0.8218249075215783,0.1781750924784217,0.5138784696174044,0.48612153038259565,0.4740484429065744,0.5259515570934256,0.5333333333333333,0.4666666666666667,48,0,disabled smiles,0.5969253182411194,0.633217990398407,0.6214285492897034,0.633217990398407,1.2546465396881104,0.6083915829658508,0.6350364685058594,0.713959813117981,0.7185583710670471,0.6666666865348816,0.6666666865348816,0.6666666865348816,1.3333333730697632,0.7142857313156128,0.625,0.7857142686843872,768,16,0.0002956066784800605,0.39955710232796904,concat,13,145.0,41.0
+0,tanimoto,1333,289,0.8218249075215783,0.1781750924784217,0.5138784696174044,0.48612153038259565,0.4740484429065744,0.5259515570934256,0.5333333333333333,0.4666666666666667,48,0,disabled poi,0.5578636527061462,0.7266436219215393,0.7247386574745178,0.7266436219215393,1.4513822793960571,0.6933333277702332,0.7591241002082825,0.7950682044029236,0.6439716219902039,0.6666666865348816,0.7368420958518982,0.6666666865348816,1.4035087823867798,0.6363636255264282,0.875,0.6785714626312256,768,16,0.0002956066784800605,0.39955710232796904,concat,13,145.0,41.0
+0,tanimoto,1333,289,0.8218249075215783,0.1781750924784217,0.5138784696174044,0.48612153038259565,0.4740484429065744,0.5259515570934256,0.5333333333333333,0.4666666666666667,48,0,disabled e3,0.5662842392921448,0.7370242476463318,0.7054263353347778,0.7370242476463318,1.4424505233764648,0.7520661354064941,0.6642335653305054,0.7862563133239746,0.8331516981124878,0.6000000238418579,0.4000000059604645,0.6000000238418579,1.0,1.0,0.25,0.625,768,16,0.0002956066784800605,0.39955710232796904,concat,13,145.0,41.0
+0,tanimoto,1333,289,0.8218249075215783,0.1781750924784217,0.5138784696174044,0.48612153038259565,0.4740484429065744,0.5259515570934256,0.5333333333333333,0.4666666666666667,48,0,disabled cell,0.6099948287010193,0.6401383876800537,0.5593220591545105,0.6401383876800537,1.199460506439209,0.6666666865348816,0.48175182938575745,0.7346811294555664,0.9085233211517334,0.5333333611488342,0.3636363744735718,0.5333333611488342,0.896969735622406,0.6666666865348816,0.25,0.6607142686843872,768,16,0.0002956066784800605,0.39955710232796904,concat,13,145.0,41.0
+0,tanimoto,1333,289,0.8218249075215783,0.1781750924784217,0.5138784696174044,0.48612153038259565,0.4740484429065744,0.5259515570934256,0.5333333333333333,0.4666666666666667,48,0,disabled poi e3 smiles,0.613977313041687,0.6401383876800537,0.6438356041908264,0.6401383876800537,1.2839739322662354,0.6064516305923462,0.6861313581466675,0.7225557565689087,0.6597888469696045,0.46666666865348816,0.5555555820465088,0.46666666865348816,1.0222222805023193,0.5,0.625,0.6071428060531616,768,16,0.0002956066784800605,0.39955710232796904,concat,13,145.0,41.0
+0,tanimoto,1333,289,0.8218249075215783,0.1781750924784217,0.5138784696174044,0.48612153038259565,0.4740484429065744,0.5259515570934256,0.5333333333333333,0.4666666666666667,48,0,disabled poi e3 cell,0.5845813751220703,0.6435986161231995,0.5502183437347412,0.6435986161231995,1.193816900253296,0.6847826242446899,0.45985400676727295,0.7691125869750977,0.6974576115608215,0.5333333611488342,0.5333333611488342,0.5333333611488342,1.0666667222976685,0.5714285969734192,0.5,0.625,768,16,0.0002956066784800605,0.39955710232796904,concat,13,145.0,41.0
+1,tanimoto,1257,365,0.7749691738594328,0.22503082614056721,0.5051710421638823,0.49482895783611774,0.5123287671232877,0.4876712328767123,0.5333333333333333,0.4666666666666667,55,0,,0.5779410600662231,0.7452054619789124,0.7533156275749207,0.7452054619789124,1.498521089553833,0.7473683953285217,0.759358286857605,0.8218921422958374,1.3850903511047363,0.6000000238418579,0.625,0.6000000238418579,1.225000023841858,0.625,0.625,0.625,512,8,0.000700865394396496,0.398201449329416,concat,10,148.0,38.0
+1,tanimoto,1257,365,0.7749691738594328,0.22503082614056721,0.5051710421638823,0.49482895783611774,0.5123287671232877,0.4876712328767123,0.5333333333333333,0.4666666666666667,55,0,disabled smiles,0.5337751507759094,0.7397260069847107,0.7732697129249573,0.7397260069847107,1.512995719909668,0.6982758641242981,0.866310179233551,0.7970017194747925,0.6385128498077393,0.7333333492279053,0.7142857313156128,0.7333333492279053,1.447619080543518,0.8333333134651184,0.625,0.7321428656578064,512,8,0.000700865394396496,0.398201449329416,concat,10,148.0,38.0
+1,tanimoto,1257,365,0.7749691738594328,0.22503082614056721,0.5051710421638823,0.49482895783611774,0.5123287671232877,0.4876712328767123,0.5333333333333333,0.4666666666666667,55,0,disabled poi,0.6397387385368347,0.6547945141792297,0.5987260937690735,0.6547945141792297,1.2535206079483032,0.7401574850082397,0.5026738047599792,0.7415429949760437,0.7528460025787354,0.6666666865348816,0.6666666865348816,0.6666666865348816,1.3333333730697632,0.7142857313156128,0.625,0.5714285373687744,512,8,0.000700865394396496,0.398201449329416,concat,10,148.0,38.0
+1,tanimoto,1257,365,0.7749691738594328,0.22503082614056721,0.5051710421638823,0.49482895783611774,0.5123287671232877,0.4876712328767123,0.5333333333333333,0.4666666666666667,55,0,disabled e3,0.5373277068138123,0.7315068244934082,0.7307692170143127,0.7315068244934082,1.4622759819030762,0.7514124512672424,0.7112299203872681,0.8072913885116577,0.7278484106063843,0.6666666865348816,0.6153846383094788,0.6666666865348816,1.2820513248443604,0.800000011920929,0.5,0.6964285373687744,512,8,0.000700865394396496,0.398201449329416,concat,10,148.0,38.0
+1,tanimoto,1257,365,0.7749691738594328,0.22503082614056721,0.5051710421638823,0.49482895783611774,0.5123287671232877,0.4876712328767123,0.5333333333333333,0.4666666666666667,55,0,disabled cell,0.5791873335838318,0.6630136966705322,0.6495726704597473,0.6630136966705322,1.3125863075256348,0.6951219439506531,0.6096256971359253,0.7688968181610107,0.7327932715415955,0.5333333611488342,0.3636363744735718,0.5333333611488342,0.896969735622406,0.6666666865348816,0.25,0.7321428060531616,512,8,0.000700865394396496,0.398201449329416,concat,10,148.0,38.0
+1,tanimoto,1257,365,0.7749691738594328,0.22503082614056721,0.5051710421638823,0.49482895783611774,0.5123287671232877,0.4876712328767123,0.5333333333333333,0.4666666666666667,55,0,disabled poi e3 smiles,0.6139644384384155,0.6575342416763306,0.6056782603263855,0.6575342416763306,1.2632124423980713,0.7384615540504456,0.5133689641952515,0.7395601272583008,0.7011074423789978,0.6000000238418579,0.625,0.6000000238418579,1.225000023841858,0.625,0.625,0.5089285373687744,512,8,0.000700865394396496,0.398201449329416,concat,10,148.0,38.0
+1,tanimoto,1257,365,0.7749691738594328,0.22503082614056721,0.5051710421638823,0.49482895783611774,0.5123287671232877,0.4876712328767123,0.5333333333333333,0.4666666666666667,55,0,disabled poi e3 cell,0.6581935286521912,0.5972602963447571,0.5835694074630737,0.5972602963447571,1.1808297634124756,0.6204819083213806,0.5508021116256714,0.6667367219924927,0.665745735168457,0.6666666865348816,0.7058823704719543,0.6666666865348816,1.372549057006836,0.6666666865348816,0.75,0.6428571343421936,512,8,0.000700865394396496,0.398201449329416,concat,10,148.0,38.0
+2,tanimoto,1218,404,0.750924784217016,0.24907521578298397,0.5032840722495895,0.4967159277504105,0.5173267326732673,0.48267326732673266,0.5333333333333333,0.4666666666666667,56,0,,0.5117613077163696,0.7079207897186279,0.7281106114387512,0.7079207897186279,1.4360313415527344,0.7022222280502319,0.7559808492660522,0.8145625591278076,0.973922848701477,0.46666666865348816,0.4285714328289032,0.46666666865348816,0.8952381014823914,0.5,0.375,0.6785714626312256,768,8,0.0002919672930596561,0.25399714128701256,sum,9,147.0,39.0
+2,tanimoto,1218,404,0.750924784217016,0.24907521578298397,0.5032840722495895,0.4967159277504105,0.5173267326732673,0.48267326732673266,0.5333333333333333,0.4666666666666667,56,0,disabled smiles,0.5573590993881226,0.6955445408821106,0.7198177576065063,0.6955445408821106,1.4153623580932617,0.686956524848938,0.7559808492660522,0.7629984021186829,0.661697506904602,0.800000011920929,0.7692307829856873,0.800000011920929,1.5692307949066162,1.0,0.625,0.75,768,8,0.0002919672930596561,0.25399714128701256,sum,9,147.0,39.0
+2,tanimoto,1218,404,0.750924784217016,0.24907521578298397,0.5032840722495895,0.4967159277504105,0.5173267326732673,0.48267326732673266,0.5333333333333333,0.4666666666666667,56,0,disabled poi,0.6159401535987854,0.6782178282737732,0.6844660043716431,0.6782178282737732,1.3626837730407715,0.6945812702178955,0.6746411323547363,0.7186847925186157,0.7008838653564453,0.6666666865348816,0.7368420958518982,0.6666666865348816,1.4035087823867798,0.6363636255264282,0.875,0.5714285373687744,768,8,0.0002919672930596561,0.25399714128701256,sum,9,147.0,39.0
+2,tanimoto,1218,404,0.750924784217016,0.24907521578298397,0.5032840722495895,0.4967159277504105,0.5173267326732673,0.48267326732673266,0.5333333333333333,0.4666666666666667,56,0,disabled e3,0.5904513001441956,0.7079207897186279,0.7704280018806458,0.7079207897186279,1.478348731994629,0.6491803526878357,0.9473684430122375,0.7803336381912231,0.6617818474769592,0.6000000238418579,0.625,0.6000000238418579,1.225000023841858,0.625,0.625,0.6785714626312256,768,8,0.0002919672930596561,0.25399714128701256,sum,9,147.0,39.0
+2,tanimoto,1218,404,0.750924784217016,0.24907521578298397,0.5032840722495895,0.4967159277504105,0.5173267326732673,0.48267326732673266,0.5333333333333333,0.4666666666666667,56,0,disabled cell,0.6135572195053101,0.6757425665855408,0.7485604882240295,0.6757425665855408,1.4243030548095703,0.625,0.9330143332481384,0.7555146217346191,0.591228187084198,0.7333333492279053,0.75,0.7333333492279053,1.4833333492279053,0.75,0.75,0.75,768,8,0.0002919672930596561,0.25399714128701256,sum,9,147.0,39.0
+2,tanimoto,1218,404,0.750924784217016,0.24907521578298397,0.5032840722495895,0.4967159277504105,0.5173267326732673,0.48267326732673266,0.5333333333333333,0.4666666666666667,56,0,disabled poi e3 smiles,0.6426060199737549,0.6485148668289185,0.6787330508232117,0.6485148668289185,1.3272478580474854,0.6437768340110779,0.7177033424377441,0.6832903623580933,0.706602931022644,0.46666666865348816,0.5555555820465088,0.46666666865348816,1.0222222805023193,0.5,0.625,0.6517857313156128,768,8,0.0002919672930596561,0.25399714128701256,sum,9,147.0,39.0
+2,tanimoto,1218,404,0.750924784217016,0.24907521578298397,0.5032840722495895,0.4967159277504105,0.5173267326732673,0.48267326732673266,0.5333333333333333,0.4666666666666667,56,0,disabled poi e3 cell,0.6541669368743896,0.6064356565475464,0.6074073910713196,0.6064356565475464,1.2138431072235107,0.6275510191917419,0.5885167717933655,0.6649245619773865,0.7067176699638367,0.6666666865348816,0.6666666865348816,0.6666666865348816,1.3333333730697632,0.7142857313156128,0.625,0.625,768,8,0.0002919672930596561,0.25399714128701256,sum,9,147.0,39.0
+3,tanimoto,1409,213,0.8686806411837238,0.1313193588162762,0.5131298793470547,0.4868701206529453,0.4647887323943662,0.5352112676056338,0.5333333333333333,0.4666666666666667,45,0,,0.5158426761627197,0.7417840361595154,0.7441860437393188,0.7417840361595154,1.4859700202941895,0.6896551847457886,0.808080792427063,0.8327131271362305,0.8023006319999695,0.6666666865348816,0.6666666865348816,0.6666666865348816,1.3333333730697632,0.7142857313156128,0.625,0.714285671710968,768,8,0.0003530669035323937,0.47942509759655416,sum,3,156.0,30.0
+3,tanimoto,1409,213,0.8686806411837238,0.1313193588162762,0.5131298793470547,0.4868701206529453,0.4647887323943662,0.5352112676056338,0.5333333333333333,0.4666666666666667,45,0,disabled smiles,0.5784711241722107,0.67136150598526,0.672897219657898,0.67136150598526,1.3442587852478027,0.626086950302124,0.7272727489471436,0.7409179210662842,0.7082887887954712,0.5333333611488342,0.4615384638309479,0.5333333611488342,0.9948718547821045,0.6000000238418579,0.375,0.7142857313156128,768,8,0.0003530669035323937,0.47942509759655416,sum,3,156.0,30.0
+3,tanimoto,1409,213,0.8686806411837238,0.1313193588162762,0.5131298793470547,0.4868701206529453,0.4647887323943662,0.5352112676056338,0.5333333333333333,0.4666666666666667,45,0,disabled poi,0.5384092926979065,0.751173734664917,0.7195767164230347,0.751173734664917,1.4707504510879517,0.7555555701255798,0.6868686676025391,0.8060871958732605,0.5947254300117493,0.6666666865348816,0.6666666865348816,0.6666666865348816,1.3333333730697632,0.7142857313156128,0.625,0.7321428656578064,768,8,0.0003530669035323937,0.47942509759655416,sum,3,156.0,30.0
+3,tanimoto,1409,213,0.8686806411837238,0.1313193588162762,0.5131298793470547,0.4868701206529453,0.4647887323943662,0.5352112676056338,0.5333333333333333,0.4666666666666667,45,0,disabled e3,0.5834278464317322,0.7089201807975769,0.6555555462837219,0.7089201807975769,1.3644757270812988,0.7283950448036194,0.5959596037864685,0.7982456088066101,0.8364347219467163,0.6000000238418579,0.5,0.6000000238418579,1.100000023841858,0.75,0.375,0.7142857313156128,768,8,0.0003530669035323937,0.47942509759655416,sum,3,156.0,30.0
+3,tanimoto,1409,213,0.8686806411837238,0.1313193588162762,0.5131298793470547,0.4868701206529453,0.4647887323943662,0.5352112676056338,0.5333333333333333,0.4666666666666667,45,0,disabled cell,0.5600396394729614,0.7183098793029785,0.6938775777816772,0.7183098793029785,1.4121874570846558,0.7010309100151062,0.6868686676025391,0.7860180735588074,0.7556562423706055,0.5333333611488342,0.4615384638309479,0.5333333611488342,0.9948718547821045,0.6000000238418579,0.375,0.6785714030265808,768,8,0.0003530669035323937,0.47942509759655416,sum,3,156.0,30.0
+3,tanimoto,1409,213,0.8686806411837238,0.1313193588162762,0.5131298793470547,0.4868701206529453,0.4647887323943662,0.5352112676056338,0.5333333333333333,0.4666666666666667,45,0,disabled poi e3 smiles,0.6138718128204346,0.6666666865348816,0.589595377445221,0.6666666865348816,1.2562620639801025,0.6891891956329346,0.5151515007019043,0.7269626259803772,0.6497844457626343,0.5333333611488342,0.5882353186607361,0.5333333611488342,1.1215686798095703,0.5555555820465088,0.625,0.6517857313156128,768,8,0.0003530669035323937,0.47942509759655416,sum,3,156.0,30.0
+3,tanimoto,1409,213,0.8686806411837238,0.1313193588162762,0.5131298793470547,0.4868701206529453,0.4647887323943662,0.5352112676056338,0.5333333333333333,0.4666666666666667,45,0,disabled poi e3 cell,0.5986706018447876,0.7136150002479553,0.7336244583129883,0.7136150002479553,1.4472393989562988,0.6461538672447205,0.8484848737716675,0.7913343906402588,0.7030268311500549,0.6000000238418579,0.6666666865348816,0.6000000238418579,1.2666666507720947,0.6000000238418579,0.75,0.6428571343421936,768,8,0.0003530669035323937,0.47942509759655416,sum,3,156.0,30.0
+4,tanimoto,1271,351,0.7836004932182491,0.21639950678175093,0.4972462627852085,0.5027537372147916,0.5413105413105413,0.4586894586894587,0.5333333333333333,0.4666666666666667,60,0,,0.750713050365448,0.7065526843070984,0.7031700015068054,0.7065526843070984,1.4097226858139038,0.7770700454711914,0.6421052813529968,0.8053611516952515,1.0916601419448853,0.7333333492279053,0.75,0.7333333492279053,1.4833333492279053,0.75,0.75,0.6964285373687744,512,16,0.00033257169629809707,0.1600242815563154,concat,3,148.0,38.0
+4,tanimoto,1271,351,0.7836004932182491,0.21639950678175093,0.4972462627852085,0.5027537372147916,0.5413105413105413,0.4586894586894587,0.5333333333333333,0.4666666666666667,60,0,disabled smiles,0.5662293434143066,0.692307710647583,0.7216494679450989,0.692307710647583,1.413957118988037,0.7070707082748413,0.7368420958518982,0.7589244842529297,0.6395472288131714,0.800000011920929,0.800000011920929,0.800000011920929,1.600000023841858,0.8571428656578064,0.75,0.8035714626312256,512,16,0.00033257169629809707,0.1600242815563154,concat,3,148.0,38.0
+4,tanimoto,1271,351,0.7836004932182491,0.21639950678175093,0.4972462627852085,0.5027537372147916,0.5413105413105413,0.4586894586894587,0.5333333333333333,0.4666666666666667,60,0,disabled poi,0.681481659412384,0.6039885878562927,0.5669782161712646,0.6039885878562927,1.1709668636322021,0.694656491279602,0.47894737124443054,0.6958319544792175,0.6555623412132263,0.6000000238418579,0.5714285969734192,0.6000000238418579,1.1714286804199219,0.6666666865348816,0.5,0.7142857313156128,512,16,0.00033257169629809707,0.1600242815563154,concat,3,148.0,38.0
+4,tanimoto,1271,351,0.7836004932182491,0.21639950678175093,0.4972462627852085,0.5027537372147916,0.5413105413105413,0.4586894586894587,0.5333333333333333,0.4666666666666667,60,0,disabled e3,0.5916459560394287,0.6951566934585571,0.6968838572502136,0.6951566934585571,1.392040491104126,0.754601240158081,0.6473684310913086,0.7740274667739868,0.7728910446166992,0.6000000238418579,0.5,0.6000000238418579,1.100000023841858,0.75,0.375,0.7142857313156128,512,16,0.00033257169629809707,0.1600242815563154,concat,3,148.0,38.0
+4,tanimoto,1271,351,0.7836004932182491,0.21639950678175093,0.4972462627852085,0.5027537372147916,0.5413105413105413,0.4586894586894587,0.5333333333333333,0.4666666666666667,60,0,disabled cell,0.6486825346946716,0.6438746452331543,0.6081504821777344,0.6438746452331543,1.2520251274108887,0.751937985420227,0.5105262994766235,0.7511441707611084,0.8840056657791138,0.6000000238418579,0.5,0.6000000238418579,1.100000023841858,0.75,0.375,0.6964285373687744,512,16,0.00033257169629809707,0.1600242815563154,concat,3,148.0,38.0
+4,tanimoto,1271,351,0.7836004932182491,0.21639950678175093,0.4972462627852085,0.5027537372147916,0.5413105413105413,0.4586894586894587,0.5333333333333333,0.4666666666666667,60,0,disabled poi e3 smiles,0.6379120945930481,0.6524216532707214,0.6666666865348816,0.6524216532707214,1.319088339805603,0.6931818127632141,0.6421052813529968,0.6884112358093262,0.6618016958236694,0.6000000238418579,0.699999988079071,0.6000000238418579,1.2999999523162842,0.5833333134651184,0.875,0.6964285373687744,512,16,0.00033257169629809707,0.1600242815563154,concat,3,148.0,38.0
+4,tanimoto,1271,351,0.7836004932182491,0.21639950678175093,0.4972462627852085,0.5027537372147916,0.5413105413105413,0.4586894586894587,0.5333333333333333,0.4666666666666667,60,0,disabled poi e3 cell,0.6845364570617676,0.5925925970077515,0.5705705881118774,0.5925925970077515,1.163163185119629,0.6643356680870056,0.5,0.6454233527183533,0.7186933159828186,0.6000000238418579,0.5714285969734192,0.6000000238418579,1.1714286804199219,0.6666666865348816,0.5,0.5892857313156128,512,16,0.00033257169629809707,0.1600242815563154,concat,3,148.0,38.0