DDAMO / beam_cvar /active_loop_log.jsonl
trevorbchen's picture
Add files using upload-large-folder tool
bfed8f8 verified
Raw
History Blame Contribute Delete
149 kB
{"epoch": 0, "f_star": -0.8564075231552124, "best_smiles": "O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CC[NH+]2CCC[C@H]2C1", "n_oracle_calls": 25, "mean_sigma": NaN, "spearman_rho": 0.9999999999999999, "tau": -1.0138811349868775, "elapsed_sec": 83.41853404045105, "epoch_fa_scores": [-1.5509594678878784, -1.5030888319015503, -1.45598566532135, -1.5491786003112793, -1.0671495199203491, -1.359463095664978, -1.001546025276184, -1.3832134008407593, -0.9470984935760498, -1.1547822952270508, -1.3869283199310303, -0.9003857374191284, -1.3790571689605713, -1.623762607574463, -1.1513844728469849, -1.0658314228057861, -1.152042269706726, -1.4877585172653198, -1.0785722732543945, -1.5671335458755493, -0.9125537872314453, -1.4212290048599243, -1.276689052581787, -0.8564075231552124, -1.0169649124145508]}
{"epoch": 0, "f_star": -0.6826716661453247, "best_smiles": "Cc1nnc(NC(=O)[C@H]2CCN(c3cccc(Br)c3)C2)s1", "n_oracle_calls": 25, "mean_sigma": NaN, "spearman_rho": 0.9999999999999999, "tau": -0.9973441243171692, "elapsed_sec": 93.45896363258362, "epoch_fa_scores": [-0.6826716661453247, -0.9945209622383118, -1.0118632316589355, -0.9874352812767029, -1.1496777534484863, -0.8713750839233398, -1.149909496307373, -1.1481043100357056, -1.5221627950668335, -1.575952410697937, -1.0957517623901367, -1.0491725206375122, -1.0097638368606567, -1.3001434803009033, -0.9512333869934082, -1.4377679824829102, -1.1671271324157715, -1.210133671760559, -0.9980499148368835, -1.4851149320602417, -1.0669745206832886, -1.0042304992675781, -1.5978646278381348, -1.698034405708313, -1.3821818828582764]}
{"epoch": 1, "f_star": -0.4561960995197296, "best_smiles": "Cc1ccc2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc2n1", "n_oracle_calls": 33, "mean_sigma": 0.014291992411017418, "spearman_rho": 1.0, "tau": -0.9104671716690063, "elapsed_sec": 47.37844681739807, "epoch_fa_scores": [-0.5135908126831055, -0.4561960995197296, -0.8832896947860718, -1.1175166368484497, -1.0415993928909302, -0.8492461442947388, -0.8445266485214233, -0.9882267713546753]}
{"epoch": 2, "f_star": -0.3409632444381714, "best_smiles": "Cc1ccc(C(=O)N2CCN(c3ccc(Cl)c(F)c3)CC2)cc1Cl", "n_oracle_calls": 58, "mean_sigma": 0.009214384481310844, "spearman_rho": 0.990909090909091, "tau": -0.6559744596481323, "elapsed_sec": 44.23563194274902, "epoch_fa_scores": [-1.2130428552627563, -1.5754680633544922, -1.568922996520996, -1.6927955150604248, -1.4771085977554321, -1.4135411977767944, -1.7309170961380005, -0.4014861285686493, -0.5204815864562988, -0.6381763219833374, -0.518436849117279, -0.5331125259399414, -0.5547366142272949, -0.523508608341217, -0.8095061182975769, -0.8764186501502991, -0.8690412640571594, -1.1968297958374023, -0.9224396347999573, -0.8984481692314148, -0.8855443000793457, -0.9172295928001404, -0.41542914509773254, -0.5035738945007324, -0.3409632444381714]}
{"epoch": 3, "f_star": -0.21165651082992554, "best_smiles": "Cc1nc2ccc(C(=O)N3CCN(c4ccc(F)cc4F)CC3)cc2[nH]1", "n_oracle_calls": 83, "mean_sigma": 0.008933119475841522, "spearman_rho": 0.9647058823529412, "tau": -0.5155292272567749, "elapsed_sec": 46.47458219528198, "epoch_fa_scores": [-0.8521776795387268, -0.7509074211120605, -0.7191147804260254, -0.7706787586212158, -0.9740220904350281, -0.8264164328575134, -0.9111027717590332, -0.9206465482711792, -0.28718385100364685, -0.3192746043205261, -0.5355963110923767, -0.34079357981681824, -0.355476051568985, -0.5920679569244385, -0.21165651082992554, -0.4913322925567627, -0.47013217210769653, -0.4562005400657654, -0.455487996339798, -0.3896002173423767, -0.5273677706718445, -0.5416423082351685, -0.5842468738555908, -0.5119622945785522, -0.8637084364891052]}
{"epoch": 0, "f_star": -0.3383174538612366, "best_smiles": "CC(C)c1ccc(NC(=O)c2c(Cl)cc(Br)cc2Br)cc1", "n_oracle_calls": 25, "mean_sigma": NaN, "spearman_rho": 0.9999999999999999, "tau": -1.0389607191085815, "elapsed_sec": 91.34532642364502, "epoch_fa_scores": [-1.4287382364273071, -1.8160090446472168, -1.5168933868408203, -1.5740442276000977, -1.5840524435043335, -1.5240401029586792, -1.2501678466796875, -0.9283071756362915, -1.0312228202819824, -1.040613055229187, -1.1334763765335083, -1.4973267316818237, -1.2890071868896484, -1.0323513746261597, -1.2627191543579102, -1.9353891611099243, -0.3383174538612366, -1.1666178703308105, -1.4805094003677368, -1.060208797454834, -1.0244719982147217, -1.1747479438781738, -1.1816353797912598, -1.2337135076522827, -1.3478294610977173]}
{"epoch": 1, "f_star": -0.2821487486362457, "best_smiles": "O=C(c1cc(F)c(F)c(F)c1)N1CCN(c2ccc(Cl)cc2)CC1", "n_oracle_calls": 50, "mean_sigma": 0.011039826087653637, "spearman_rho": 0.9999999999999999, "tau": -0.7001239776611328, "elapsed_sec": 42.86562418937683, "epoch_fa_scores": [-0.8805984854698181, -0.8057733178138733, -0.8573198914527893, -1.0151337385177612, -0.7607821226119995, -0.6758471727371216, -0.9279705286026001, -0.8907734751701355, -0.5726432204246521, -0.6765716075897217, -0.7060120701789856, -0.777770459651947, -1.15114426612854, -1.189172625541687, -1.0174816846847534, -1.5337283611297607, -1.748706579208374, -0.5188564658164978, -0.2821487486362457, -0.3937568664550781, -0.34549617767333984, -0.5772750973701477, -0.902232825756073, -0.554575502872467, -0.9885050058364868]}
{"epoch": 2, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 75, "mean_sigma": 0.015059647150337696, "spearman_rho": 0.9964285714285712, "tau": -0.5474316954612731, "elapsed_sec": 43.43153667449951, "epoch_fa_scores": [-0.7574612498283386, -0.7420129776000977, -0.8270335793495178, -0.9109107255935669, -0.8678145408630371, -1.0166269540786743, -0.8899626731872559, -0.9736497402191162, -0.4842990040779114, -0.7928505539894104, -0.7486432790756226, -0.6616812348365784, -0.5593987107276917, -0.5863934755325317, -0.36131054162979126, -0.3523825705051422, -0.35920727252960205, -0.3674042820930481, -0.34603679180145264, -0.8438023328781128, -0.8547812104225159, 0.32991090416908264, 0.20907877385616302, 0.2716858386993408, 0.10193713009357452]}
{"epoch": 3, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 100, "mean_sigma": 0.014813416637480259, "spearman_rho": 0.9954887218045112, "tau": -0.4805370032787322, "elapsed_sec": 42.200827836990356, "epoch_fa_scores": [-0.19652429223060608, -0.43150243163108826, -0.465489000082016, -0.32869845628738403, -0.3653520941734314, -0.3913975656032562, -0.5418697595596313, -0.6147333979606628, -0.5869715809822083, -0.6568471193313599, -0.5463612675666809, -1.0706584453582764, -1.068152666091919, -0.7404157519340515, -0.8317452669143677, -0.7177702188491821, -0.9680785536766052, -1.5922778844833374, -1.6316752433776855, -1.4842101335525513, -1.4172102212905884, -0.3611149787902832, -0.5918676853179932, -0.7612757682800293, -0.8869171142578125]}
{"epoch": 4, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 121, "mean_sigma": 0.010549967177212238, "spearman_rho": 0.9869565217391304, "tau": -0.42236000299453735, "elapsed_sec": 41.547898054122925, "epoch_fa_scores": [-0.029461951926350594, -0.10617627948522568, -0.2950015664100647, -0.43872687220573425, -0.5226178169250488, -0.12352915108203888, -0.36142152547836304, -0.536541223526001, -0.9142480492591858, -0.7994489669799805, -0.8786824941635132, -0.9810269474983215, -0.40827590227127075, -0.42236000299453735, -0.47306349873542786, -0.48424842953681946, -0.5851854681968689, -0.6708469390869141, -0.5094305872917175, -0.7788746356964111, -0.8277071118354797]}
{"epoch": 5, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 145, "mean_sigma": 0.012052619829773903, "spearman_rho": 0.9862068965517239, "tau": -0.3900244474411011, "elapsed_sec": 42.138712644577026, "epoch_fa_scores": [-0.3582560420036316, -0.3448902666568756, -0.44078901410102844, -0.41431793570518494, -0.2702869772911072, -0.3611339032649994, -0.39140036702156067, -0.2710299789905548, -0.4315170347690582, -0.4917730689048767, -0.4688836336135864, -0.47367972135543823, -0.45553058385849, -0.45180124044418335, -0.4258723855018616, -0.4842648506164551, -0.5094663500785828, -0.39008671045303345, -0.3764369785785675, -0.3897753953933716, -0.31161394715309143, -0.40070345997810364, -0.6807845830917358, -0.5607877373695374]}
{"epoch": 6, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 170, "mean_sigma": 0.013474656268954277, "spearman_rho": 0.9881579981471198, "tau": -0.37972612977027886, "elapsed_sec": 43.17123532295227, "epoch_fa_scores": [-0.5206649899482727, -0.19435136020183563, -0.5026061534881592, -0.5268958806991577, -0.5585156679153442, -0.3289761543273926, -0.7552052736282349, -0.41364121437072754, -0.3611256778240204, -0.3757760524749756, -0.3960650563240051, -0.39139679074287415, -0.3588193953037262, -0.3805484175682068, -0.21267744898796082, -0.4162842929363251, -0.4059388339519501, -0.6147615313529968, -0.5547438263893127, -0.5233404040336609, -0.7424300312995911, -0.7816413044929504, -0.8222094774246216, -0.7787673473358154, -0.8146207928657532]}
{"epoch": 7, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 195, "mean_sigma": 0.012563644908368587, "spearman_rho": 0.9845639974145614, "tau": -0.3741016983985899, "elapsed_sec": 42.85389018058777, "epoch_fa_scores": [-0.2671796381473541, -0.30936554074287415, -0.33316951990127563, -0.4325774908065796, -0.31805044412612915, -0.39081820845603943, -0.3892143666744232, -0.39473843574523926, -0.4535553753376007, -0.46884411573410034, -0.6619176864624023, -0.693605363368988, -0.6147823929786682, -0.650277853012085, -0.7703074216842651, -0.4139515459537506, -0.5306053757667542, -0.8062419891357422, -0.5947620868682861, -0.6187956929206848, -0.7187361717224121, -0.5326828360557556, -0.27171510457992554, -0.3434138596057892, -0.3103009760379791]}
{"epoch": 8, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 220, "mean_sigma": 0.01321045309305191, "spearman_rho": 0.9928118393234671, "tau": -0.3858631968498229, "elapsed_sec": 44.189759969711304, "epoch_fa_scores": [-0.38719189167022705, -0.4711661636829376, -0.43512120842933655, -0.4545179009437561, -0.45931142568588257, -0.5265637040138245, -0.533774197101593, -0.25952470302581787, -0.32555511593818665, -0.3881523013114929, -0.41654732823371887, -0.4584687650203705, -0.5436158180236816, -0.5830449461936951, -0.4788210690021515, -0.43674638867378235, -0.4355962574481964, -0.8260290622711182, -0.8990969657897949, -0.8829814195632935, -0.945265531539917, -0.9271688461303711, -1.0088646411895752, -0.9602687358856201, -0.9211059212684631]}
{"epoch": 9, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 227, "mean_sigma": 0.015480507165193558, "spearman_rho": 0.9823093528087261, "tau": -0.3818771123886108, "elapsed_sec": 45.942532777786255, "epoch_fa_scores": [-0.2837684154510498, -0.32720378041267395, -0.6969504952430725, -0.72591632604599, -0.9051492214202881, -0.9531263709068298, -0.4805162847042084]}
{"epoch": 10, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 252, "mean_sigma": 0.013154175132513046, "spearman_rho": 0.9878031212484993, "tau": -0.38983765840530393, "elapsed_sec": 40.63351225852966, "epoch_fa_scores": [-0.5588011741638184, -0.6593140959739685, -0.6585193872451782, -0.6897084712982178, -0.7392239570617676, -0.8043134808540344, -0.8269625306129456, -0.871827244758606, -0.6762606501579285, -0.7057033181190491, -0.7058531045913696, -0.8969589471817017, -0.8077043294906616, -0.7123817801475525, -0.7937045097351074, -0.3760792315006256, -0.4200361967086792, -0.4074959456920624, -0.4603308141231537, -0.5544832944869995, -0.4803437888622284, -0.6841336488723755, -0.6542161703109741, -0.8247240781784058, -0.8684734106063843]}
{"epoch": 11, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 277, "mean_sigma": 0.00980362482368946, "spearman_rho": 0.9943541551789896, "tau": -0.3772592663764953, "elapsed_sec": 47.15762281417847, "epoch_fa_scores": [-0.12339481711387634, -0.16553714871406555, -0.34064194560050964, -0.31854167580604553, -0.2533447742462158, -0.3812217712402344, -0.3640505373477936, -0.3501853346824646, -0.45874884724617004, -0.4539167881011963, -0.43330109119415283, -0.4720990061759949, -0.45855072140693665, -0.6761612296104431, -0.9023256301879883, -0.7404603362083435, -0.8710396885871887, -0.8521496057510376, -0.9639489054679871, -1.1145002841949463, -0.91700279712677, -0.9004260897636414, -0.29503798484802246, -0.28427648544311523, -0.36135175824165344]}
{"epoch": 12, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 302, "mean_sigma": 0.02090626396238804, "spearman_rho": 0.9859961100305642, "tau": -0.3873839735984802, "elapsed_sec": 42.17674803733826, "epoch_fa_scores": [-1.0253783464431763, -1.0630202293395996, -0.9625511169433594, -0.9067997336387634, -1.1354485750198364, -0.8574764728546143, -0.8634777665138245, -0.7695885300636292, -0.7035217881202698, -0.8843629360198975, -0.8856270909309387, -1.0427312850952148, -1.017085075378418, -0.7493788599967957, -0.944990336894989, -0.8567866683006287, -0.8124605417251587, -0.8472882509231567, -1.084244966506958, -0.8365233540534973, -1.0732426643371582, -0.9099907875061035, -0.34513622522354126, -0.3650936782360077, -0.42978960275650024]}
{"epoch": 13, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 327, "mean_sigma": 0.04005282744765282, "spearman_rho": 0.9928648696491916, "tau": -0.376150780916214, "elapsed_sec": 46.469085693359375, "epoch_fa_scores": [-0.9148826003074646, -0.8064730167388916, -0.7472609877586365, -1.0499699115753174, -0.8814643025398254, -0.946927011013031, -0.9793097972869873, -0.8839641809463501, -0.2505442500114441, -0.2617546617984772, -0.3639087677001953, -0.771912693977356, -0.3840562701225281, -0.7642561197280884, -0.772066593170166, -0.9498416781425476, -0.29093441367149353, -0.2576979994773865, -0.3611332178115845, -0.3672869801521301, -0.34093624353408813, -0.3502027988433838, -1.2976735830307007, -2.5096166133880615, -1.724068284034729]}
{"epoch": 14, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 351, "mean_sigma": 0.0147697813808918, "spearman_rho": 0.9926777419480712, "tau": -0.3812217712402344, "elapsed_sec": 49.8181414604187, "epoch_fa_scores": [-0.8061537146568298, -0.8386063575744629, -0.7920510768890381, -0.8983697891235352, -0.8115009665489197, -0.8083157539367676, -1.1501559019088745, -1.6334102153778076, -1.712723731994629, -1.5634385347366333, -0.7873291969299316, -0.7561545372009277, -0.7633716464042664, -0.9029064774513245, -0.8883500695228577, -0.8445866107940674, -0.9560644030570984, -0.9122803211212158, -0.32290151715278625, -0.2974112927913666, -0.5289061665534973, -0.5515872240066528, -0.3913829028606415, -0.48692354559898376]}
{"epoch": 15, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 376, "mean_sigma": 0.0190156027674675, "spearman_rho": 0.9856822795094768, "tau": -0.3672869801521301, "elapsed_sec": 45.09391760826111, "epoch_fa_scores": [-0.2950455844402313, -0.3611173629760742, -0.35802391171455383, -0.4883158206939697, -0.4576350748538971, -0.5239389538764954, -0.1830049753189087, -0.20852155983448029, -0.2354625016450882, -0.2969800531864166, -0.24719667434692383, -0.33686840534210205, -0.3683876395225525, -0.415376752614975, -0.3177746832370758, -0.38185328245162964, -0.375374972820282, -0.2888024151325226, -0.39140862226486206, -0.41777923703193665, -0.4243737757205963, -0.45394766330718994, -0.46110832691192627, -0.4615141749382019, -0.4608529508113861]}
{"epoch": 16, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 401, "mean_sigma": 0.016704507172107697, "spearman_rho": 0.9820837293415436, "tau": -0.3672869801521301, "elapsed_sec": 47.202632427215576, "epoch_fa_scores": [-0.39658427238464355, -0.34479954838752747, -0.3404523432254791, -0.5411679744720459, -0.4648217260837555, -0.40122097730636597, -0.37659841775894165, -0.46254685521125793, -0.48392632603645325, -0.573616087436676, -0.37315821647644043, -0.32543763518333435, -0.4259873032569885, -0.3261650800704956, -0.5430170297622681, -0.4725685119628906, -0.3933819532394409, -0.7076824307441711, -0.37950706481933594, -0.3362821936607361, -0.3865305483341217, -0.37804171442985535, -0.3813987672328949, -0.493191123008728, -0.40007439255714417]}
{"epoch": 17, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 426, "mean_sigma": 0.026868393644690514, "spearman_rho": 0.9893783347274276, "tau": -0.3672869801521301, "elapsed_sec": 47.572880029678345, "epoch_fa_scores": [-0.2778724133968353, -0.2698710262775421, -0.43861716985702515, -0.3469410836696625, -0.34935128688812256, -0.29950982332229614, -0.7682124972343445, -0.8063331246376038, -0.7933207154273987, -0.9782907366752625, -0.8570369482040405, -0.953795850276947, -0.9172557592391968, -0.9278135299682617, -0.882095456123352, -0.7918023467063904, -0.8696937561035156, -0.8941289782524109, -0.8829658031463623, -0.921459436416626, -0.8062349557876587, -0.5447332262992859, -0.5884085297584534, -0.7295467257499695, -0.7338330745697021]}
{"epoch": 18, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 451, "mean_sigma": 0.02224840223789215, "spearman_rho": 0.9875864348174206, "tau": -0.375374972820282, "elapsed_sec": 47.995020151138306, "epoch_fa_scores": [-0.7518566846847534, -0.8005833625793457, -0.8462880849838257, -0.7838646769523621, -0.7914577126502991, -0.9223498702049255, -0.8536896705627441, -0.9089362621307373, -0.5015026330947876, -0.4280458092689514, -0.53879314661026, -0.5717031955718994, -0.5277804732322693, -0.5990075469017029, -0.3634372353553772, -0.5914918780326843, -0.5731025338172913, -0.5123595595359802, -0.6454094052314758, -0.8314680457115173, -0.8545995354652405, -0.6716606616973877, -0.8057923913002014, -0.6485249996185303, -0.6968938112258911]}
{"epoch": 19, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 473, "mean_sigma": 0.025544214993715286, "spearman_rho": 0.9846725166880919, "tau": -0.3700657486915587, "elapsed_sec": 50.20736861228943, "epoch_fa_scores": [-0.0695197731256485, -0.0442417748272419, -0.37258291244506836, -0.06252693384885788, -0.479751318693161, -1.6900296211242676, -1.5216776132583618, -1.6299270391464233, -1.6256026029586792, -1.725750207901001, -0.2860462963581085, -0.3481738865375519, -0.5039119720458984, -0.4584796726703644, -0.2975170910358429, -0.38318318128585815, -0.39407622814178467, -0.44923901557922363, -0.6085473299026489, -0.5547477006912231, -0.4800598919391632, -0.6256862282752991]}
{"epoch": 20, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 498, "mean_sigma": 0.02189754694700241, "spearman_rho": 0.988419734498693, "tau": -0.3700657486915587, "elapsed_sec": 46.36982607841492, "epoch_fa_scores": [-0.5346711277961731, -0.6221727132797241, -0.8078387379646301, -0.773601233959198, -0.6331087946891785, -0.6517196297645569, -0.7648218274116516, -0.7162547707557678, -0.2817320227622986, -0.2913215160369873, -0.30295661091804504, -0.3593426048755646, -0.37378552556037903, -0.4632364809513092, -0.3940572738647461, -0.4584456980228424, -0.290988564491272, -0.5061149597167969, -0.46769407391548157, -0.41758522391319275, -0.4088094234466553, -0.4385397136211395, -0.48392418026924133, -0.4482106566429138, -0.7389028072357178]}
{"epoch": 21, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 523, "mean_sigma": 0.034784264862537384, "spearman_rho": 0.9747805471655863, "tau": -0.3677976250648498, "elapsed_sec": 50.50753712654114, "epoch_fa_scores": [-0.6543992161750793, -0.6289023756980896, -0.9640724062919617, -0.9237043261528015, -0.9421116709709167, -0.9780864715576172, -0.918134331703186, -1.0626423358917236, -0.25052544474601746, -0.19922998547554016, -0.2801278531551361, -0.34187546372413635, -0.4507492482662201, -0.39406663179397583, -0.4614174962043762, -0.45847398042678833, -0.29364117980003357, -0.3881649076938629, -0.3709110617637634, -0.4082896113395691, -0.4805264174938202, -0.404635488986969, -0.3388460874557495, -0.47765272855758667, -0.6071126461029053]}
{"epoch": 22, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 546, "mean_sigma": 0.040775470435619354, "spearman_rho": 0.9904154688270295, "tau": -0.3709110617637634, "elapsed_sec": 48.78185558319092, "epoch_fa_scores": [-0.28295570611953735, -0.4251043200492859, -0.3133246600627899, -0.39406418800354004, -0.3873424232006073, -0.45651930570602417, -0.45541372895240784, -0.8858903646469116, -0.9134442806243896, -0.8824220299720764, -0.7569569945335388, -1.1443463563919067, -0.862171471118927, -1.115544319152832, -0.3488265573978424, -0.4020843207836151, -0.37447574734687805, -0.47348180413246155, -0.46083441376686096, -0.45776283740997314, -0.5210294127464294, -0.41360750794410706, -0.45738697052001953]}
{"epoch": 23, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 571, "mean_sigma": 0.024971676990389824, "spearman_rho": 0.9854658640164071, "tau": -0.37258291244506836, "elapsed_sec": 48.12307643890381, "epoch_fa_scores": [-0.33132651448249817, -0.4583732783794403, -0.3613908290863037, -0.4809210002422333, -0.5301244854927063, -0.8184724450111389, -0.9371635913848877, -0.9290493726730347, -0.8848569989204407, -0.8383248448371887, -0.8449113965034485, -0.9560127258300781, -0.9872880578041077, -0.7600353360176086, -0.8301035165786743, -0.2927393615245819, -0.5981484651565552, -0.3942544162273407, -0.36432501673698425, -0.7652527093887329, -0.6574150919914246, -0.4277941882610321, -0.4924103021621704, -0.39140525460243225, -0.3982597589492798]}
{"epoch": 24, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 596, "mean_sigma": 0.03678333759307861, "spearman_rho": 0.990528279950635, "tau": -0.3674042820930481, "elapsed_sec": 48.7476441860199, "epoch_fa_scores": [-0.25703445076942444, -0.3940124809741974, -0.6857055425643921, -0.7359960079193115, -0.6467725038528442, -0.652696430683136, -0.8961393237113953, -0.05053701624274254, -0.22441424429416656, -0.1406598836183548, -0.22213555872440338, -0.27979934215545654, -0.23108771443367004, -0.44888609647750854, -0.28859227895736694, -0.8724644780158997, -0.8596280217170715, -0.9517788290977478, -0.9960677027702332, -0.8567330241203308, -0.9388502240180969, -0.8563696146011353, -0.9211899638175964, -0.6044188141822815, -0.7867510914802551]}
{"epoch": 25, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 620, "mean_sigma": 0.027510210871696472, "spearman_rho": 0.9875797997582886, "tau": -0.3653004109859466, "elapsed_sec": 50.7120246887207, "epoch_fa_scores": [-0.25764840841293335, -0.3724574148654938, -0.3022523522377014, -0.3539206087589264, -0.4262484312057495, -0.45287835597991943, -0.4137328565120697, -0.3996792435646057, -0.12350811809301376, -0.06009216234087944, -0.3561737537384033, -0.4577662944793701, -0.2059164047241211, -0.3657708168029785, -0.41065722703933716, -0.5240920782089233, -0.5119634866714478, -0.48300349712371826, -0.5744915008544922, -0.5174160003662109, -0.6270719170570374, -0.5372213125228882, -0.798846423625946, -0.7471631765365601]}
{"epoch": 26, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 645, "mean_sigma": 0.04507794976234436, "spearman_rho": 0.9906205846796754, "tau": -0.3653004109859466, "elapsed_sec": 52.009758949279785, "epoch_fa_scores": [-0.9700239300727844, -1.0739043951034546, -1.1134557723999023, -1.087857723236084, -1.016435146331787, -1.1048557758331299, -1.1800371408462524, -0.2763059139251709, -0.11548978090286255, -0.31637951731681824, -0.42935889959335327, -0.36461731791496277, -0.40859460830688477, -0.34093716740608215, -0.4584646224975586, -0.7005816102027893, -0.5714002251625061, -0.4613235890865326, -0.5334609746932983, -0.5758629441261292, -1.6684590578079224, -1.6836954355239868, -1.6266762018203735, -1.7097902297973633, -1.6619288921356201]}
{"epoch": 27, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 669, "mean_sigma": 0.02173539251089096, "spearman_rho": 0.985779597281439, "tau": -0.36490313410758973, "elapsed_sec": 50.15217447280884, "epoch_fa_scores": [-0.2769899368286133, -0.282162070274353, -0.30016428232192993, -0.34093859791755676, -0.33141645789146423, -0.3600621819496155, -0.3775886297225952, -0.5490474700927734, -0.47350093722343445, -0.5780627131462097, -0.6141084432601929, -0.3717379570007324, -0.4584682583808899, -0.4561770558357239, -0.4923771023750305, -0.5317020416259766, -0.8747483491897583, -0.8170583248138428, -1.0227879285812378, -0.7849569320678711, -0.8470918536186218, -0.8784340620040894, -0.9880849719047546, -1.0741097927093506]}
{"epoch": 28, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 694, "mean_sigma": 0.020399894565343857, "spearman_rho": 0.9890485744239207, "tau": -0.3652487277984619, "elapsed_sec": 52.49158239364624, "epoch_fa_scores": [-0.20284295082092285, -0.2511086165904999, -0.3885361850261688, -0.37181711196899414, -0.3329032063484192, -0.345456063747406, -0.39526307582855225, -0.5684732794761658, -0.5421573519706726, -0.5880575776100159, -0.7641337513923645, -0.7933152318000793, -0.9377601146697998, -0.9783052802085876, -0.8160569071769714, -0.6194074153900146, -0.5439507961273193, -0.4772450625896454, -0.5176692605018616, -0.4061637222766876, -0.584230363368988, -0.4072539210319519, -0.4175039529800415, -0.4697858989238739, -0.6279672980308533]}
{"epoch": 29, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 719, "mean_sigma": 0.018760059028863907, "spearman_rho": 0.9854185949285907, "tau": -0.3652487277984619, "elapsed_sec": 50.78090453147888, "epoch_fa_scores": [-0.3428872227668762, -0.37166422605514526, -0.47443413734436035, -0.336826890707016, -0.34491464495658875, -0.39406126737594604, -0.4168933928012848, -0.49276167154312134, -0.4629410207271576, -0.31113335490226746, -0.39123210310935974, -0.5005866289138794, -0.4649370014667511, -0.454534113407135, -0.6006171703338623, -0.3972359001636505, -0.3982587456703186, -0.3939996063709259, -0.45847490429878235, -0.3095642924308777, -0.38793864846229553, -0.4931604564189911, -0.4565049707889557, -0.46115314960479736, -0.49481400847435]}
{"epoch": 30, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 742, "mean_sigma": 0.014098143205046654, "spearman_rho": 0.9831287747820925, "tau": -0.3647125899791717, "elapsed_sec": 47.76307129859924, "epoch_fa_scores": [-0.9090761542320251, -0.4608480930328369, -0.4531313478946686, -0.48802295327186584, -0.7650886178016663, -0.6476601362228394, -0.34643322229385376, -0.34957757592201233, -0.46804043650627136, -0.4580952823162079, -0.4749271869659424, -0.3568560481071472, -0.49350473284721375, -0.7188159823417664, -0.7581974864006042, -0.8224906325340271, -0.7708448171615601, -0.8336866497993469, -0.6748462915420532, -0.30691850185394287, -0.2726966142654419, -0.24267354607582092, -0.44095578789711]}
{"epoch": 31, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 767, "mean_sigma": 0.026479652151465416, "spearman_rho": 0.9914063973045407, "tau": -0.36543583869934076, "elapsed_sec": 50.3109712600708, "epoch_fa_scores": [-0.32435089349746704, -0.4299371540546417, -0.3982616662979126, -0.3585246205329895, -0.45855408906936646, -0.45756933093070984, -0.4614439606666565, -0.5842393636703491, -1.1048266887664795, -1.160835862159729, -1.5287859439849854, -1.573006510734558, -1.529111385345459, -1.343955159187317, -0.1443922519683838, -0.46133601665496826, -0.5285283327102661, -0.4988178610801697, -0.5143962502479553, -0.5237127542495728, -0.5361146330833435, -0.5751408338546753, -0.7987309098243713, -0.8970916867256165, -0.8562402129173279]}
{"epoch": 32, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 791, "mean_sigma": 0.051164355129003525, "spearman_rho": 0.9810116954638657, "tau": -0.3672869801521301, "elapsed_sec": 54.465938568115234, "epoch_fa_scores": [-0.35182759165763855, -0.43551889061927795, -0.5163683891296387, -0.7094773054122925, -0.500090479850769, -0.8982621431350708, -0.8638269305229187, -0.76711505651474, -1.558809518814087, -1.7546683549880981, -1.7239195108413696, -0.25094473361968994, -0.32440856099128723, -0.5244069695472717, -0.4314979612827301, -0.44363516569137573, -0.4584585726261139, -0.4545295238494873, -0.555362343788147, -1.344043254852295, -1.6697092056274414, -1.622288703918457, -1.565258264541626, -1.6741695404052734]}
{"epoch": 33, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 812, "mean_sigma": 0.024659419432282448, "spearman_rho": 0.9857637837795483, "tau": -0.3641054332256317, "elapsed_sec": 52.78156852722168, "epoch_fa_scores": [-0.34051188826560974, -0.2724546790122986, -0.2830168902873993, -0.3502040207386017, -0.3611204922199249, -0.47164878249168396, -0.4578947126865387, -0.10304958373308182, -0.1739474982023239, -0.1508549451828003, -0.28534770011901855, -0.24072560667991638, -0.45167049765586853, -0.39405617117881775, -0.5593535900115967, -0.3846006691455841, -0.4099014401435852, -0.37510284781455994, -0.4449932277202606, -0.40860384702682495, -0.4553649425506592]}
{"epoch": 34, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 837, "mean_sigma": 0.035202231258153915, "spearman_rho": 0.9866786227373426, "tau": -0.3651453614234924, "elapsed_sec": 55.57967662811279, "epoch_fa_scores": [-0.24101722240447998, -0.39123809337615967, -0.38037222623825073, -0.3956157863140106, -0.6232393980026245, -0.6112170815467834, -0.5307305455207825, -0.5744113922119141, -0.8787712454795837, -0.924515962600708, -0.7272902727127075, -0.963532030582428, -0.7718527913093567, -0.7025759816169739, -0.9217514395713806, -0.7560471892356873, -0.28870174288749695, -0.3852645456790924, -0.4584658145904541, -0.45651373267173767, -0.5268892645835876, -0.5329733490943909, -0.5609897971153259, -0.8138814568519592, -0.6414083242416382]}
{"epoch": 35, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 860, "mean_sigma": 0.05099233239889145, "spearman_rho": 0.982516154922945, "tau": -0.3653004109859466, "elapsed_sec": 55.837326526641846, "epoch_fa_scores": [-0.2765701115131378, -0.37759727239608765, -0.3535446524620056, -0.3800845444202423, -0.5049482583999634, -0.5362846851348877, -0.39742693305015564, -0.5379719138145447, -0.5158172845840454, -0.5963382720947266, -0.719584584236145, -0.7638004422187805, -0.4249139726161957, -0.44437599182128906, -0.4281783998012543, -0.3493104875087738, -0.3590318262577057, -0.4728189706802368, -0.41470566391944885, -1.2630656957626343, -1.4147850275039673, -1.410666584968567, -1.6904096603393555]}
{"epoch": 36, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 885, "mean_sigma": 0.01826808601617813, "spearman_rho": 0.9895034354413388, "tau": -0.3673808217048645, "elapsed_sec": 53.32392621040344, "epoch_fa_scores": [-0.39559319615364075, -0.3611317276954651, -0.39400187134742737, -0.3913951516151428, -0.4614965319633484, -0.37578219175338745, -0.3682827651500702, -0.8497799634933472, -1.182611107826233, -1.036548376083374, -1.0619310140609741, -1.037479281425476, -0.9586107134819031, -1.0355746746063232, -0.6918503642082214, -0.6155211925506592, -0.7564703226089478, -0.7865586280822754, -0.7171800136566162, -0.7152847051620483, -0.7948926091194153, -0.7109000086784363, -0.2710935175418854, -0.3945043683052063, -0.4003756046295166]}
{"epoch": 37, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 904, "mean_sigma": 0.01910894177854061, "spearman_rho": 0.9851601002747012, "tau": -0.3683456897735596, "elapsed_sec": 52.054054498672485, "epoch_fa_scores": [-0.3544483780860901, -0.3913915455341339, -0.3914000988006592, -0.397168904542923, -0.44499480724334717, -0.4584721326828003, -0.4632434546947479, -0.6651915311813354, -0.7058395147323608, -0.7368611693382263, -0.7290775775909424, -0.8345507383346558, -0.7352340221405029, -0.312496542930603, -0.4526079297065735, -0.3713749051094055, -0.40807703137397766, -0.4433952569961548, -0.45457303524017334]}
{"epoch": 38, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 929, "mean_sigma": 0.02809865027666092, "spearman_rho": 0.9900863714063107, "tau": -0.37178544998168944, "elapsed_sec": 57.830188274383545, "epoch_fa_scores": [-0.3744795620441437, -0.389484167098999, -0.4000846743583679, -0.4584735333919525, -0.48880574107170105, -0.46124282479286194, -0.6532722115516663, -0.7807812690734863, -0.7579949498176575, -0.745105504989624, -0.7774856090545654, -0.7785167694091797, -0.8728656768798828, -0.8012612462043762, -0.3806931972503662, -0.6122536063194275, -0.5052499771118164, -0.5833339095115662, -0.6417772769927979, -0.7338338494300842, -0.7802860140800476, -0.7895790934562683, -0.6780745983123779, -0.7476533651351929, -0.8043053150177002]}
{"epoch": 39, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 954, "mean_sigma": 0.017859920859336853, "spearman_rho": 0.9882180144183975, "tau": -0.3703492164611815, "elapsed_sec": 54.65991568565369, "epoch_fa_scores": [-0.2579445540904999, -0.2563190162181854, -0.28816014528274536, -0.3933313190937042, -0.4435279667377472, -0.703804612159729, -0.6991783380508423, -0.6912678480148315, -0.36950644850730896, -0.29466843605041504, -0.43097585439682007, -0.5020846128463745, -0.35445505380630493, -0.40320053696632385, -0.5210026502609253, -0.3147185146808624, -0.3860320448875427, -0.31427475810050964, -0.36111220717430115, -0.3988759517669678, -0.4780605733394623, -0.46173542737960815, -0.3974241316318512, -0.5515102744102478, -0.6472367644309998]}
{"epoch": 40, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 979, "mean_sigma": 0.013651683926582336, "spearman_rho": 0.9809655136163214, "tau": -0.37178544998168944, "elapsed_sec": 55.20599293708801, "epoch_fa_scores": [-0.4559124708175659, -0.3783803880214691, -0.39241349697113037, -0.4532635509967804, -0.4584563076496124, -0.40561023354530334, -0.40817970037460327, -0.5273628234863281, -0.5604680180549622, -0.5972607135772705, -0.6692065596580505, -0.7852356433868408, -0.7176133394241333, -0.8156909346580505, -0.7689339518547058, -0.7159574627876282, -0.838355541229248, -0.8488942384719849, -0.7403442859649658, -0.2574380040168762, -0.44499632716178894, -0.5956813097000122, -0.6476609706878662, -0.7133617401123047, -0.6394943594932556]}
{"epoch": 41, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1004, "mean_sigma": 0.015083195641636848, "spearman_rho": 0.9881630798438089, "tau": -0.36905892491340625, "elapsed_sec": 54.45673942565918, "epoch_fa_scores": [-0.32983511686325073, -0.17948253452777863, -0.3291746973991394, -0.3879246115684509, -0.41654425859451294, -0.3602561056613922, -0.460846483707428, -0.2950485944747925, -0.4523736834526062, -0.3404599726200104, -0.4109923541545868, -0.34503495693206787, -0.40553605556488037, -0.3455100953578949, -0.507392168045044, -0.48907071352005005, -0.4264676570892334, -0.5267220139503479, -0.49977895617485046, -0.49647772312164307, -0.49163809418678284, -0.5749585032463074, -0.20298729836940765, -0.3548581004142761, -0.39559245109558105]}
{"epoch": 42, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1028, "mean_sigma": 0.02476039156317711, "spearman_rho": 0.9679204885937771, "tau": -0.3716937184333801, "elapsed_sec": 63.845864057540894, "epoch_fa_scores": [-0.3611188530921936, -0.4000841975212097, -0.39663028717041016, -0.6766127347946167, -0.7755254507064819, -1.1006287336349487, -0.9511176943778992, -1.2080152034759521, -1.0806446075439453, -1.072013020515442, -1.010043740272522, -1.6062110662460327, -1.689749836921692, -1.556888461112976, -1.6697163581848145, -1.6810050010681152, -1.6343778371810913, -1.6752007007598877, -0.8936249613761902, -0.773991048336029, -0.8902379870414734, -0.9178398847579956, -0.9004927277565002, -0.9157417416572571]}
{"epoch": 43, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1035, "mean_sigma": 0.030496852472424507, "spearman_rho": 0.9787109686191003, "tau": -0.3712821364402771, "elapsed_sec": 63.75446367263794, "epoch_fa_scores": [-0.27441003918647766, -0.33419686555862427, -0.43636947870254517, -0.34440574049949646, -0.595129668712616, -0.5784273743629456, -0.414784699678421]}
{"epoch": 44, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1060, "mean_sigma": 0.0337655209004879, "spearman_rho": 0.9852537543571069, "tau": -0.3725578129291534, "elapsed_sec": 61.542309522628784, "epoch_fa_scores": [-0.8706875443458557, -0.8545989990234375, -0.8196094036102295, -0.9334917068481445, -0.8109197616577148, -0.8766592741012573, -0.9492726922035217, -0.903618574142456, -1.328318476676941, -1.9135092496871948, -1.7033039331436157, -1.6302611827850342, -0.6614310145378113, -0.7256830930709839, -0.8223869800567627, -0.9361815452575684, -0.9144724607467651, -0.4757821559906006, -0.6938561201095581, -0.6500180959701538, -0.7401947975158691, -0.8035688400268555, -0.679067850112915, -0.796958327293396, -0.7642367482185364]}
{"epoch": 45, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1084, "mean_sigma": 0.017776189371943474, "spearman_rho": 0.9879423025481506, "tau": -0.37353460192680354, "elapsed_sec": 58.956703901290894, "epoch_fa_scores": [-0.37951451539993286, -0.4575137495994568, -0.48683807253837585, -0.38368621468544006, -0.4474749267101288, -0.45847398042678833, -0.47349607944488525, -0.4614221751689911, -0.6024878025054932, -0.27104848623275757, -0.3919815719127655, -0.6177831292152405, -0.5721268057823181, -0.8180372714996338, -0.7352434396743774, -0.7697288990020752, -0.7302367091178894, -0.3632746934890747, -0.33141568303108215, -0.4805409014225006, -0.41524434089660645, -0.5057623982429504, -0.45984959602355957, -0.47640302777290344]}
{"epoch": 46, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1109, "mean_sigma": 0.01665433868765831, "spearman_rho": 0.9858070477241156, "tau": -0.3756156206130981, "elapsed_sec": 58.84078240394592, "epoch_fa_scores": [-0.5882872343063354, -0.8952351212501526, -0.9065470695495605, -0.9973852038383484, -0.8698581457138062, -0.7537418007850647, -0.755097508430481, -0.8283356428146362, -0.40036246180534363, -0.5518639087677002, -0.5204980969429016, -0.5112795233726501, -0.47958266735076904, -0.6122779250144958, -0.6970575451850891, -0.6590457558631897, -0.40651682019233704, -0.46133697032928467, -0.45198795199394226, -0.42095065116882324, -0.4800839126110077, -0.6007318496704102, -0.700494647026062, -0.6888300776481628, -0.3879965543746948]}
{"epoch": 47, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1134, "mean_sigma": 0.03606626018881798, "spearman_rho": 0.9861731487028287, "tau": -0.37653384208679197, "elapsed_sec": 59.529242277145386, "epoch_fa_scores": [-0.7732551097869873, -0.8493586182594299, -0.754124641418457, -0.9193078279495239, -0.8465040922164917, -0.860842764377594, -0.7315322756767273, -0.8052368760108948, -0.8363838791847229, -0.8394712805747986, -0.9431976675987244, -0.8513056635856628, -1.042763590812683, -0.8145965337753296, -0.9640278220176697, -0.36113062500953674, -0.38880735635757446, -0.4336785674095154, -0.4335874319076538, -0.4558667242527008, -0.4742084741592407, -0.5118454694747925, -0.6445435881614685, -1.0594638586044312, -1.1289982795715332]}
{"epoch": 48, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1159, "mean_sigma": 0.029917506501078606, "spearman_rho": 0.9865559150347529, "tau": -0.37653384208679197, "elapsed_sec": 59.29268527030945, "epoch_fa_scores": [-0.34440314769744873, -0.28079551458358765, -0.34552884101867676, -0.39407920837402344, -0.4085404872894287, -0.465087354183197, -0.48003631830215454, -0.49368584156036377, -0.5889559984207153, -0.4622345566749573, -0.531831681728363, -0.6044735312461853, -0.5297324657440186, -0.25770625472068787, -0.3914063572883606, -0.43330687284469604, -0.45116856694221497, -0.5226112008094788, -0.4760136902332306, -0.5264391303062439, -0.3677447736263275, -0.6124223470687866, -0.5675529837608337, -0.8761005997657776, -0.9519628882408142]}
{"epoch": 49, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1184, "mean_sigma": 0.027493778616189957, "spearman_rho": 0.979649802220744, "tau": -0.37653384208679197, "elapsed_sec": 61.26907753944397, "epoch_fa_scores": [-0.4562023878097534, -0.45845547318458557, -0.42423248291015625, -0.4781067669391632, -0.6942982077598572, -0.9084039330482483, -0.5783477425575256, -0.6795491576194763, -0.33185815811157227, -0.27383092045783997, -0.674090564250946, -0.5786693096160889, -0.7514317035675049, -0.7677853107452393, -0.643861711025238, -0.5589646100997925, -0.37158632278442383, -0.34948861598968506, -0.39560362696647644, -0.3871150016784668, -0.4134213626384735, -0.3611782491207123, -0.48946845531463623, -0.42801252007484436, -0.7960336804389954]}
{"epoch": 50, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1209, "mean_sigma": 0.02008211240172386, "spearman_rho": 0.9892006845189285, "tau": -0.3771925449371337, "elapsed_sec": 59.418339014053345, "epoch_fa_scores": [-0.3411601185798645, -0.3586668372154236, -0.4893023669719696, -0.48589929938316345, -0.4614480435848236, -0.5301228761672974, -0.5004643797874451, -0.533064067363739, -1.1672877073287964, -1.105553388595581, -1.4599242210388184, -1.4753285646438599, -1.2251173257827759, -1.3532679080963135, -1.556566834449768, -0.30016884207725525, -0.3418630063533783, -0.40400615334510803, -0.38022521138191223, -0.4714570939540863, -0.5749216675758362, -0.5902289152145386, -0.67359858751297, -0.9423518180847168, -0.7810508012771606]}
{"epoch": 51, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1232, "mean_sigma": 0.02595948427915573, "spearman_rho": 0.9919801410408352, "tau": -0.3786057233810424, "elapsed_sec": 59.82100462913513, "epoch_fa_scores": [-0.3481653928756714, -0.4205743968486786, -0.49231261014938354, -0.38055619597435, -0.41654059290885925, -0.4605931341648102, -0.4539676010608673, -0.529560387134552, -0.5276837944984436, -0.5687751770019531, -0.5079574584960938, -0.6868208646774292, -0.5661538243293762, -0.4503292441368103, -0.8000733256340027, -0.567627489566803, -0.5734671950340271, -0.9408758878707886, -0.8907124996185303, -1.1879689693450928, -0.9206157922744751, -0.7726980447769165, -0.9484005570411682]}
{"epoch": 52, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1257, "mean_sigma": 0.017914697527885437, "spearman_rho": 0.9891528592949935, "tau": -0.3776861608028412, "elapsed_sec": 57.32463526725769, "epoch_fa_scores": [-0.41608861088752747, -0.500862717628479, -0.5337355732917786, -0.44530588388442993, -0.5215817093849182, -0.5849394798278809, -0.5379008650779724, -0.5247011780738831, -0.6571624279022217, -0.5677368640899658, -0.46507522463798523, -0.6630644202232361, -0.6719422340393066, -0.2974458634853363, -0.3670805096626282, -0.2900562286376953, -0.45421454310417175, -0.2936646640300751, -0.4628297686576843, -0.38619324564933777, -0.574163019657135, -0.2524680197238922, -0.4127763509750366, -0.24411050975322723, -0.36582502722740173]}
{"epoch": 53, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1282, "mean_sigma": 0.03297194093465805, "spearman_rho": 0.9609313769412631, "tau": -0.37768616080284123, "elapsed_sec": 62.283589124679565, "epoch_fa_scores": [-0.22476248443126678, -0.3417085111141205, -0.3326815664768219, -0.3517738878726959, -0.5052043199539185, -0.31794872879981995, -0.8431060314178467, -0.7969550490379333, -0.7858224511146545, -0.7443824410438538, -0.816148579120636, -0.8625478744506836, -1.0689641237258911, -0.992675244808197, -0.5176371932029724, -0.52669757604599, -0.6672837138175964, -0.5909010767936707, -0.6031819581985474, -0.6881195902824402, -0.7400215268135071, -0.988884449005127, -0.981308102607727, -0.8116704821586609, -0.8947845697402954]}
{"epoch": 54, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1303, "mean_sigma": 0.02409924566745758, "spearman_rho": 0.9837731917311356, "tau": -0.37577850818634034, "elapsed_sec": 63.83475208282471, "epoch_fa_scores": [-0.3697781264781952, -0.4569786489009857, -0.3767388164997101, -0.4615119695663452, -0.39621853828430176, -0.45858877897262573, -0.12352675199508667, -0.300505131483078, -0.20514114201068878, -0.46918708086013794, -0.3772048056125641, -0.39406007528305054, -0.4071688652038574, -0.4608605206012726, -0.14517414569854736, -0.26189687848091125, -0.3454649746417999, -0.34936460852622986, -0.3502294421195984, -0.36970993876457214, -0.4608178436756134]}
{"epoch": 55, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1328, "mean_sigma": 0.027709349989891052, "spearman_rho": 0.9868270490593377, "tau": -0.3744772732257843, "elapsed_sec": 63.98708176612854, "epoch_fa_scores": [-0.26238444447517395, -0.09600993245840073, -0.32323968410491943, -0.3501180410385132, -0.3235930800437927, -0.39462026953697205, -0.5123132467269897, -0.5286605358123779, -0.5577389597892761, -0.6077560782432556, -0.6433961987495422, -0.6750904321670532, -0.5835912823677063, -0.664111316204071, -0.6711430549621582, -0.32556265592575073, -0.3303341269493103, -0.3920094966888428, -0.37508365511894226, -0.3919326663017273, -0.42761102318763733, -0.2354612946510315, -0.3504367768764496, -0.4587634801864624, -0.44436150789260864]}
{"epoch": 56, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1335, "mean_sigma": 0.02352611906826496, "spearman_rho": 0.985825633613127, "tau": -0.37447879910469056, "elapsed_sec": 65.8932945728302, "epoch_fa_scores": [-0.5133308172225952, -0.6896666288375854, -0.3285812735557556, -0.5507799386978149, -0.4577252268791199, -0.5254667401313782, -0.6573513746261597]}
{"epoch": 57, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1360, "mean_sigma": 0.017849642783403397, "spearman_rho": 0.9868724993311534, "tau": -0.37532054781913754, "elapsed_sec": 61.65942096710205, "epoch_fa_scores": [-0.6124477386474609, -0.7262815833091736, -1.0119496583938599, -0.7626148462295532, -0.7999454140663147, -0.8222165703773499, -0.8182835578918457, -0.8781898617744446, -0.8079949021339417, -0.7862690091133118, -0.6690433025360107, -0.6506316661834717, -0.6345171332359314, -0.6697274446487427, -0.7113250494003296, -0.8953099846839905, -0.9103254079818726, -0.7431827783584595, -0.6539439558982849, -0.9790722727775574, -0.6785793900489807, -1.001744270324707, -0.3268878161907196, -0.43818992376327515, -0.34817028045654297]}
{"epoch": 58, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1385, "mean_sigma": 0.013425251469016075, "spearman_rho": 0.989634234020047, "tau": -0.37496283650398254, "elapsed_sec": 62.96578025817871, "epoch_fa_scores": [-0.33513328433036804, -0.3979169428348541, -0.38863128423690796, -0.46993523836135864, -0.45847657322883606, -0.5265471339225769, -0.4729361832141876, -0.6644781827926636, -0.37950819730758667, -0.3161817491054535, -0.3318741023540497, -0.30592861771583557, -0.34817108511924744, -0.39826375246047974, -0.35322585701942444, -0.3843874931335449, -0.8004832863807678, -0.7959498167037964, -0.8025949001312256, -0.8134136199951172, -0.8202749490737915, -0.8687446713447571, -0.9553183913230896, -0.8829044103622437, -0.27037832140922546]}
{"epoch": 59, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1410, "mean_sigma": 0.02364530973136425, "spearman_rho": 0.9865313438596364, "tau": -0.3757809638977051, "elapsed_sec": 67.14193725585938, "epoch_fa_scores": [-0.4080077111721039, -0.5983333587646484, -0.5860609412193298, -0.5944778919219971, -0.586946427822113, -0.5894548892974854, -0.7924914360046387, -0.5094292759895325, -0.5327491164207458, -0.5580689311027527, -0.6534976959228516, -0.7408953905105591, -0.6951656937599182, -0.5613749027252197, -0.627729594707489, -0.2515175938606262, -0.3810625672340393, -0.4315216839313507, -0.5001285076141357, -0.5523343086242676, -0.5221092700958252, -0.5152202844619751, -0.8152075409889221, -0.7246684432029724, -0.7906310558319092]}
{"epoch": 60, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1434, "mean_sigma": 0.02218211442232132, "spearman_rho": 0.9872498399460907, "tau": -0.3757797360420227, "elapsed_sec": 65.57763147354126, "epoch_fa_scores": [-0.27405956387519836, -0.3974189758300781, -0.35486745834350586, -0.37892431020736694, -0.3455149531364441, -0.39141225814819336, -0.38857364654541016, -0.395626038312912, -0.3882044553756714, -0.4555366337299347, -0.5225992798805237, -0.528137743473053, -0.4056071639060974, -0.362387478351593, -0.4678216874599457, -0.46084311604499817, -0.4674948453903198, -0.5623874664306641, -0.2807850241661072, -0.49296948313713074, -0.4588949680328369, -0.7540329098701477, -0.7529157400131226, -0.7251293659210205]}
{"epoch": 61, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1459, "mean_sigma": 0.029779117554426193, "spearman_rho": 0.9865059940788528, "tau": -0.3770184099674224, "elapsed_sec": 64.55426120758057, "epoch_fa_scores": [-0.8143386840820312, -0.9149734973907471, -0.8220703601837158, -0.9386513233184814, -0.9050655364990234, -0.8227977752685547, -0.5876336097717285, -0.7388867735862732, -0.6517710089683533, -0.6597895622253418, -0.911888837814331, -0.6468689441680908, -0.9017667174339294, -0.9669429063796997, -0.8960974216461182, -0.9172318577766418, -0.8893710970878601, -0.9231631755828857, -0.9650105834007263, -1.0646264553070068, -0.6200409531593323, -0.7556545734405518, -0.728355348110199, -0.6729228496551514, -0.8819794058799744]}
{"epoch": 62, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1481, "mean_sigma": 0.013406584039330482, "spearman_rho": 0.9837264628614059, "tau": -0.3772048056125641, "elapsed_sec": 65.50645351409912, "epoch_fa_scores": [-0.2842671275138855, -0.4569786787033081, -0.4568358063697815, -0.3913939893245697, -0.392702579498291, -0.33660417795181274, -0.3912099301815033, -0.7692294120788574, -0.8592399954795837, -1.0191357135772705, -0.9244363307952881, -0.7750527858734131, -1.248026728630066, -1.092237114906311, -1.0103504657745361, -0.9857693314552307, -1.5621085166931152, -1.7121076583862305, -1.7392498254776, -0.2664714753627777, -0.2821231186389923, -0.3784160912036896]}
{"epoch": 63, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1506, "mean_sigma": 0.029886756092309952, "spearman_rho": 0.9845751953724646, "tau": -0.37804171442985535, "elapsed_sec": 64.90368008613586, "epoch_fa_scores": [-0.6239751577377319, -0.4901316463947296, -0.7407199740409851, -0.572002112865448, -0.6368367671966553, -0.774407684803009, -0.7370894551277161, -0.39365553855895996, -0.4220169484615326, -0.3488645851612091, -0.4344370663166046, -0.515290379524231, -0.5050709247589111, -0.4597507417201996, -0.7538405656814575, -0.5160496830940247, -0.5267609357833862, -0.608424961566925, -0.6733035445213318, -0.6614906191825867, -0.6839362382888794, -0.6404197812080383, -0.8050894737243652, -0.37093013525009155, -0.6582334041595459]}
{"epoch": 64, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1531, "mean_sigma": 0.021959710866212845, "spearman_rho": 0.9827699686137475, "tau": -0.37950819730758667, "elapsed_sec": 62.439377307891846, "epoch_fa_scores": [-0.8467040061950684, -0.960574209690094, -0.9579641222953796, -0.9271821975708008, -0.8867048621177673, -0.9296343922615051, -0.8907023072242737, -0.3997940719127655, -0.7409429550170898, -0.5044140219688416, -0.65840083360672, -0.7170947790145874, -0.7420150637626648, -0.5953149199485779, -0.8014695048332214, -0.7508494257926941, -0.630095362663269, -0.7810438871383667, -0.6833382844924927, -0.951785683631897, -0.7730700969696045, -0.9540811777114868, -0.686741828918457, -0.7570586800575256, -0.7465265393257141]}
{"epoch": 65, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1556, "mean_sigma": 0.018571529537439346, "spearman_rho": 0.9835891740630116, "tau": -0.37759727239608765, "elapsed_sec": 68.06368517875671, "epoch_fa_scores": [-0.9753206372261047, -0.8278459906578064, -0.9334999322891235, -0.8627078533172607, -0.8240917325019836, -0.9363654255867004, -0.9086698889732361, -0.3015127182006836, -0.36817431449890137, -0.3918593227863312, -0.37966498732566833, -0.4531310796737671, -0.14912089705467224, -0.27838948369026184, -0.3260096311569214, -0.34273430705070496, -0.3404555022716522, -0.4074804484844208, -0.3712189495563507, -0.4698137640953064, -0.23388788104057312, -0.3136109411716461, -0.37757307291030884, -0.43573635816574097, -0.4677307903766632]}
{"epoch": 66, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1581, "mean_sigma": 0.030322976410388947, "spearman_rho": 0.9835446302930553, "tau": -0.3775886297225952, "elapsed_sec": 69.68279004096985, "epoch_fa_scores": [-0.5545760989189148, -0.4649514853954315, -0.5341046452522278, -0.5825031399726868, -0.6823315620422363, -0.8918936848640442, -0.8994033932685852, -0.8796902298927307, -0.3199217617511749, -0.3402249813079834, -0.3144417107105255, -0.3913932740688324, -0.4522653818130493, -0.3833686113357544, -0.4070053994655609, -0.3561558127403259, -0.5177806615829468, -0.47524508833885193, -0.46697747707366943, -0.444821298122406, -0.4794084429740906, -0.590714156627655, -0.4952974319458008, -0.2916950583457947, -0.3401663899421692]}
{"epoch": 67, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1606, "mean_sigma": 0.030136562883853912, "spearman_rho": 0.9843965729285107, "tau": -0.37892431020736694, "elapsed_sec": 67.02369952201843, "epoch_fa_scores": [-0.7196865677833557, -0.7902284264564514, -0.7106695175170898, -0.8915451765060425, -0.7791621685028076, -0.83720463514328, -0.9283245205879211, -0.756318986415863, -0.867574155330658, -0.9282758831977844, -1.0484685897827148, -0.8748303055763245, -0.9967202544212341, -0.9923810958862305, -1.1032954454421997, -0.4987630546092987, -0.4035784602165222, -0.4846583306789398, -0.48843151330947876, -0.4179149568080902, -0.4729940593242645, -0.40226778388023376, -0.487754762172699, -0.5118595361709595, -1.1079070568084717]}
{"epoch": 68, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1629, "mean_sigma": 0.019290350377559662, "spearman_rho": 0.9870128894431157, "tau": -0.37951198816299436, "elapsed_sec": 68.61607766151428, "epoch_fa_scores": [-1.6012195348739624, -1.6036639213562012, -1.6418393850326538, -1.5652614831924438, -0.4413652718067169, -0.7207133769989014, -0.8515958189964294, -0.7821552753448486, -0.6429715156555176, -0.7161266207695007, -0.5784761905670166, -0.3392151892185211, -0.3922036588191986, -0.4468957781791687, -0.46693506836891174, -0.4131495952606201, -0.35195696353912354, -0.3898603618144989, -0.39532867074012756, -0.41333040595054626, -0.453977108001709, -0.4469393491744995, -0.4573943316936493]}
{"epoch": 69, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1654, "mean_sigma": 0.027461756020784378, "spearman_rho": 0.9873614060569892, "tau": -0.3795077443122864, "elapsed_sec": 65.83153510093689, "epoch_fa_scores": [-0.2997303605079651, -0.2933655381202698, -0.35872653126716614, -0.39123964309692383, -0.46446943283081055, -0.47661805152893066, -0.21622684597969055, -0.46294742822647095, -0.376924067735672, -0.31740567088127136, -0.46132251620292664, -0.493169903755188, -0.5101090669631958, -0.5288286209106445, -0.46581634879112244, -0.5354936122894287, -0.6009864807128906, -0.6513433456420898, -0.9172225594520569, -0.8940606713294983, -0.5503855347633362, -0.8033612966537476, -0.9539192914962769, -1.058099627494812, -1.1392935514450073]}
{"epoch": 70, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1679, "mean_sigma": 0.04095343127846718, "spearman_rho": 0.9892981806577962, "tau": -0.37960479855537416, "elapsed_sec": 70.72199153900146, "epoch_fa_scores": [-0.4561798870563507, -0.4687700569629669, -0.490592896938324, -0.5212591886520386, -0.5232774019241333, -0.5319004654884338, -0.7027170658111572, -0.6446159482002258, -0.8183954358100891, -0.9636420607566833, -1.0214295387268066, -0.8680233359336853, -0.8769757151603699, -0.9114652276039124, -0.9172332882881165, -0.2428700476884842, -0.2767029404640198, -0.3451407253742218, -0.40250450372695923, -0.38969898223876953, -0.5129131078720093, -0.4300587773323059, -1.1440619230270386, -1.5150916576385498, -1.520859718322754]}
{"epoch": 71, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1702, "mean_sigma": 0.015907717868685722, "spearman_rho": 0.9815941950454637, "tau": -0.3776861608028411, "elapsed_sec": 67.9969093799591, "epoch_fa_scores": [-0.3255608081817627, -0.3932343125343323, -0.395286500453949, -0.3990410268306732, -0.45847874879837036, -0.035184554755687714, -0.30783718824386597, -0.21678614616394043, -0.30016040802001953, -0.24940739572048187, -0.4611242115497589, -0.3632885813713074, -0.4233671724796295, -0.34832435846328735, -0.3267499804496765, -0.3866210877895355, -0.49079108238220215, -0.2036171406507492, -0.33317556977272034, -0.3337596654891968, -0.3894417881965637, -0.3790035843849182, -0.4087305963039398]}
{"epoch": 72, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1727, "mean_sigma": 0.023516342043876648, "spearman_rho": 0.9850152420155862, "tau": -0.378517735004425, "elapsed_sec": 68.86259627342224, "epoch_fa_scores": [-0.4421800971031189, -0.4643976390361786, -0.4649779796600342, -0.39535629749298096, -0.4668126404285431, -0.4752339720726013, -0.46820831298828125, -0.4130614101886749, -0.4919961988925934, -0.5271555781364441, -0.3910320997238159, -0.35417771339416504, -0.5719876289367676, -0.4959613084793091, -0.48365411162376404, -0.5397447943687439, -0.5510545372962952, -0.646099328994751, -0.7690896391868591, -0.8255060911178589, -0.9013558030128479, -0.9209119081497192, -0.3458515703678131, -0.48593446612358093, -0.5571591258049011]}
{"epoch": 73, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1752, "mean_sigma": 0.017898239195346832, "spearman_rho": 0.9873227291549738, "tau": -0.3789401650428772, "elapsed_sec": 71.74468684196472, "epoch_fa_scores": [-0.4115213453769684, -0.6345227360725403, -0.5821451544761658, -0.6484470963478088, -0.7067510485649109, -0.7746526002883911, -0.7120175361633301, -0.7407820224761963, -0.3611236810684204, -0.3679353892803192, -0.4881154000759125, -0.46133512258529663, -0.7913472056388855, -0.5418348908424377, -0.7111510038375854, -0.7244089245796204, -0.6076270341873169, -0.6791835427284241, -0.8539462089538574, -0.8335793018341064, -0.905057966709137, -0.8411258459091187, -0.3094877302646637, -0.35287556052207947, -0.48346948623657227]}
{"epoch": 74, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1777, "mean_sigma": 0.015003392472863197, "spearman_rho": 0.9879250505881699, "tau": -0.3775903582572937, "elapsed_sec": 71.55622100830078, "epoch_fa_scores": [-0.34761449694633484, -0.4443080723285675, -0.5020456314086914, -0.5096359848976135, -0.431567907333374, -0.4313851594924927, -0.34900516271591187, -0.2950499653816223, -0.350191593170166, -0.3330557942390442, -0.3611246347427368, -0.39826157689094543, -0.24715256690979004, -0.19247111678123474, -0.3539838194847107, -0.3914126455783844, -0.4701540470123291, -0.5603393912315369, -0.4590380787849426, -0.4403093159198761, -0.37509047985076904, -0.3864861726760864, -0.4608553946018219, -0.4770950376987457, -0.4943493902683258]}
{"epoch": 75, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1802, "mean_sigma": 0.0246419794857502, "spearman_rho": 0.9816650110498749, "tau": -0.3789401650428772, "elapsed_sec": 71.11035990715027, "epoch_fa_scores": [-0.8293198347091675, -1.3184751272201538, -1.4499940872192383, -0.9237287044525146, -0.939978837966919, -1.2849818468093872, -0.5807542204856873, -0.6500020623207092, -0.684162974357605, -0.7326985001564026, -0.7974029779434204, -0.8683014512062073, -0.750942051410675, -0.8624504208564758, -1.4338692426681519, -1.5850123167037964, -1.5742676258087158, -1.5984063148498535, -1.6512290239334106, -1.6316578388214111, -1.5668926239013672, -0.7667907476425171, -0.8527868986129761, -1.0496717691421509, -1.029376745223999]}
{"epoch": 76, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1827, "mean_sigma": 0.01703455299139023, "spearman_rho": 0.9824049074538003, "tau": -0.3795072913169861, "elapsed_sec": 72.25617671012878, "epoch_fa_scores": [-0.6679463982582092, -0.745679497718811, -0.7433557510375977, -0.8567653894424438, -0.8349402546882629, -0.7904883027076721, -1.0104351043701172, -1.0211663246154785, -0.8177079558372498, -0.8487130403518677, -0.9542983770370483, -0.8705843687057495, -0.8873074650764465, -0.4301156997680664, -0.601396918296814, -0.49518805742263794, -0.5449827909469604, -0.5577463507652283, -0.522330641746521, -0.5070637464523315, -0.6198751926422119, -0.2769853174686432, -0.3426419496536255, -0.30663296580314636, -0.4066627621650696]}
{"epoch": 77, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1852, "mean_sigma": 0.039976686239242554, "spearman_rho": 0.9841390387108566, "tau": -0.3789401650428772, "elapsed_sec": 71.9753065109253, "epoch_fa_scores": [-0.29093384742736816, -0.3559632897377014, -0.3313213586807251, -0.4080229103565216, -0.5102769732475281, -0.5496264100074768, -0.37528371810913086, -0.3484204113483429, -0.3200678527355194, -0.3808427155017853, -0.41251441836357117, -0.4561149775981903, -0.40600019693374634, -0.31679293513298035, -0.4065161347389221, -0.45924296975135803, -0.5175239443778992, -0.5776215195655823, -0.5955341458320618, -0.5901892781257629, -0.606587290763855, -0.4149080514907837, -0.5003048777580261, -0.5360133647918701, -0.7124642729759216]}
{"epoch": 78, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1877, "mean_sigma": 0.030691683292388916, "spearman_rho": 0.9837256926764597, "tau": -0.378517735004425, "elapsed_sec": 75.61766195297241, "epoch_fa_scores": [-0.31533777713775635, -0.3455168902873993, -0.3919532299041748, -0.407757967710495, -0.32273775339126587, -0.4699215292930603, -0.4584576487541199, -0.4000938832759857, -0.46403399109840393, -0.46979573369026184, -0.5197722911834717, -0.5264913439750671, -0.5333905220031738, -0.2546425461769104, -0.38663268089294434, -0.3996439278125763, -0.37383612990379333, -0.5072007775306702, -0.4706138074398041, -0.4822513461112976, -0.7948542833328247, -0.3716835379600525, -0.4912288188934326, -0.6648872494697571, -0.6595689058303833]}
{"epoch": 79, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1902, "mean_sigma": 0.020040126517415047, "spearman_rho": 0.9838706168277108, "tau": -0.37910428047180167, "elapsed_sec": 72.62415051460266, "epoch_fa_scores": [-0.29747965931892395, -0.44565388560295105, -0.4749767482280731, -0.4300486147403717, -0.48581552505493164, -0.8270769715309143, -0.7551329731941223, -0.8645480871200562, -0.9248846769332886, -0.7942597270011902, -0.8458884358406067, -0.9449930787086487, -0.9243109822273254, -0.5802018642425537, -0.7578352093696594, -0.8088924884796143, -0.9442808628082275, -0.8403368592262268, -0.7810871601104736, -0.7714948654174805, -0.7854522466659546, -0.3688206076622009, -0.3418733477592468, -0.45220252871513367, -0.45438632369041443]}
{"epoch": 80, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1927, "mean_sigma": 0.015971556305885315, "spearman_rho": 0.9855936651104639, "tau": -0.3795446097850799, "elapsed_sec": 71.81395196914673, "epoch_fa_scores": [-0.6317026019096375, -0.8380135297775269, -0.8029542565345764, -0.7404518723487854, -0.7543722987174988, -0.8070955276489258, -0.8114895820617676, -0.8500697612762451, -0.3770799934864044, -0.4978858232498169, -0.6057665348052979, -0.9041432738304138, -0.79048752784729, -0.8485665917396545, -0.9542694687843323, -0.8631384372711182, -0.7488223314285278, -0.6711284518241882, -0.6395422220230103, -0.6305909752845764, -0.8243470788002014, -0.7352312207221985, -0.6373754739761353, -0.8224560022354126, -0.24815252423286438]}
{"epoch": 81, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1935, "mean_sigma": 0.021243516355752945, "spearman_rho": 0.9868121211800716, "tau": -0.37940636873245237, "elapsed_sec": 70.9109206199646, "epoch_fa_scores": [-0.3481520414352417, -0.3761230409145355, -0.40352532267570496, -0.3949950933456421, -0.2724423110485077, -0.36193427443504333, -0.5385794043540955, -0.9095801711082458]}
{"epoch": 82, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1958, "mean_sigma": 0.024516645818948746, "spearman_rho": 0.9792211301003784, "tau": -0.37920497655868524, "elapsed_sec": 70.19031715393066, "epoch_fa_scores": [-1.5214827060699463, -1.4412657022476196, -0.2736130356788635, -0.4371272623538971, -0.4584816098213196, -0.4773557186126709, -0.5005998015403748, -0.6698590517044067, -0.5530730485916138, -0.12015708535909653, -0.20346394181251526, -0.35188058018684387, -0.3579898774623871, -0.5875149369239807, -0.6617056727409363, -0.7488627433776855, -0.9135889410972595, -0.8812657594680786, -0.96263587474823, -0.9193534851074219, -0.9019296765327454, -0.7792711853981018, -0.9296146035194397]}
{"epoch": 83, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 1983, "mean_sigma": 0.016900062561035156, "spearman_rho": 0.9827651726669867, "tau": -0.37920497655868524, "elapsed_sec": 73.07538938522339, "epoch_fa_scores": [-0.30516692996025085, -0.3611321449279785, -0.40461745858192444, -0.38935720920562744, -0.42801618576049805, -0.4662247896194458, -0.4181918203830719, -0.4578847885131836, -0.49022915959358215, -0.7891132235527039, -0.516248881816864, -0.7401850819587708, -0.6667123436927795, -0.8105456829071045, -0.8081806302070618, -0.34324195981025696, -0.44558751583099365, -0.4456700086593628, -0.38208532333374023, -0.4054100513458252, -0.4686697721481323, -0.45523014664649963, -0.24969099462032318, -0.29504111409187317, -0.4983677566051483]}
{"epoch": 84, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2007, "mean_sigma": 0.029020056128501892, "spearman_rho": 0.9844397284992642, "tau": -0.3795446097850799, "elapsed_sec": 69.90118479728699, "epoch_fa_scores": [-0.42190179228782654, -0.4584707021713257, -0.4734702706336975, -0.46532443165779114, -0.47730088233947754, -0.5195825099945068, -0.5279659032821655, -0.7121018171310425, -0.18382394313812256, -0.28870511054992676, -0.4629538059234619, -0.39307770133018494, -0.4554557800292969, -0.7330768704414368, -0.8229085803031921, -0.8097973465919495, -1.017568826675415, -0.7889423370361328, -0.7975760102272034, -1.0040446519851685, -0.9851586222648621, -0.8462693691253662, -0.9196951389312744, -0.8790242671966553]}
{"epoch": 85, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2032, "mean_sigma": 0.03319130837917328, "spearman_rho": 0.9827107065799254, "tau": -0.3783875286579132, "elapsed_sec": 71.23498630523682, "epoch_fa_scores": [-0.5331422686576843, -0.6890038251876831, -0.680363655090332, -0.5734657645225525, -0.6657682061195374, -0.727211594581604, -0.7975494265556335, -0.22002604603767395, -0.20538289844989777, -0.3056803047657013, -0.356591135263443, -0.28088757395744324, -0.24001790583133698, -0.24151767790317535, -0.18888044357299805, -0.27363350987434387, -0.35119232535362244, -0.3940722644329071, -0.394424706697464, -0.3188178241252899, -0.5342094898223877, -0.3818775713443756, -0.6817543506622314, -1.0475525856018066, -1.2230855226516724]}
{"epoch": 86, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2057, "mean_sigma": 0.027811409905552864, "spearman_rho": 0.9762860074473929, "tau": -0.3775761842727661, "elapsed_sec": 76.99617147445679, "epoch_fa_scores": [-0.30277642607688904, -0.4000895917415619, -0.36924317479133606, -0.34655603766441345, -0.46337273716926575, -0.35483452677726746, -0.403470516204834, -0.31876879930496216, -0.33441177010536194, -0.37652337551116943, -0.40312889218330383, -0.5112431049346924, -0.40467163920402527, -0.3890099823474884, -0.39968791604042053, -0.39256370067596436, -0.4266379475593567, -0.4554310739040375, -0.460852712392807, -0.45809292793273926, -0.4565134644508362, -0.5502150058746338, -0.34571102261543274, -0.506365180015564, -0.3324490189552307]}
{"epoch": 87, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2064, "mean_sigma": 0.026322877034544945, "spearman_rho": 0.9800297197447835, "tau": -0.37719005942344663, "elapsed_sec": 79.98235535621643, "epoch_fa_scores": [-0.3023333251476288, -0.5574424862861633, -0.6434597969055176, -0.662719190120697, -0.6619553565979004, -0.3771679401397705, -0.3344537019729614]}
{"epoch": 88, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2089, "mean_sigma": 0.021214334294199944, "spearman_rho": 0.9789236684714925, "tau": -0.3766826570034027, "elapsed_sec": 74.83323216438293, "epoch_fa_scores": [-0.12570640444755554, -0.3022748827934265, -0.1762731969356537, -0.20950840413570404, -0.29390639066696167, -0.26107439398765564, -0.7249600887298584, -0.6305886507034302, -0.5917511582374573, -0.8919587135314941, -0.941674530506134, -0.9233227968215942, -0.9221872091293335, -0.624062716960907, -0.3255535066127777, -0.4569719433784485, -0.4611011743545532, -0.5101475715637207, -0.47472354769706726, -0.5351042747497559, -0.531810462474823, -0.5662646889686584, -0.27230194211006165, -0.25808581709861755, -0.4398251473903656]}
{"epoch": 89, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2113, "mean_sigma": 0.028616247698664665, "spearman_rho": 0.9782676690969756, "tau": -0.37577850818634034, "elapsed_sec": 74.04574298858643, "epoch_fa_scores": [-0.8497229814529419, -0.779642641544342, -0.6764234900474548, -0.7813739776611328, -0.7473132014274597, -0.8166545629501343, -0.9257820248603821, -0.3177706301212311, -0.24621352553367615, -0.3344576060771942, -0.4346666634082794, -0.47920721769332886, -0.5640386939048767, -0.5273610353469849, -0.31959593296051025, -0.32002782821655273, -0.2415107637643814, -0.3339442312717438, -0.3535829782485962, -0.27969592809677124, -0.32071787118911743, -0.37644052505493164, -0.35598015785217285, -0.39636102318763733]}
{"epoch": 90, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2138, "mean_sigma": 0.02332518808543682, "spearman_rho": 0.9844373604159096, "tau": -0.3750954270362854, "elapsed_sec": 76.86410999298096, "epoch_fa_scores": [-0.6519465446472168, -0.8688051700592041, -0.8031179904937744, -0.8250570893287659, -1.0135573148727417, -0.9384444355964661, -0.36046960949897766, -0.34909436106681824, -0.3411765694618225, -0.31642284989356995, -0.3791750967502594, -0.3797464072704315, -0.3711453974246979, -0.37370312213897705, -0.2649950683116913, -0.3611171841621399, -0.3951852023601532, -0.4315022826194763, -0.4832405149936676, -0.5273679494857788, -0.5305203199386597, -0.5547400712966919, -0.3290508985519409, -0.456844687461853, -0.5337826013565063]}
{"epoch": 91, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2163, "mean_sigma": 0.03082721121609211, "spearman_rho": 0.9830572845440105, "tau": -0.37553540468215935, "elapsed_sec": 76.71116805076599, "epoch_fa_scores": [-0.7284157276153564, -0.8298198580741882, -0.9038001298904419, -0.8328271508216858, -0.8936707973480225, -0.9346574544906616, -0.9093090295791626, -1.0344130992889404, -0.7155571579933167, -0.776578962802887, -0.7765886187553406, -0.6538822650909424, -0.9406612515449524, -0.798493504524231, -0.8266501426696777, -0.8766534924507141, -1.1847456693649292, -0.35788029432296753, -0.36110132932662964, -0.6093478202819824, -0.5335665941238403, -0.5850439071655273, -0.5966772437095642, -0.5806787610054016, -0.669310986995697]}
{"epoch": 92, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2188, "mean_sigma": 0.022206028923392296, "spearman_rho": 0.9811762727993666, "tau": -0.37508638501167296, "elapsed_sec": 76.97134852409363, "epoch_fa_scores": [-0.39097321033477783, -0.4526316523551941, -0.4664820432662964, -0.4609676003456116, -0.5578388571739197, -0.5117006897926331, -0.5306082963943481, -0.2648210823535919, -0.2543984651565552, -0.42323973774909973, -0.42978477478027344, -0.2848540246486664, -0.38134902715682983, -0.3611315190792084, -0.408111035823822, -0.2131137102842331, -0.25293147563934326, -0.3257160484790802, -0.38857731223106384, -0.3960884213447571, -0.3913905620574951, -0.3632911741733551, -0.3740871250629425, -0.4379134774208069, -0.4434153139591217]}
{"epoch": 93, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2213, "mean_sigma": 0.02617248147726059, "spearman_rho": 0.982492081283376, "tau": -0.3751751959323883, "elapsed_sec": 80.1844265460968, "epoch_fa_scores": [-0.2496795356273651, -0.4403408467769623, -0.35445502400398254, -0.4193577468395233, -0.37448596954345703, -0.3940718472003937, -0.40561383962631226, -0.5246810913085938, -0.3841390311717987, -0.38433176279067993, -0.44694891571998596, -0.4584735929965973, -0.45350411534309387, -0.5418466925621033, -0.5681594014167786, -0.5353983044624329, -0.5073092579841614, -0.6571080088615417, -0.5231349468231201, -0.4224306344985962, -0.5008618235588074, -0.4911649823188782, -0.4772360026836395, -0.510927677154541, -0.5789226293563843]}
{"epoch": 94, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2237, "mean_sigma": 0.04788161814212799, "spearman_rho": 0.9841889920131117, "tau": -0.37584159970283504, "elapsed_sec": 83.85740518569946, "epoch_fa_scores": [-0.4978151321411133, -0.36691948771476746, -0.7038660049438477, -0.7073462605476379, -0.6627058982849121, -0.7572045922279358, -0.7310011982917786, -0.7256117463111877, -0.7355467081069946, -0.7957936525344849, -0.7559989094734192, -0.7954785227775574, -0.9454221129417419, -0.8877080678939819, -0.9307671189308167, -0.8510420918464661, -1.5650441646575928, -1.8193284273147583, -1.5865542888641357, -1.761683702468872, -1.7709715366363525, -1.6567161083221436, -1.565259575843811, -1.6746371984481812]}
{"epoch": 95, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2262, "mean_sigma": 0.02350098267197609, "spearman_rho": 0.9844134107123921, "tau": -0.3761858284473419, "elapsed_sec": 78.54142928123474, "epoch_fa_scores": [-0.39125490188598633, -0.32674652338027954, -0.45696255564689636, -0.5061622858047485, -0.48741042613983154, -0.4734952449798584, -0.8349072337150574, -0.5731756091117859, -0.6190228462219238, -0.8380757570266724, -0.7689787149429321, -0.8144800066947937, -0.8915307521820068, -0.8498032689094543, -0.6434215307235718, -0.6949573755264282, -0.6807761788368225, -0.7728869915008545, -0.8764145374298096, -0.7389847040176392, -0.7840244174003601, -0.8373003005981445, -0.3517383933067322, -0.35664796829223633, -0.39492127299308777]}
{"epoch": 96, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2287, "mean_sigma": 0.023049388080835342, "spearman_rho": 0.9860203317277313, "tau": -0.37643768787384035, "elapsed_sec": 82.93744134902954, "epoch_fa_scores": [-0.45671287178993225, -0.513035774230957, -0.25308191776275635, -0.6824477314949036, -0.6724666357040405, -0.3529721200466156, -0.39709538221359253, -0.7311227917671204, -0.46488088369369507, -0.4734964668750763, -0.45537567138671875, -0.545706033706665, -0.4943186938762665, -0.5160204768180847, -0.38587015867233276, -0.3792687952518463, -0.16460028290748596, -0.3924076557159424, -0.36402761936187744, -0.46085619926452637, -0.7063692212104797, -0.7490067481994629, -0.7480937242507935, -0.8718380331993103, -0.7140417098999023]}
{"epoch": 97, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2312, "mean_sigma": 0.0168817900121212, "spearman_rho": 0.9712914638246537, "tau": -0.3751390218734741, "elapsed_sec": 82.66750621795654, "epoch_fa_scores": [-0.11982693523168564, -0.3088496923446655, -0.2630617320537567, -0.20653273165225983, -0.2877280116081238, -0.34391486644744873, -0.33454397320747375, -0.23517480492591858, -0.34183260798454285, -0.3327936828136444, -0.45732757449150085, -0.4736747145652771, -0.42823323607444763, -0.6518272757530212, -0.3581122159957886, -0.4163471460342407, -0.5367675423622131, -0.5518754124641418, -0.7806167602539062, -0.5113694667816162, -0.5411245226860046, -0.3496525287628174, -0.5206929445266724, -0.6689891815185547, -0.6013752222061157]}
{"epoch": 98, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2337, "mean_sigma": 0.02788083627820015, "spearman_rho": 0.9814102553570694, "tau": -0.37577728033065794, "elapsed_sec": 85.12503933906555, "epoch_fa_scores": [-0.8574050068855286, -1.1230273246765137, -1.0726163387298584, -1.1603217124938965, -1.0697051286697388, -0.5368043184280396, -0.5302562117576599, -0.4038717448711395, -0.40121889114379883, -0.4364129900932312, -0.46317967772483826, -0.5613865852355957, -0.5623102784156799, -0.8291175365447998, -0.7289203405380249, -0.7309750914573669, -0.7822059988975525, -0.804465651512146, -0.7888928651809692, -0.8264380097389221, -0.3611193597316742, -0.37509140372276306, -0.45846855640411377, -0.4684910178184509, -0.4835580587387085]}
{"epoch": 99, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2361, "mean_sigma": 0.03795723617076874, "spearman_rho": 0.9863465811673775, "tau": -0.37578219175338745, "elapsed_sec": 85.67090511322021, "epoch_fa_scores": [-1.3443933725357056, -1.2160762548446655, -1.6133320331573486, -1.4192732572555542, -1.5889071226119995, -0.24618412554264069, -0.2821587920188904, -0.44412919878959656, -0.38842496275901794, -0.46133843064308167, -0.6246137022972107, -0.5964707732200623, -0.2674741744995117, -0.34755924344062805, -0.508971631526947, -0.6027774810791016, -0.5632176399230957, -0.5864551067352295, -0.6123484969139099, -0.5700880885124207, -0.5040992498397827, -0.7533548474311829, -0.6593902111053467, -0.6647937297821045]}
{"epoch": 100, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2386, "mean_sigma": 0.025893326848745346, "spearman_rho": 0.9771882768270836, "tau": -0.3757760524749756, "elapsed_sec": 81.43903183937073, "epoch_fa_scores": [-0.50932776927948, -0.6553813815116882, -0.5736996531486511, -0.5938039422035217, -0.6128149628639221, -0.7929936647415161, -0.7561080455780029, -0.7478002309799194, -1.3518520593643188, -1.0058852434158325, -1.3372989892959595, -1.70181143283844, -1.6623469591140747, -0.3417105972766876, -0.34958404302597046, -0.35922184586524963, -0.34438613057136536, -0.36849045753479004, -0.41152819991111755, -0.4026661813259125, -0.3927012085914612, -0.3535740375518799, -0.3955880403518677, -0.4719538986682892, -0.5369855761528015]}
{"epoch": 101, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2411, "mean_sigma": 0.020560650154948235, "spearman_rho": 0.9836236439761777, "tau": -0.375374972820282, "elapsed_sec": 81.68387866020203, "epoch_fa_scores": [-0.2688041031360626, -0.316425621509552, -0.4569703936576843, -0.3940613269805908, -0.42225778102874756, -0.45986640453338623, -0.4669566750526428, -0.32555249333381653, -0.3351101577281952, -0.3927007019519806, -0.5096330046653748, -0.5616248250007629, -0.5477135181427002, -0.4501476287841797, -0.44050613045692444, -0.28210344910621643, -0.39559245109558105, -0.4994334280490875, -0.6454964876174927, -0.5487419962882996, -0.5510644316673279, -0.7577511072158813, -0.599558413028717, -0.2821871042251587, -0.38948118686676025]}
{"epoch": 102, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2436, "mean_sigma": 0.03734873607754707, "spearman_rho": 0.9847765961167714, "tau": -0.37578219175338745, "elapsed_sec": 86.40569949150085, "epoch_fa_scores": [-0.4674835205078125, -0.5118493437767029, -0.5155637264251709, -0.581892728805542, -0.8800265192985535, -0.9641132950782776, -0.4439947009086609, -0.2791590094566345, -0.34736332297325134, -0.40001142024993896, -0.4182961583137512, -0.46149906516075134, -0.8274380564689636, -0.8570084571838379, -0.9361274242401123, -0.7673125267028809, -0.8291247487068176, -0.7661101818084717, -0.9725587964057922, -0.9643357396125793, -0.3692214787006378, -0.5330295562744141, -0.6008647680282593, -0.6407861113548279, -0.6528609395027161]}
{"epoch": 103, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2458, "mean_sigma": 0.03178368881344795, "spearman_rho": 0.9824493071753199, "tau": -0.3760967552661896, "elapsed_sec": 82.46730375289917, "epoch_fa_scores": [-0.39677053689956665, -0.424420565366745, -0.4688169062137604, -0.5021143555641174, -0.6179503202438354, -0.7705137729644775, -0.6987816691398621, -0.3762653172016144, -0.43126147985458374, -0.41547587513923645, -0.5093160271644592, -0.09613572061061859, -0.219061017036438, -0.21209651231765747, -0.5656937956809998, -0.5162984132766724, -0.7796434164047241, -0.6168090105056763, -0.6006135940551758, -0.7783294916152954, -0.8713405132293701, -0.8741430044174194]}
{"epoch": 104, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2483, "mean_sigma": 0.01715852878987789, "spearman_rho": 0.9810918049074145, "tau": -0.3760967552661896, "elapsed_sec": 84.87436413764954, "epoch_fa_scores": [-0.6686251759529114, -0.8821350336074829, -0.7217844128608704, -0.724000096321106, -0.7898684740066528, -0.8735042214393616, -0.936172604560852, -0.7917079925537109, -0.29036206007003784, -0.3411855697631836, -0.39080896973609924, -0.39560219645500183, -0.39761993288993835, -0.41810378432273865, -0.4010409414768219, -0.46626222133636475, -0.5903053879737854, -0.5957245230674744, -0.6651898622512817, -0.7274745106697083, -0.7036648988723755, -0.7352219223976135, -0.20881813764572144, -0.32373324036598206, -0.3548533022403717]}
{"epoch": 105, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2508, "mean_sigma": 0.022500161081552505, "spearman_rho": 0.9836626857390612, "tau": -0.3759010076522827, "elapsed_sec": 84.99516773223877, "epoch_fa_scores": [-0.3708097040653229, -0.4890114665031433, -0.5981634855270386, -0.6598113775253296, -0.7062628865242004, -0.861004650592804, -0.6796876192092896, -0.7743924260139465, -0.5766431093215942, -0.5320290923118591, -0.5553529858589172, -0.43881461024284363, -0.5547419190406799, -0.5749236345291138, -0.5590182542800903, -0.574415385723114, -0.27436888217926025, -0.3483886420726776, -0.2969512343406677, -0.39494457840919495, -0.49618253111839294, -0.49491599202156067, -0.42120304703712463, -0.26183968782424927, -0.27734068036079407]}
{"epoch": 106, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2533, "mean_sigma": 0.02747776359319687, "spearman_rho": 0.9836846544522737, "tau": -0.37577850818634034, "elapsed_sec": 85.80600023269653, "epoch_fa_scores": [-0.5731897950172424, -0.5794461965560913, -0.6415722966194153, -0.6407239437103271, -0.7113169431686401, -0.6589769721031189, -0.9098809957504272, -0.49497875571250916, -0.4171087145805359, -0.31856805086135864, -0.4668612480163574, -0.405686616897583, -0.4079018533229828, -0.46541276574134827, -0.18866127729415894, -0.37089183926582336, -0.3417523205280304, -0.3511991798877716, -0.33149033784866333, -0.4469468593597412, -0.42360228300094604, -0.4802440404891968, -0.40757879614830017, -0.6734154224395752, -0.7339264154434204]}
{"epoch": 107, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2558, "mean_sigma": 0.029370302334427834, "spearman_rho": 0.984930956510527, "tau": -0.37643839716911315, "elapsed_sec": 84.2721734046936, "epoch_fa_scores": [-0.7810040712356567, -0.8103188872337341, -0.8143542408943176, -0.6883121728897095, -0.933259904384613, -0.8742288947105408, -0.8541035652160645, -0.9440316557884216, -0.6463821530342102, -0.5797746777534485, -0.6099643111228943, -0.7576649785041809, -0.8673964142799377, -0.9280400276184082, -0.7728843688964844, -1.0033702850341797, -0.7481167316436768, -0.7419137954711914, -1.0414907932281494, -0.8996090292930603, -0.8375887274742126, -0.8900662660598755, -0.8871444463729858, -0.6278693079948425, -0.7428820729255676]}
{"epoch": 108, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2583, "mean_sigma": 0.020232459530234337, "spearman_rho": 0.9736295402485992, "tau": -0.37665457725524903, "elapsed_sec": 88.98001456260681, "epoch_fa_scores": [-0.7039509415626526, -0.5403364300727844, -0.5775874853134155, -0.7427824139595032, -0.7482990026473999, -0.7538166046142578, -0.6516622304916382, -0.7339470386505127, -0.6080314517021179, -0.8007124662399292, -0.8426253199577332, -0.7133206129074097, -0.8902862071990967, -0.688667356967926, -1.0382273197174072, -0.7126805782318115, -0.5958452224731445, -0.7648211717605591, -0.8995541930198669, -0.9465596675872803, -0.8353776335716248, -0.7647308111190796, -0.9125590920448303, -0.32176101207733154, -0.3699176609516144]}
{"epoch": 109, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2608, "mean_sigma": 0.07202955335378647, "spearman_rho": 0.9846749808118066, "tau": -0.37718268632888796, "elapsed_sec": 89.18430137634277, "epoch_fa_scores": [-0.39557522535324097, -0.39996597170829773, -0.39608216285705566, -0.3887031376361847, -0.5154909491539001, -0.4151975214481354, -0.5614789128303528, -0.44654911756515503, -0.42281365394592285, -0.4282158613204956, -0.5435733199119568, -0.3643300235271454, -0.446200430393219, -0.5006054043769836, -0.7792247533798218, -0.46870553493499756, -0.515661895275116, -0.3913973271846771, -0.4840381145477295, -0.5157288312911987, -0.5162805914878845, -0.5517199635505676, -1.2873224020004272, -1.138719081878662, -1.4962304830551147]}
{"epoch": 110, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2615, "mean_sigma": 0.010477999225258827, "spearman_rho": 0.9829952177731862, "tau": -0.37658340930938716, "elapsed_sec": 89.56701827049255, "epoch_fa_scores": [-0.4151596426963806, -0.2592523694038391, -0.3337482511997223, -0.2711857557296753, -0.27845463156700134, -0.2743569612503052, -0.34956058859825134]}
{"epoch": 111, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2638, "mean_sigma": 0.032734595239162445, "spearman_rho": 0.9825235131551415, "tau": -0.37633398175239563, "elapsed_sec": 88.38239669799805, "epoch_fa_scores": [-0.3181425631046295, -0.44150111079216003, -0.3198878765106201, -0.39401641488075256, -0.3941853642463684, -0.41652631759643555, -0.4519796669483185, -1.6872637271881104, -1.7454296350479126, -0.19219154119491577, -0.30221739411354065, -0.31800106167793274, -0.35626447200775146, -0.2755379378795624, -0.4945225417613983, -0.5022099614143372, -0.3560885190963745, -0.4335121810436249, -0.5478842258453369, -0.4686849117279053, -0.6116247177124023, -0.5230811834335327, -0.6033843755722046]}
{"epoch": 112, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2663, "mean_sigma": 0.012329252436757088, "spearman_rho": 0.9812254811765145, "tau": -0.37655339241027835, "elapsed_sec": 89.43526792526245, "epoch_fa_scores": [-0.6854024529457092, -0.8378509283065796, -0.9111713767051697, -0.937880277633667, -0.9386595487594604, -0.9408782124519348, -0.9347999691963196, -0.8842214345932007, -0.6777403354644775, -0.6965963244438171, -0.9224665760993958, -0.7271390557289124, -0.8601805567741394, -0.7814527153968811, -0.7851751446723938, -0.8233715295791626, -0.38458314538002014, -0.394075870513916, -0.3670056462287903, -0.4730816185474396, -0.45457249879837036, -0.46185606718063354, -0.5545081496238708, -0.6256972551345825, -0.32555776834487915]}
{"epoch": 113, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2685, "mean_sigma": 0.031179416924715042, "spearman_rho": 0.9790495528572378, "tau": -0.37658340930938716, "elapsed_sec": 88.04502010345459, "epoch_fa_scores": [-0.34814661741256714, -0.3455311059951782, -0.3423740863800049, -0.327173113822937, -0.48208773136138916, -0.5356205105781555, -0.8045031428337097, -0.6711280941963196, -0.646939754486084, -0.7655328512191772, -0.6921505928039551, -0.7027674317359924, -0.6992384791374207, -0.7586315274238586, -0.7373180985450745, -0.6236725449562073, -0.6877025961875916, -0.8540797233581543, -0.6706409454345703, -0.8675545454025269, -0.7401536107063293, -0.7343404293060303]}
{"epoch": 114, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2709, "mean_sigma": 0.026555290445685387, "spearman_rho": 0.987425870804694, "tau": -0.37713276147842406, "elapsed_sec": 91.24490427970886, "epoch_fa_scores": [-1.184124231338501, -1.1423360109329224, -1.398058295249939, -1.4614312648773193, -1.455795407295227, -1.6788769960403442, -1.697269082069397, -0.33810245990753174, -0.4364736080169678, -0.443545401096344, -0.6726036667823792, -0.6903210282325745, -0.7376489639282227, -0.8273002505302429, -0.725045919418335, -0.7088330984115601, -0.6920630931854248, -0.5817338228225708, -0.5919459462165833, -0.6655377149581909, -0.4555441439151764, -0.6124972701072693, -0.8187191486358643, -1.1037622690200806]}
{"epoch": 115, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2734, "mean_sigma": 0.031571127474308014, "spearman_rho": 0.9800585079634815, "tau": -0.37786393761634823, "elapsed_sec": 87.23990797996521, "epoch_fa_scores": [-1.685019850730896, -1.6695424318313599, -1.6966501474380493, -1.7097463607788086, -1.7034821510314941, -1.7600854635238647, -1.7129696607589722, -1.7167413234710693, -0.5835825800895691, -0.4653782546520233, -0.8305817246437073, -0.878162682056427, -0.9088046550750732, -0.761922299861908, -0.8617038726806641, -0.7695868611335754, -0.9745356440544128, -1.0339854955673218, -0.8764227628707886, -0.9913489818572998, -1.0432946681976318, -0.7655245661735535, -0.7977057695388794, -0.7028551697731018, -0.8397056460380554]}
{"epoch": 116, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2759, "mean_sigma": 0.019156908616423607, "spearman_rho": 0.9805957567460811, "tau": -0.3789718747138977, "elapsed_sec": 83.97242069244385, "epoch_fa_scores": [-0.4675242006778717, -0.5475897192955017, -0.475477010011673, -0.6104409098625183, -0.7295459508895874, -0.7651399374008179, -0.7478541135787964, -0.8618762493133545, -0.8695964217185974, -0.8535969257354736, -0.8986840844154358, -0.9590350985527039, -0.9590080976486206, -0.9236399531364441, -1.0657141208648682, -1.0249160528182983, -0.3688196539878845, -0.589004397392273, -0.5083791017532349, -0.5318828821182251, -0.5821427702903748, -0.5723663568496704, -0.574674665927887, -0.5969129204750061, -0.4569649398326874]}
{"epoch": 117, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2784, "mean_sigma": 0.025592733174562454, "spearman_rho": 0.980767879806868, "tau": -0.3791064918041229, "elapsed_sec": 83.39066529273987, "epoch_fa_scores": [-0.3024774193763733, -0.3083909749984741, -0.36192694306373596, -0.3912757635116577, -0.4997492730617523, -0.45618540048599243, -0.4615592360496521, -0.5346428751945496, -0.7599714398384094, -0.973071277141571, -0.6735116243362427, -0.6277957558631897, -0.7736508250236511, -0.7796933650970459, -0.8459587097167969, -0.7284983992576599, -0.7172566056251526, -0.6606194972991943, -0.6726157665252686, -0.6642731428146362, -0.7704465389251709, -0.3492835760116577, -0.391416996717453, -0.4608434736728668, -0.5221706032752991]}
{"epoch": 118, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2806, "mean_sigma": 0.026856999844312668, "spearman_rho": 0.9807914688579292, "tau": -0.3772048056125641, "elapsed_sec": 78.95740509033203, "epoch_fa_scores": [-0.34604570269584656, -0.40676262974739075, -0.4614652097225189, -0.5522381663322449, -0.436697781085968, -0.493672639131546, -0.5006682872772217, -0.53339022397995, -0.3364768326282501, -0.20960888266563416, -0.21711628139019012, -0.2871221601963043, -0.4322263300418854, -0.26887962222099304, -0.3479384481906891, -0.42810025811195374, -0.19545131921768188, -0.11137386411428452, -0.20563752949237823, -0.2977162301540375, -0.3593269884586334, -0.1547432243824005]}
{"epoch": 119, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2830, "mean_sigma": 0.015293266624212265, "spearman_rho": 0.9692386581998113, "tau": -0.37611427903175354, "elapsed_sec": 84.99173903465271, "epoch_fa_scores": [-0.2561790645122528, -0.2739608585834503, -0.32504186034202576, -0.3481440246105194, -0.33825966715812683, -0.4009331166744232, -0.23669719696044922, -0.2660118043422699, -0.36414092779159546, -0.3581502437591553, -0.3154553472995758, -0.3744916021823883, -0.3940737843513489, -0.28080683946609497, -0.36921095848083496, -0.30081644654273987, -0.31777191162109375, -0.4000754952430725, -0.45842403173446655, -0.39155668020248413, -0.4649103283882141, -0.40165045857429504, -0.44905444979667664, -0.48307105898857117]}
{"epoch": 120, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2855, "mean_sigma": 0.03446678817272186, "spearman_rho": 0.9841950819457121, "tau": -0.3762368619441986, "elapsed_sec": 85.2332694530487, "epoch_fa_scores": [-0.8944710493087769, -0.8542010188102722, -0.8624181151390076, -0.8830992579460144, -0.9069289565086365, -0.9839373230934143, -0.8247382044792175, -0.9339717626571655, -0.7283207774162292, -0.8364347815513611, -0.6006833910942078, -0.7483315467834473, -0.5623539686203003, -0.6386504769325256, -0.7155234813690186, -0.8224690556526184, -0.2852919101715088, -0.29197657108306885, -0.3165128827095032, -0.44471651315689087, -0.395607054233551, -0.22430875897407532, -0.46083247661590576, -0.4276372492313385, -0.4875842034816742]}
{"epoch": 121, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2880, "mean_sigma": 0.044993963092565536, "spearman_rho": 0.9849783430962895, "tau": -0.3750912189483643, "elapsed_sec": 82.14747524261475, "epoch_fa_scores": [-0.12447144836187363, -0.20073509216308594, -0.014695842750370502, -0.2584575116634369, -0.18618018925189972, -0.22100624442100525, -0.2688995599746704, -0.2887972295284271, -0.31368568539619446, -0.3481663465499878, -0.34272199869155884, -0.4669506549835205, -0.548272430896759, -0.26839932799339294, -0.34604454040527344, -0.46083739399909973, -0.4254550635814667, -0.46285998821258545, -0.754719614982605, -0.679517388343811, -0.7783241271972656, -0.7250281572341919, -0.8606464266777039, -0.7632419466972351, -0.6339983344078064]}
{"epoch": 122, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2905, "mean_sigma": 0.02707243710756302, "spearman_rho": 0.9811484677405905, "tau": -0.37510055899620054, "elapsed_sec": 87.6594250202179, "epoch_fa_scores": [-0.6430158615112305, -0.6437607407569885, -0.9657956957817078, -0.7242181301116943, -0.7408179640769958, -0.9323738813400269, -0.8272272348403931, -0.9167104959487915, -0.5028418302536011, -0.64681476354599, -0.7594813704490662, -0.828015148639679, -0.9045668244361877, -0.819449782371521, -1.1108710765838623, -0.896656334400177, -0.3235734701156616, -0.3259388208389282, -0.44994908571243286, -0.41416582465171814, -0.4006440043449402, -0.3642496168613434, -0.39399486780166626, -0.49160322546958923, -0.35698458552360535]}
{"epoch": 123, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2930, "mean_sigma": 0.041503917425870895, "spearman_rho": 0.9806752338684341, "tau": -0.37508911490440366, "elapsed_sec": 85.27536916732788, "epoch_fa_scores": [-0.31456446647644043, -0.30382758378982544, -0.38034310936927795, -0.5449148416519165, -0.44126030802726746, -0.5117631554603577, -0.5067212581634521, -0.46629688143730164, -0.4469388723373413, -0.5240840911865234, -0.5447368621826172, -0.5179758667945862, -0.5343411564826965, -0.09191298484802246, -0.3321067690849304, -0.1900942325592041, -0.11930426210165024, -0.3030140995979309, -0.8066967725753784, -0.6011384725570679, -0.5665603876113892, -0.5031386613845825, -0.5187996029853821, -0.6895054578781128, -0.6749758720397949]}
{"epoch": 124, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2955, "mean_sigma": 0.04145689681172371, "spearman_rho": 0.978290518888639, "tau": -0.3750912189483643, "elapsed_sec": 88.49514722824097, "epoch_fa_scores": [-0.8931509256362915, -0.8732709288597107, -0.9611043334007263, -0.8786336779594421, -0.9201151132583618, -0.8970586657524109, -0.901157021522522, -0.2502542734146118, -0.4101584255695343, -0.2814543843269348, -0.46149906516075134, -0.500853955745697, -0.4650191366672516, -0.5241344571113586, -0.4945446848869324, -0.2062644213438034, -0.19402748346328735, -0.46394771337509155, -0.39139726758003235, -0.7680541276931763, -0.8426770567893982, -0.6651903986930847, -0.8786236643791199, -0.8324136734008789, -0.8103349208831787]}
{"epoch": 125, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 2979, "mean_sigma": 0.030159249901771545, "spearman_rho": 0.9803846633269103, "tau": -0.3757797360420227, "elapsed_sec": 88.61229920387268, "epoch_fa_scores": [-0.5192326307296753, -0.42514175176620483, -0.6249277591705322, -0.4805610775947571, -0.6777623295783997, -0.6033304333686829, -0.5504828691482544, -0.595756471157074, -0.5891371965408325, -0.5580881834030151, -0.6220632195472717, -0.7158656120300293, -0.6455908417701721, -0.45219868421554565, -0.44954127073287964, -0.6057261228561401, -0.6489317417144775, -0.7479971051216125, -0.8505814671516418, -0.7429802417755127, -0.635141909122467, -0.6657761335372925, -0.6471603512763977, -0.6995026469230652]}
{"epoch": 126, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3004, "mean_sigma": 0.025294039398431778, "spearman_rho": 0.9820450552943027, "tau": -0.3756156206130981, "elapsed_sec": 90.31550073623657, "epoch_fa_scores": [-0.3982514441013336, -0.3960871398448944, -0.4063548743724823, -0.5160353779792786, -0.626767098903656, -0.5417994856834412, -0.5792216062545776, -0.23692657053470612, -0.2973921000957489, -0.28214871883392334, -0.32177242636680603, -0.3228362798690796, -0.4416663646697998, -0.354065477848053, -0.6755838394165039, -0.5285406708717346, -0.5377460718154907, -0.6847174763679504, -0.7717658281326294, -0.5623286366462708, -0.4530489146709442, -0.39406052231788635, -0.41781529784202576, -0.4630216360092163, -0.4613356292247772]}
{"epoch": 127, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3029, "mean_sigma": 0.03320920467376709, "spearman_rho": 0.9773048606596568, "tau": -0.3759604156017303, "elapsed_sec": 88.95613694190979, "epoch_fa_scores": [-0.37716636061668396, -0.32214176654815674, -0.3940509855747223, -0.34013301134109497, -0.4062129557132721, -0.4621978998184204, -0.26916295289993286, -0.46571993827819824, -0.5240445733070374, -0.5437080264091492, -0.40529865026474, -0.5866388082504272, -0.5541467070579529, -0.6911116242408752, -0.7797396779060364, -0.6829039454460144, -0.7470574975013733, -0.7766615748405457, -0.963560938835144, -0.7769291996955872, -0.8016468286514282, -0.8828449249267578, -0.8131418228149414, -0.802441418170929, -0.9683305025100708]}
{"epoch": 128, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3036, "mean_sigma": 0.023238835856318474, "spearman_rho": 0.9853948180713497, "tau": -0.37578219175338745, "elapsed_sec": 94.19733214378357, "epoch_fa_scores": [-0.33890628814697266, -0.33659350872039795, -0.456964373588562, -0.7192766070365906, -0.6547248959541321, -0.43703946471214294, -0.49754950404167175]}
{"epoch": 129, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3061, "mean_sigma": 0.032347358763217926, "spearman_rho": 0.9842300129571285, "tau": -0.375374972820282, "elapsed_sec": 92.36443591117859, "epoch_fa_scores": [-0.0810951292514801, -0.27307623624801636, -0.2625536620616913, -0.23403732478618622, -0.32085731625556946, -0.2544432580471039, -0.3750794231891632, -0.4620586335659027, -0.6256969571113586, -0.5744199752807617, -0.7189493775367737, -0.9075796008110046, -0.8040644526481628, -0.806171715259552, -0.7249600887298584, -0.5982263684272766, -0.7875449657440186, -1.076002597808838, -0.8006985187530518, -0.7410394549369812, -0.8344048261642456, -1.1058424711227417, -0.7781720161437988, -0.8714943528175354, -0.7627577781677246]}
{"epoch": 130, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3073, "mean_sigma": 0.009551776573061943, "spearman_rho": 0.9566072037203257, "tau": -0.37517519593238824, "elapsed_sec": 96.60536551475525, "epoch_fa_scores": [-0.10851160436868668, -0.3936977982521057, -0.34088727831840515, -0.5324991345405579, -0.42325910925865173, -0.45128029584884644, -0.5646920204162598, -0.5108687877655029, -0.5427650809288025, -0.6621547341346741, -0.1670808345079422, -0.3235743045806885]}
{"epoch": 131, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3098, "mean_sigma": 0.05756782740354538, "spearman_rho": 0.9791141193496633, "tau": -0.37448822259902953, "elapsed_sec": 93.99788522720337, "epoch_fa_scores": [-0.3481675982475281, -0.3681435286998749, -0.39270755648612976, -0.3940500020980835, -0.44358810782432556, -0.46236100792884827, -0.45847824215888977, -0.2949259877204895, -0.2713872194290161, -0.3106469511985779, -0.3516048192977905, -0.3223239481449127, -0.38047611713409424, -0.23808272182941437, -0.30352142453193665, -0.2808097004890442, -0.34504541754722595, -0.5500339269638062, -0.5789485573768616, -0.6169143319129944, -0.6238163709640503, -0.48267361521720886, -0.4072364866733551, -0.6047725081443787, -0.4951653480529785]}
{"epoch": 132, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3123, "mean_sigma": 0.04426221922039986, "spearman_rho": 0.9791322117830945, "tau": -0.3750959813594818, "elapsed_sec": 95.05780863761902, "epoch_fa_scores": [-0.7106695771217346, -0.7571606040000916, -0.7086278796195984, -0.7891486883163452, -0.8691888451576233, -0.7579712271690369, -0.818701982498169, -0.9265390634536743, -0.7749419212341309, -0.8805750608444214, -1.0080126523971558, -0.6545556783676147, -0.8391410112380981, -0.7535539269447327, -0.9442617893218994, -0.8442829251289368, -0.7123950719833374, -0.8191133141517639, -0.8121617436408997, -0.8134018778800964, -0.732013463973999, -0.8377923965454102, -0.7063596844673157, -0.8211386203765869, -0.7305862903594971]}
{"epoch": 133, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3148, "mean_sigma": 0.052605219185352325, "spearman_rho": 0.9794889271099532, "tau": -0.37509084939956666, "elapsed_sec": 94.35850667953491, "epoch_fa_scores": [-0.867409884929657, -0.8999844789505005, -0.9015567898750305, -0.8517606258392334, -0.9076446890830994, -0.9195512533187866, -0.8849415183067322, -0.9733905792236328, -0.3658120930194855, -0.38603153824806213, -0.32936719059944153, -0.347744345664978, -0.3611260950565338, -0.34966176748275757, -0.3960746228694916, -0.3883775472640991, -0.3692285418510437, -0.40008190274238586, -0.4613317549228668, -0.4564569890499115, -0.509881317615509, -0.4569697380065918, -0.5340128540992737, -0.708858847618103, -0.603047251701355]}
{"epoch": 134, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3173, "mean_sigma": 0.028902536258101463, "spearman_rho": 0.9788623644328367, "tau": -0.37517519593238824, "elapsed_sec": 95.62827587127686, "epoch_fa_scores": [-0.4861625134944916, -0.5547724962234497, -0.5938718914985657, -0.5801084041595459, -0.685455322265625, -0.7974499464035034, -0.897760808467865, -0.8800297975540161, -0.6250675916671753, -0.8246045112609863, -0.8302702903747559, -0.6861317157745361, -0.6733683347702026, -0.6992489695549011, -0.3255688548088074, -0.3297680914402008, -0.48257115483283997, -0.4712570011615753, -0.5269875526428223, -0.5574552416801453, -0.6330722570419312, -0.6906459927558899, -0.37049368023872375, -0.4612082839012146, -0.45608630776405334]}
{"epoch": 135, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3198, "mean_sigma": 0.032909490168094635, "spearman_rho": 0.9807686024028919, "tau": -0.37577850818634034, "elapsed_sec": 96.34768295288086, "epoch_fa_scores": [-0.6712809205055237, -0.831883430480957, -0.5875653624534607, -0.7195180058479309, -0.6067543029785156, -0.7858145236968994, -0.8010183572769165, -0.7155119180679321, -0.2957172691822052, -0.4236779808998108, -0.7631983160972595, -0.7830024361610413, -0.6514901518821716, -0.8228566646575928, -0.39635640382766724, -0.4085990786552429, -0.523159921169281, -0.5267900228500366, -0.6282439231872559, -0.5331125259399414, -0.320753812789917, -0.6317762732505798, -0.644681990146637, -0.6520237326622009, -0.7433590888977051]}
{"epoch": 136, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3223, "mean_sigma": 0.027891015633940697, "spearman_rho": 0.9785932657033934, "tau": -0.3763339817523956, "elapsed_sec": 93.44727492332458, "epoch_fa_scores": [-0.49767160415649414, -0.6156154870986938, -0.697711169719696, -0.6505404710769653, -0.6771094799041748, -0.857647180557251, -0.7699658274650574, -0.6670582294464111, -0.431330144405365, -0.5091654062271118, -0.4653067886829376, -0.600612461566925, -0.52857506275177, -0.5547409653663635, -0.5540540814399719, -0.46180474758148193, -0.5245559811592102, -0.6042816638946533, -0.6377531290054321, -0.7677111625671387, -0.69593346118927, -0.763323962688446, -0.34816068410873413, -0.39139845967292786, -0.4854777455329895]}
{"epoch": 137, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3245, "mean_sigma": 0.02678568661212921, "spearman_rho": 0.9812232909211134, "tau": -0.37569583654403677, "elapsed_sec": 91.14137744903564, "epoch_fa_scores": [-0.4236810803413391, -0.4569799304008484, -0.4341558516025543, -0.4446108639240265, -0.4146888256072998, -0.45336878299713135, -0.25899359583854675, -0.2724207639694214, -0.2782444357872009, -0.43438833951950073, -0.3952508270740509, -0.13338446617126465, -0.22532816231250763, -0.3840065896511078, -0.21082741022109985, -0.17835552990436554, -0.2552575170993805, -0.30934756994247437, -0.45769208669662476, -0.4869438707828522, -0.4341794550418854, -0.45979711413383484]}
{"epoch": 138, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3270, "mean_sigma": 0.04492615908384323, "spearman_rho": 0.9817243804111466, "tau": -0.37611427903175354, "elapsed_sec": 97.08253169059753, "epoch_fa_scores": [-0.20730388164520264, -0.3716268241405487, -0.5536949038505554, -0.4573526382446289, -0.4658409357070923, -0.4590498208999634, -0.5228593349456787, -0.4164903461933136, -0.39389750361442566, -0.4750683903694153, -0.6104812026023865, -0.4706299304962158, -0.5508877635002136, -0.5439682006835938, -0.41915634274482727, -0.8078306317329407, -0.6344177722930908, -0.7873451709747314, -0.8497327566146851, -0.8405898213386536, -1.0040327310562134, -0.8174718618392944, -0.7753819227218628, -0.8202650547027588, -0.9477804899215698]}
{"epoch": 139, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3294, "mean_sigma": 0.05582890659570694, "spearman_rho": 0.9800632663426764, "tau": -0.37656840085983273, "elapsed_sec": 95.27759718894958, "epoch_fa_scores": [-0.43005311489105225, -0.4584687650203705, -0.5151405930519104, -0.5172550678253174, -0.5316841006278992, -0.5296672582626343, -0.6471372842788696, -0.9401750564575195, -1.0935367345809937, -1.0554172992706299, -1.1219061613082886, -1.328689455986023, -1.4270045757293701, -0.8445347547531128, -0.8357399702072144, -0.8808135390281677, -0.9085018634796143, -0.9990947246551514, -0.9274001121520996, -0.9000074863433838, -1.5510741472244263, -1.621476411819458, -1.6824402809143066, -1.6964796781539917]}
{"epoch": 140, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3319, "mean_sigma": 0.01801127754151821, "spearman_rho": 0.9809578158769088, "tau": -0.37656840085983273, "elapsed_sec": 95.72413182258606, "epoch_fa_scores": [-0.25209513306617737, -0.3190191984176636, -0.4916018843650818, -0.6497451663017273, -0.7080379128456116, -0.7684335112571716, -0.9186896681785583, -0.6514054536819458, -0.7507514953613281, -0.8887036442756653, -0.8451513648033142, -0.8503670692443848, -0.9088712930679321, -0.9841358065605164, -0.5961748361587524, -0.6493538618087769, -0.6404137015342712, -0.6241247653961182, -0.737898588180542, -0.5857982635498047, -0.8009926676750183, -0.5718882083892822, -0.18355002999305725, -0.3362521827220917, -0.32907578349113464]}
{"epoch": 141, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3344, "mean_sigma": 0.03202637657523155, "spearman_rho": 0.9766861439806446, "tau": -0.37656840085983273, "elapsed_sec": 98.35691142082214, "epoch_fa_scores": [-1.4360218048095703, -1.683964490890503, -1.4706346988677979, -1.4634194374084473, -1.6824239492416382, -0.11116586625576019, -0.26512694358825684, -0.2950515151023865, -0.33784550428390503, -0.4395514130592346, -0.4598468244075775, -0.6116384863853455, -0.6746032238006592, -0.8499515652656555, -0.7394999265670776, -0.794326901435852, -0.814094603061676, -0.7936295866966248, -0.4003758430480957, -0.414262592792511, -0.34106752276420593, -0.47832879424095154, -0.5426748991012573, -0.5411145091056824, -0.7567262053489685]}
{"epoch": 142, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3369, "mean_sigma": 0.06727013736963272, "spearman_rho": 0.9791712794825453, "tau": -0.3771318137645721, "elapsed_sec": 98.82675790786743, "epoch_fa_scores": [-0.7188609838485718, -0.7771387100219727, -0.9830759167671204, -0.915463924407959, -0.7704088091850281, -0.7785583138465881, -0.8913641571998596, -0.37566038966178894, -0.4899679720401764, -0.43669307231903076, -0.39077305793762207, -0.532314121723175, -0.4162987470626831, -0.5132036805152893, -0.6332238912582397, -0.7241697907447815, -0.7809492945671082, -0.6722239255905151, -0.7347058057785034, -0.7979731559753418, -0.8074029684066772, -0.8565340638160706, -0.9149619340896606, -0.9041876792907715, -1.0629507303237915]}
{"epoch": 143, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3394, "mean_sigma": 0.045311298221349716, "spearman_rho": 0.980865586830345, "tau": -0.37701762318611143, "elapsed_sec": 92.01256060600281, "epoch_fa_scores": [-0.28042271733283997, -0.39556965231895447, -0.445748507976532, -0.3924967348575592, -0.4086197018623352, -0.4660535752773285, -0.454581618309021, -0.372091680765152, -0.44231298565864563, -0.6813592314720154, -0.7281707525253296, -0.6802175641059875, -0.8092266321182251, -0.8430944085121155, -0.8440224528312683, -0.27275925874710083, -0.3449160158634186, -0.3467711806297302, -0.34956806898117065, -0.4171670973300934, -0.4355950355529785, -0.4638565480709076, -0.5136553645133972, -0.5970575213432312, -0.7463874816894531]}
{"epoch": 144, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3402, "mean_sigma": 0.014108115807175636, "spearman_rho": 0.9794301863141102, "tau": -0.3766264975070953, "elapsed_sec": 96.64731955528259, "epoch_fa_scores": [-0.5959562659263611, -0.6756134629249573, -0.46394240856170654, -0.4086451530456543, -0.28426992893218994, -0.33894988894462585, -0.22251468896865845, -0.3451278507709503]}
{"epoch": 145, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3427, "mean_sigma": 0.04351775720715523, "spearman_rho": 0.9812064248661841, "tau": -0.3766264975070953, "elapsed_sec": 96.22405052185059, "epoch_fa_scores": [-0.2737591564655304, -0.34898850321769714, -0.32246533036231995, -0.34649166464805603, -0.4618414044380188, -0.3892563283443451, -0.8315090537071228, -0.7219232320785522, -0.9187495112419128, -0.8198439478874207, -0.8161132335662842, -0.23266203701496124, -0.39992016553878784, -0.40627533197402954, -0.42982643842697144, -0.47977545857429504, -0.46376362442970276, -0.5081527233123779, -0.4797895848751068, -0.7927948832511902, -0.81386399269104, -0.8467984199523926, -1.098482608795166, -0.9581425786018372, -0.8811026811599731]}
{"epoch": 146, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3450, "mean_sigma": 0.040596090257167816, "spearman_rho": 0.9803859494633348, "tau": -0.37658340930938716, "elapsed_sec": 97.0764811038971, "epoch_fa_scores": [-0.3748480975627899, -0.4224393367767334, -0.34840336441993713, -0.3439313471317291, -0.6641401648521423, -0.7573326826095581, -0.6726135611534119, -0.7760348320007324, -0.8023808002471924, -0.4611954689025879, -0.3480696976184845, -0.46648475527763367, -0.374491810798645, -0.4331241548061371, -0.3914172351360321, -0.3807985186576843, -0.8311181664466858, -0.9532924294471741, -0.8887182474136353, -1.021389365196228, -0.8671541810035706, -0.90859055519104, -1.155966877937317]}
{"epoch": 147, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3474, "mean_sigma": 0.03711065649986267, "spearman_rho": 0.981402554775473, "tau": -0.3771673083305359, "elapsed_sec": 98.49278831481934, "epoch_fa_scores": [-0.44587042927742004, -0.4458007514476776, -0.45629703998565674, -0.601925790309906, -0.5113069415092468, -0.6437559723854065, -0.5079134702682495, -0.6950369477272034, -1.6437352895736694, -1.6154670715332031, -1.6708053350448608, -1.671392798423767, -1.4193674325942993, -1.6234548091888428, -1.5614228248596191, -1.5124260187149048, -1.6901631355285645, -0.6693025827407837, -0.7344913482666016, -0.7193284034729004, -0.8526149392127991, -0.8225210309028625, -0.7358689904212952, -0.7507874965667725]}
{"epoch": 148, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3499, "mean_sigma": 0.018529508262872696, "spearman_rho": 0.984254815152634, "tau": -0.3764902353286743, "elapsed_sec": 98.14394307136536, "epoch_fa_scores": [-0.5495900511741638, -0.7275583744049072, -0.6026073694229126, -0.6685605645179749, -0.5874760746955872, -0.6726135611534119, -0.34357601404190063, -0.3940508961677551, -0.4072309136390686, -0.4464162290096283, -0.39853107929229736, -0.44722339510917664, -0.3924095034599304, -0.4165390729904175, -0.20802269876003265, -0.27275702357292175, -0.20957767963409424, -0.3318101465702057, -0.35182270407676697, -0.18347688019275665, -0.29660043120384216, -0.27233439683914185, -0.34815624356269836, -0.3536543846130371, -0.4021623134613037]}
{"epoch": 149, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3524, "mean_sigma": 0.02508043870329857, "spearman_rho": 0.9808399120881032, "tau": -0.37656840085983273, "elapsed_sec": 98.70937490463257, "epoch_fa_scores": [-0.34304970502853394, -0.38856634497642517, -0.39732179045677185, -0.45788004994392395, -0.5277236104011536, -0.7650023698806763, -0.7705108523368835, -0.34562018513679504, -0.47418415546417236, -0.55447918176651, -0.5724800825119019, -0.5931281447410583, -0.5830674767494202, -0.6384339332580566, -0.6426495313644409, -0.31794098019599915, -0.45586133003234863, -0.5011181235313416, -0.46880075335502625, -0.5867547392845154, -0.6228694319725037, -0.35018861293792725, -0.45695844292640686, -0.3913976848125458, -0.4993639886379242]}
{"epoch": 150, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3549, "mean_sigma": 0.04230520874261856, "spearman_rho": 0.9801124944898895, "tau": -0.37701762318611143, "elapsed_sec": 93.67700910568237, "epoch_fa_scores": [-1.484393835067749, -1.4354755878448486, -1.780452013015747, -1.730137586593628, -1.5278706550598145, -1.6238576173782349, -0.33305928111076355, -0.3165481984615326, -0.3940780758857727, -0.46958866715431213, -0.46084272861480713, -0.5458246469497681, -0.4713857173919678, -0.5009533762931824, -0.7729890942573547, -0.6869091391563416, -0.6907874941825867, -0.7496740818023682, -0.8029801845550537, -0.8368679285049438, -0.8446556329727173, -0.6982660293579102, -0.6957041621208191, -1.1953792572021484, -1.2932127714157104]}
{"epoch": 151, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3574, "mean_sigma": 0.038265302777290344, "spearman_rho": 0.9776820420498755, "tau": -0.3774257659912109, "elapsed_sec": 94.51719808578491, "epoch_fa_scores": [-0.37783733010292053, -0.4470667839050293, -0.4518279731273651, -0.6466227173805237, -0.7120761275291443, -0.6599559187889099, -0.8068699240684509, -0.7360494136810303, -1.1110748052597046, -1.3372929096221924, -1.3829830884933472, -1.6768964529037476, -1.4089914560317993, -0.5549392700195312, -0.48139476776123047, -0.47135329246520996, -0.5296818017959595, -0.704463541507721, -0.6831695437431335, -0.8153723478317261, -0.7981178760528564, -0.37508928775787354, -0.39887532591819763, -0.3923991024494171, -0.45845896005630493]}
{"epoch": 152, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3598, "mean_sigma": 0.031079281121492386, "spearman_rho": 0.9751502407365907, "tau": -0.3776932954788207, "elapsed_sec": 101.21335673332214, "epoch_fa_scores": [-1.375786542892456, -1.6991536617279053, -1.6817761659622192, -1.69625985622406, -0.6832947731018066, -0.693870484828949, -0.725030243396759, -0.7990946769714355, -0.8126358389854431, -0.8788216710090637, -0.7872141599655151, -0.2937833070755005, -0.37803852558135986, -0.396018385887146, -0.4908171594142914, -0.4585411846637726, -0.5502935647964478, -0.3504442274570465, -0.39140185713768005, -0.4394872188568115, -0.4552483856678009, -0.4734087586402893, -0.5488623976707458, -0.5148046612739563]}
{"epoch": 153, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3623, "mean_sigma": 0.05877330154180527, "spearman_rho": 0.9798783538717385, "tau": -0.3776932954788207, "elapsed_sec": 106.11915707588196, "epoch_fa_scores": [-0.9311959743499756, -0.7780089974403381, -0.9974225759506226, -0.7952650189399719, -0.8908483982086182, -1.0135728120803833, -0.769580602645874, -0.443546861410141, -0.4902675151824951, -0.5681896209716797, -0.5310194492340088, -0.6001399755477905, -0.5902084112167358, -0.706297755241394, -0.690463662147522, -0.25246119499206543, -0.293777197599411, -0.3286576569080353, -0.392251580953598, -0.3593469262123108, -0.3631172776222229, -0.4825631082057953, -0.39140698313713074, -0.7355582118034363, -0.8118129372596741]}
{"epoch": 154, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3647, "mean_sigma": 0.03318207710981369, "spearman_rho": 0.9748509447899063, "tau": -0.3775761842727661, "elapsed_sec": 101.45630049705505, "epoch_fa_scores": [-0.35432949662208557, -0.29748308658599854, -0.3427288830280304, -0.39127224683761597, -0.3404637575149536, -0.5957247018814087, -0.6513820886611938, -0.6007391214370728, -0.6727704405784607, -0.765007734298706, -0.9467214941978455, -0.8714434504508972, -0.7714809775352478, -0.37200015783309937, -0.26956599950790405, -0.2981468737125397, -0.39628884196281433, -0.7867081165313721, -0.7878038883209229, -0.8626375794410706, -0.8816580176353455, -0.8961005806922913, -0.9172426462173462, -0.838046669960022]}
{"epoch": 155, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3672, "mean_sigma": 0.043975748121738434, "spearman_rho": 0.9801791933843578, "tau": -0.3775761842727661, "elapsed_sec": 95.89122581481934, "epoch_fa_scores": [-0.22786879539489746, -0.07811299711465836, -0.18454788625240326, -0.4552079439163208, -0.35540714859962463, -0.3404599130153656, -0.7057308554649353, -0.8247277140617371, -0.860855758190155, -0.9179425835609436, -0.8871495127677917, -0.8705136775970459, -1.0767440795898438, -0.9663742184638977, -0.55035400390625, -0.5764190554618835, -0.9121963381767273, -0.8452882766723633, -0.8964300155639648, -0.8444955348968506, -0.9623571038246155, -0.9559411406517029, -0.6076837182044983, -0.644292414188385, -0.70134037733078]}
{"epoch": 156, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3697, "mean_sigma": 0.05067240819334984, "spearman_rho": 0.9796650122638607, "tau": -0.37717531323432923, "elapsed_sec": 97.46956849098206, "epoch_fa_scores": [-0.3147062063217163, -0.3176394999027252, -0.39401185512542725, -0.36223921179771423, -0.4931785464286804, -0.5186610221862793, -0.589072585105896, -0.6909213662147522, -0.594321072101593, -0.7172621488571167, -0.727413535118103, -0.7776448726654053, -0.7352391481399536, -0.3995170295238495, -0.33464983105659485, -0.3667268753051758, -0.26771947741508484, -0.36110782623291016, -0.46083810925483704, -0.47849681973457336, -0.4642120599746704, -1.0357003211975098, -1.1442065238952637, -1.5341089963912964, -1.6012139320373535]}
{"epoch": 157, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3722, "mean_sigma": 0.05116450786590576, "spearman_rho": 0.9840235971669217, "tau": -0.377278459072113, "elapsed_sec": 100.97160363197327, "epoch_fa_scores": [-0.3179897964000702, -0.38779041171073914, -0.39327287673950195, -0.3369947671890259, -0.37391412258148193, -0.4864296317100525, -0.4489229619503021, -0.44357433915138245, -0.3459211587905884, -0.3914042115211487, -0.4613177180290222, -0.4852663278579712, -0.5307187438011169, -0.432993620634079, -0.7883151173591614, -0.7925997376441956, -0.8981120586395264, -0.857841432094574, -0.8743595480918884, -0.9778830409049988, -0.9647553563117981, -1.1015876531600952, -1.369505524635315, -1.3961347341537476, -1.372084140777588]}
{"epoch": 158, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3730, "mean_sigma": 0.0409022718667984, "spearman_rho": 0.9794527562641381, "tau": -0.37749941945075977, "elapsed_sec": 98.61531662940979, "epoch_fa_scores": [-0.7595337629318237, -0.9979689717292786, -0.33604779839515686, -0.5154762268066406, -0.7065955996513367, -0.7761715054512024, -0.3897218406200409, -0.4197903573513031]}
{"epoch": 159, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3755, "mean_sigma": 0.015641259029507637, "spearman_rho": 0.9780677283611308, "tau": -0.3777893185615539, "elapsed_sec": 95.95203518867493, "epoch_fa_scores": [-0.3979262113571167, -0.5545575022697449, -0.45857882499694824, -0.5278103351593018, -0.5271199345588684, -0.6985927820205688, -0.5329089164733887, -0.43042686581611633, -0.4315882921218872, -0.4022890627384186, -0.47515711188316345, -0.5804429650306702, -0.5744991898536682, -0.8251656293869019, -0.6629875302314758, -0.7298401594161987, -0.7584773898124695, -0.7505559921264648, -0.7394228577613831, -0.8406364321708679, -0.8912538290023804, -0.3481234014034271, -0.3744756579399109, -0.4869312644004822, -0.5542683005332947]}
{"epoch": 160, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3780, "mean_sigma": 0.03053908795118332, "spearman_rho": 0.9804477787816201, "tau": -0.3784089505672455, "elapsed_sec": 101.39072060585022, "epoch_fa_scores": [-0.3905458152294159, -0.5011336803436279, -0.5387555360794067, -0.5330693125724792, -0.8257625102996826, -0.845573365688324, -0.8313239812850952, -0.8792776465415955, -1.1510041952133179, -1.343323826789856, -1.3988125324249268, -1.5620638132095337, -1.5867072343826294, -0.5025142431259155, -0.4245196282863617, -0.5838660597801208, -0.4644854664802551, -0.4869396388530731, -0.5546045899391174, -0.6409337520599365, -0.35111042857170105, -0.4329051971435547, -0.5070083737373352, -0.540574848651886, -0.6538658142089844]}
{"epoch": 161, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3802, "mean_sigma": 0.016307590529322624, "spearman_rho": 0.9782332778198959, "tau": -0.378109449148178, "elapsed_sec": 102.19446063041687, "epoch_fa_scores": [-1.1399164199829102, -1.293692946434021, -1.3269518613815308, -1.3496419191360474, -1.551932454109192, -0.6313499212265015, -0.7597085237503052, -0.7220191359519958, -0.8115745186805725, -0.7911506295204163, -0.900458574295044, -0.8945199847221375, -0.8382898569107056, -0.278798371553421, -0.273747056722641, -0.2829643189907074, -0.341681569814682, -0.4363732635974884, -0.4072781801223755, -0.40131452679634094, -0.2940504252910614, -0.3545897901058197]}
{"epoch": 162, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3810, "mean_sigma": 0.01607312448322773, "spearman_rho": 0.9768949544870132, "tau": -0.3777893185615539, "elapsed_sec": 102.25857782363892, "epoch_fa_scores": [-0.3577531576156616, -0.3611268699169159, -0.9846543073654175, -0.9399652481079102, -0.39644476771354675, -0.5569322109222412, -0.33044886589050293, -0.37660863995552063]}
{"epoch": 163, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3835, "mean_sigma": 0.020551390945911407, "spearman_rho": 0.9799648825688577, "tau": -0.37758551836013793, "elapsed_sec": 100.91447281837463, "epoch_fa_scores": [-0.747616708278656, -1.0171189308166504, -0.9191171526908875, -1.0557551383972168, -1.0322928428649902, -1.3816038370132446, -1.0201951265335083, -0.3683381974697113, -0.4230766296386719, -0.6725701689720154, -0.6771988868713379, -0.7532311677932739, -0.9200661778450012, -0.2540341019630432, -0.24230895936489105, -0.34271466732025146, -0.3534800410270691, -0.33876338601112366, -0.43749892711639404, -0.3261101245880127, -0.44741591811180115, -0.5161404609680176, -0.6090385317802429, -0.6171686053276062, -0.6451155543327332]}
{"epoch": 164, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3860, "mean_sigma": 0.013809280470013618, "spearman_rho": 0.9767486990673392, "tau": -0.37660659551620485, "elapsed_sec": 104.57657051086426, "epoch_fa_scores": [-0.27698859572410583, -0.37046122550964355, -0.3451355993747711, -0.428943932056427, -0.33720386028289795, -0.4028488099575043, -0.3813851475715637, -0.3727380931377411, -0.1265963762998581, -0.2539689540863037, -0.20683246850967407, -0.3563501238822937, -0.38927382230758667, -0.4085509479045868, -0.299729585647583, -0.3979395627975464, -0.35236042737960815, -0.3983113169670105, -0.407211035490036, -0.43148958683013916, -0.45846858620643616, -0.3426899313926697, -0.31638023257255554, -0.42197686433792114, -0.4639471173286438]}
{"epoch": 165, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3885, "mean_sigma": 0.04699739068746567, "spearman_rho": 0.979101379218402, "tau": -0.37704880833625787, "elapsed_sec": 106.57380318641663, "epoch_fa_scores": [-0.35879114270210266, -0.4727329909801483, -0.3940662145614624, -0.3967403769493103, -0.4149031639099121, -0.4777734875679016, -0.544851541519165, -0.6589704155921936, -0.6882465481758118, -0.7105550169944763, -0.7858230471611023, -0.8329746723175049, -0.7695824503898621, -0.7502625584602356, -0.8480067253112793, -0.6563194990158081, -0.7959733009338379, -0.7873461246490479, -0.788443386554718, -0.936375617980957, -0.8428336977958679, -0.7870523929595947, -0.9342582821846008, -0.3912477493286133, -0.36112672090530396]}
{"epoch": 166, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3910, "mean_sigma": 0.07513710111379623, "spearman_rho": 0.9757355111115781, "tau": -0.37704880833625787, "elapsed_sec": 105.19172978401184, "epoch_fa_scores": [-0.5368607640266418, -0.6482886075973511, -0.6934070587158203, -0.8238909244537354, -0.7103610038757324, -0.8103101849555969, -0.8959360718727112, -0.7826493382453918, -0.20807766914367676, -0.2583679258823395, -0.26202863454818726, -0.2950371503829956, -0.3506450355052948, -0.41365909576416016, -0.3914087414741516, -0.5561709403991699, -0.4515828788280487, -0.5185865759849548, -0.5733107328414917, -0.6120877265930176, -0.6297942399978638, -0.6319729685783386, -0.6499375700950623, -1.644097089767456, -1.6077663898468018]}
{"epoch": 167, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3931, "mean_sigma": 0.06809761375188828, "spearman_rho": 0.9749823893814159, "tau": -0.3770799934864044, "elapsed_sec": 119.8193895816803, "epoch_fa_scores": [-0.3122768700122833, -0.4608477056026459, -0.41726207733154297, -0.45553556084632874, -0.6497172117233276, -0.3480541408061981, -0.7449504733085632, -0.806641697883606, -0.8800531625747681, -0.8401513695716858, -0.8655034303665161, -0.8954838514328003, -0.9540583491325378, -0.3863358795642853, -0.4629414677619934, -0.3577924072742462, -0.36300432682037354, -0.5086601376533508, -1.577288031578064, -1.6238230466842651, -1.6986615657806396]}
{"epoch": 168, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3950, "mean_sigma": 0.02441485971212387, "spearman_rho": 0.9774926295851046, "tau": -0.37704880833625787, "elapsed_sec": 102.92469191551208, "epoch_fa_scores": [-0.6742883324623108, -0.2821541130542755, -0.3297484815120697, -0.3913910686969757, -0.39979615807533264, -0.4499993324279785, -0.3480091094970703, -0.4905703067779541, -0.4191954731941223, -0.6234444379806519, -0.5337545871734619, -0.3613901734352112, -0.5859430432319641, -0.38543903827667236, -0.5156938433647156, -0.5330725908279419, -0.6091213226318359, -0.5893886685371399, -0.573991596698761]}
{"epoch": 169, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 3975, "mean_sigma": 0.027580086141824722, "spearman_rho": 0.9751336785270174, "tau": -0.377149087190628, "elapsed_sec": 101.81256175041199, "epoch_fa_scores": [-0.25298938155174255, -0.3640086054801941, -0.2842785716056824, -0.32569682598114014, -0.48507431149482727, -0.4000743329524994, -0.41724082827568054, -0.45846617221832275, -0.8497329950332642, -0.7863601446151733, -0.8613234758377075, -0.8872906565666199, -0.8852485418319702, -0.9319689869880676, -0.9628440737724304, -0.9495077729225159, -0.7020667195320129, -0.7748135328292847, -0.7780796885490417, -0.7775436639785767, -0.8657999634742737, -0.8682547211647034, -0.8908350467681885, -0.5004064440727234, -0.6319016218185425]}
{"epoch": 170, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 4000, "mean_sigma": 0.011379197239875793, "spearman_rho": 0.9836623161701281, "tau": -0.37749941945075977, "elapsed_sec": 106.04786252975464, "epoch_fa_scores": [-0.5523673295974731, -0.5634652376174927, -0.4280092716217041, -0.6104198694229126, -0.6038596630096436, -0.7683897018432617, -0.6982461810112, -0.7517001628875732, -0.7088695764541626, -0.7699405550956726, -0.8395785093307495, -0.8526951670646667, -0.75959712266922, -0.7006726264953613, -0.7302637696266174, -0.7344399094581604, -0.8652472496032715, -0.8341386914253235, -0.9558315277099609, -0.9874201416969299, -0.38715678453445435, -0.2713785469532013, -0.4208952784538269, -0.34652242064476013, -0.4507715404033661]}
{"epoch": 171, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 4025, "mean_sigma": 0.029143119230866432, "spearman_rho": 0.9770959670230569, "tau": -0.37799828648567196, "elapsed_sec": 107.66872382164001, "epoch_fa_scores": [-0.3879724144935608, -0.4153691828250885, -0.4649571478366852, -0.5237563252449036, -0.5312008261680603, -0.6072505116462708, -0.6126772165298462, -0.37139368057250977, -0.39826345443725586, -0.40785184502601624, -0.45853251218795776, -0.44666266441345215, -0.5681980848312378, -0.4358920753002167, -0.46770042181015015, -0.5268215537071228, -0.5550245046615601, -0.6710577011108398, -0.5939390063285828, -0.509111225605011, -0.5054230093955994, -0.776746392250061, -0.7832804322242737, -0.7665978074073792, -0.6705533266067505]}
{"epoch": 172, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 4033, "mean_sigma": 0.03713058680295944, "spearman_rho": 0.9806340664861276, "tau": -0.37791780829429616, "elapsed_sec": 103.98370909690857, "epoch_fa_scores": [-0.281953364610672, -0.303371787071228, -0.4489513635635376, -0.6437997221946716, -0.4164430797100067, -0.39240455627441406, -0.7034172415733337, -0.8450818061828613]}
{"epoch": 173, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 4058, "mean_sigma": 0.02053026109933853, "spearman_rho": 0.9782159745593728, "tau": -0.3768129169940948, "elapsed_sec": 102.32686495780945, "epoch_fa_scores": [-0.4639783501625061, -0.41069889068603516, -0.4106951057910919, -0.5145926475524902, -0.42841118574142456, -0.4122699499130249, -0.6816480159759521, -0.4941214323043823, -0.7914907932281494, -0.21311762928962708, -0.31686538457870483, -0.344031423330307, -0.2808060050010681, -0.36542877554893494, -0.3282867968082428, -0.41277340054512024, -0.38374683260917664, -0.02321608178317547, -0.07256565988063812, -0.12531520426273346, -0.19340430200099945, -0.3184170126914978, -0.29567471146583557, -0.3112882673740387, -0.2048145830631256]}
{"epoch": 174, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 4083, "mean_sigma": 0.039357587695121765, "spearman_rho": 0.9783283862005507, "tau": -0.37735211253166184, "elapsed_sec": 103.48545408248901, "epoch_fa_scores": [-0.5153986215591431, -0.5325396656990051, -0.6094238758087158, -0.4553874731063843, -0.540394127368927, -0.5314759016036987, -0.6004961133003235, -0.6734314560890198, -0.39651593565940857, -0.6778748631477356, -0.7734803557395935, -0.7235185503959656, -0.783552348613739, -0.9005336165428162, -0.8287782073020935, -0.707262396812439, -0.7244009971618652, -0.64584881067276, -0.7032002210617065, -0.6439005732536316, -0.7254026532173157, -0.7426613569259644, -0.936286449432373, -0.46083909273147583, -0.5851247310638428]}
{"epoch": 175, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 4108, "mean_sigma": 0.025553423911333084, "spearman_rho": 0.9778428620147817, "tau": -0.37791780829429616, "elapsed_sec": 108.33343696594238, "epoch_fa_scores": [-0.5064728856086731, -0.7329833507537842, -0.7465011477470398, -0.7758106589317322, -0.9162459373474121, -0.8666957020759583, -0.7180136442184448, -0.36111608147621155, -0.3932438790798187, -0.41714054346084595, -0.530066192150116, -0.7515603303909302, -0.7561992406845093, -0.6255686283111572, -0.6910206079483032, -1.1463525295257568, -1.6805559396743774, -1.6986591815948486, -1.5597572326660156, -1.7726142406463623, -0.6622446179389954, -0.7641012668609619, -0.8126764297485352, -0.7469192743301392, -0.7345892786979675]}
{"epoch": 176, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 4133, "mean_sigma": 0.03777129203081131, "spearman_rho": 0.9799825387760562, "tau": -0.3776932954788207, "elapsed_sec": 104.88781571388245, "epoch_fa_scores": [-0.7266848683357239, -0.8184893131256104, -0.8215312361717224, -0.7396278381347656, -0.9303964376449585, -0.9030186533927917, -0.9029032588005066, -0.9890497326850891, -0.3293463885784149, -0.4539060592651367, -0.35546791553497314, -0.4343167543411255, -0.38492730259895325, -0.4520084857940674, -0.6272873282432556, 0.013600382953882217, -0.0635993629693985, -0.048170845955610275, -0.021649722009897232, -0.41613033413887024, -0.6080861687660217, -0.5949279069900513, -0.4423043429851532, -0.43467968702316284, -0.5242244005203247]}
{"epoch": 177, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 4158, "mean_sigma": 0.026093866676092148, "spearman_rho": 0.9818868840355496, "tau": -0.3783946692943573, "elapsed_sec": 106.16128873825073, "epoch_fa_scores": [-0.42997506260871887, -0.6305846571922302, -0.522188663482666, -0.8559446334838867, -0.9635370373725891, -0.6679611802101135, -0.6401124000549316, -0.7702325582504272, -0.3962883949279785, -0.5574338436126709, -0.7246719002723694, -0.671379566192627, -0.734811544418335, -0.7068763375282288, -0.6701586246490479, -0.8112866878509521, -0.748332679271698, -0.8138247728347778, -0.8147571682929993, -0.9486833214759827, -0.9318070411682129, -0.9009364247322083, -0.8851650953292847, -0.35717499256134033, -0.4639480710029602]}
{"epoch": 178, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 4183, "mean_sigma": 0.028690703213214874, "spearman_rho": 0.9749743185463869, "tau": -0.3783946692943573, "elapsed_sec": 108.11678338050842, "epoch_fa_scores": [-0.5728749632835388, -0.6472275257110596, -0.6629467010498047, -0.6121305227279663, -0.6536225080490112, -0.7651233673095703, -0.8371976613998413, -0.771750807762146, -0.7369363903999329, -0.7719268202781677, -0.7639493346214294, -0.8062615990638733, -0.8657131791114807, -0.8677428960800171, -1.0527111291885376, -0.9552958607673645, -0.32884329557418823, -0.34054383635520935, -0.10264700651168823, -0.4083033800125122, -0.42219066619873047, -0.20208857953548431, -0.372728556394577, -0.38796859979629517, -0.40008744597435]}
{"epoch": 179, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 4208, "mean_sigma": 0.036779746413230896, "spearman_rho": 0.9745600049399091, "tau": -0.37907218933105463, "elapsed_sec": 105.73464727401733, "epoch_fa_scores": [-0.4569658637046814, -0.37787461280822754, -0.39597591757774353, -0.3689361810684204, -0.4868493378162384, -0.4666447043418884, -0.4608340263366699, -0.5024025440216064, -0.4616162180900574, -0.5262041091918945, -0.5206872224807739, -0.5266486406326294, -0.5231251120567322, -0.5347470641136169, -0.5962225198745728, -0.41094836592674255, -0.52409428358078, -0.5833668112754822, -0.593217670917511, -0.7157220840454102, -0.708922266960144, -0.5917685031890869, -0.722787082195282, -0.6692030429840088, -0.601667582988739]}
{"epoch": 180, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 4233, "mean_sigma": 0.04148697853088379, "spearman_rho": 0.9794596472185911, "tau": -0.3780398011207581, "elapsed_sec": 110.79183197021484, "epoch_fa_scores": [-0.3968382477760315, -0.3944414556026459, -0.3783804178237915, -0.45342329144477844, -0.616141676902771, -0.6095746159553528, -0.6335737705230713, -0.614112377166748, -0.26553982496261597, -0.32563546299934387, -0.3986380100250244, -0.3329681158065796, -0.46209198236465454, -0.37011250853538513, -0.3774738311767578, -0.45983660221099854, -0.36945587396621704, -0.4540713429450989, -0.37361156940460205, -0.4165410101413727, -0.46084150671958923, -0.4466933608055115, -0.23795293271541595, -0.2919941842556, -0.34816741943359375]}
{"epoch": 181, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 4258, "mean_sigma": 0.0348537340760231, "spearman_rho": 0.9742865791967248, "tau": -0.3779401779174804, "elapsed_sec": 111.81883406639099, "epoch_fa_scores": [-0.2775353491306305, -0.27136921882629395, -0.39438480138778687, -0.23698148131370544, -0.3908917009830475, -0.3230816721916199, -0.3535957336425781, -0.3394148349761963, -0.8007382750511169, -0.8328781127929688, -0.8841210603713989, -0.8985576033592224, -0.966278612613678, -1.1154555082321167, -0.9463207721710205, -0.8283381462097168, -0.3907427191734314, -0.3986579179763794, -0.380574494600296, -0.4276074469089508, -0.586091935634613, -0.39543238282203674, -0.461336612701416, -0.40067562460899353, -0.520648717880249]}
{"epoch": 182, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 4283, "mean_sigma": 0.020877428352832794, "spearman_rho": 0.9682903548414457, "tau": -0.3780398011207581, "elapsed_sec": 113.6079113483429, "epoch_fa_scores": [-0.46047455072402954, -0.5580763816833496, -0.4582175016403198, -0.5161435604095459, -0.4802221953868866, -0.5418623089790344, -0.6250127553939819, -1.662763237953186, -1.6795556545257568, -1.6237038373947144, -1.6943880319595337, -1.7165709733963013, -1.7600864171981812, -0.724906325340271, -0.7108835577964783, -0.8736742734909058, -0.9112545847892761, -0.8495581150054932, -0.8848905563354492, -0.9494556784629822, -0.8663051128387451, -0.2854468524456024, -0.2501692771911621, -0.2821873128414154, -0.37510401010513306]}
{"epoch": 183, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 4308, "mean_sigma": 0.03746243566274643, "spearman_rho": 0.9734591850172838, "tau": -0.3780398011207581, "elapsed_sec": 109.73532795906067, "epoch_fa_scores": [-0.6632094979286194, -0.6930254101753235, -0.7959514856338501, -0.8228787779808044, -0.8375259041786194, -0.3023335933685303, -0.3451392352581024, -0.34551554918289185, -0.37568286061286926, -0.47559741139411926, -0.48700863122940063, -0.5385658740997314, -0.46083909273147583, -0.7848514318466187, -0.8870262503623962, -0.9085862636566162, -0.8882526755332947, -0.8666158318519592, -0.9343004822731018, -0.8766636252403259, -0.36654072999954224, -0.5617225170135498, -0.5984188318252563, -0.9500046372413635, -0.8834511637687683]}
{"epoch": 184, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 4333, "mean_sigma": 0.033774469047784805, "spearman_rho": 0.978263260137141, "tau": -0.3780398011207581, "elapsed_sec": 113.21980309486389, "epoch_fa_scores": [-0.30248430371284485, -0.3559648096561432, -0.48144376277923584, -0.5052919983863831, -0.40910476446151733, -0.489086389541626, -0.4230307340621948, -0.44351065158843994, -0.3167874217033386, -0.32556405663490295, -0.39034315943717957, -0.3616943657398224, -0.4079819917678833, -0.5018218755722046, -0.8466922044754028, -0.5549842119216919, -0.8327749371528625, -0.5229687094688416, -0.6299092769622803, -0.5533445477485657, -0.901582658290863, -0.37838950753211975, -0.563992977142334, -0.4934980273246765, -0.5830708146095276]}
{"epoch": 185, "f_star": 0.32991090416908264, "best_smiles": "CC(C)(C)c1nc2c(s1)CN(C(=O)c1c(F)cc(F)cc1Cl)CC2", "n_oracle_calls": 4358, "mean_sigma": 0.038942694664001465, "spearman_rho": 0.9719685085721141, "tau": -0.37840014100074765, "elapsed_sec": 118.08744955062866, "epoch_fa_scores": [-0.5879043936729431, -0.516660749912262, -0.637241542339325, -0.7253203392028809, -0.6543128490447998, -0.6140546202659607, -0.6430290341377258, -0.677977442741394, -0.39421316981315613, -0.39140498638153076, -0.35579580068588257, -0.4072088897228241, -0.47323817014694214, -0.46602049469947815, -0.43344417214393616, -1.6335879564285278, -1.6586713790893555, -1.6697384119033813, -1.6824477910995483, -1.699325442314148, -1.783896803855896, -1.6779803037643433, -1.6484323740005493, -0.7057923674583435, -0.6829389333724976]}