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| {"epoch": 19, "f_star": -0.2845430374145508, "best_smiles": "O=C(c1ccc2cc(Br)ccc2n1)N1CCC(c2ccc(Cl)cc2)CC1", "n_oracle_calls": 43, "mean_sigma": 0.0108743691816926, "spearman_rho": 0.9700772721497398, "tau": -0.35068914890289304, "elapsed_sec": 48.786139488220215, "epoch_fa_scores": [-0.32899436354637146]} |
| {"epoch": 20, "f_star": -0.2845430374145508, "best_smiles": "O=C(c1ccc2cc(Br)ccc2n1)N1CCC(c2ccc(Cl)cc2)CC1", "n_oracle_calls": 44, "mean_sigma": 0.011702978052198887, "spearman_rho": 1.0, "tau": -0.3568678438663483, "elapsed_sec": 50.75487303733826, "epoch_fa_scores": [-0.4220748841762543]} |
| {"epoch": 21, "f_star": -0.2845430374145508, "best_smiles": "O=C(c1ccc2cc(Br)ccc2n1)N1CCC(c2ccc(Cl)cc2)CC1", "n_oracle_calls": 45, "mean_sigma": 0.012911544181406498, "spearman_rho": 0.9833333333333333, "tau": -0.33723415732383727, "elapsed_sec": 49.879228591918945, "epoch_fa_scores": [-0.31409522891044617]} |
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| {"epoch": 23, "f_star": -0.03675048425793648, "best_smiles": "O=C(c1c[nH]c2ccc(Cl)cc12)N1CCN(c2ccc(Cl)cc2Cl)CC1", "n_oracle_calls": 47, "mean_sigma": 0.014500664547085762, "spearman_rho": 0.9707197941566387, "tau": -0.3297642409801483, "elapsed_sec": 49.82487225532532, "epoch_fa_scores": [-0.03675048425793648]} |
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| {"epoch": 25, "f_star": -0.03675048425793648, "best_smiles": "O=C(c1c[nH]c2ccc(Cl)cc12)N1CCN(c2ccc(Cl)cc2Cl)CC1", "n_oracle_calls": 49, "mean_sigma": 0.014186146669089794, "spearman_rho": 0.9707197941566387, "tau": -0.3287380635738373, "elapsed_sec": 50.553056716918945, "epoch_fa_scores": [-0.3206274211406708]} |
| {"epoch": 26, "f_star": -0.03675048425793648, "best_smiles": "O=C(c1c[nH]c2ccc(Cl)cc12)N1CCN(c2ccc(Cl)cc2Cl)CC1", "n_oracle_calls": 50, "mean_sigma": 0.01660267263650894, "spearman_rho": 0.9636363636363635, "tau": -0.32886621356010437, "elapsed_sec": 49.7870934009552, "epoch_fa_scores": [-0.4209442138671875]} |
| {"epoch": 27, "f_star": -0.03675048425793648, "best_smiles": "O=C(c1c[nH]c2ccc(Cl)cc12)N1CCN(c2ccc(Cl)cc2Cl)CC1", "n_oracle_calls": 51, "mean_sigma": 0.01693555898964405, "spearman_rho": 0.9272727272727272, "tau": -0.32899436354637146, "elapsed_sec": 49.24863886833191, "epoch_fa_scores": [-0.4370003938674927]} |
| {"epoch": 28, "f_star": -0.03675048425793648, "best_smiles": "O=C(c1c[nH]c2ccc(Cl)cc12)N1CCN(c2ccc(Cl)cc2Cl)CC1", "n_oracle_calls": 52, "mean_sigma": 0.030209628865122795, "spearman_rho": 0.9969650916353059, "tau": -0.3284817636013031, "elapsed_sec": 51.294793128967285, "epoch_fa_scores": [-0.3216654658317566]} |
| {"epoch": 29, "f_star": -0.03675048425793648, "best_smiles": "O=C(c1c[nH]c2ccc(Cl)cc12)N1CCN(c2ccc(Cl)cc2Cl)CC1", "n_oracle_calls": 53, "mean_sigma": 0.022068213671445847, "spearman_rho": 0.9878787878787878, "tau": -0.3270252048969269, "elapsed_sec": 50.47431206703186, "epoch_fa_scores": [-0.1318286806344986]} |
| {"epoch": 30, "f_star": -0.03675048425793648, "best_smiles": "O=C(c1c[nH]c2ccc(Cl)cc12)N1CCN(c2ccc(Cl)cc2Cl)CC1", "n_oracle_calls": 54, "mean_sigma": 0.024791786447167397, "spearman_rho": 0.8787878787878788, "tau": -0.32606632113456724, "elapsed_sec": 50.54961848258972, "epoch_fa_scores": [-0.1315796971321106]} |
| {"epoch": 31, "f_star": -0.03675048425793648, "best_smiles": "O=C(c1c[nH]c2ccc(Cl)cc12)N1CCN(c2ccc(Cl)cc2Cl)CC1", "n_oracle_calls": 55, "mean_sigma": 0.019027037546038628, "spearman_rho": 0.9886130432447054, "tau": -0.3250982165336609, "elapsed_sec": 50.710947036743164, "epoch_fa_scores": [-0.13605719804763794]} |
| {"epoch": 32, "f_star": -0.03675048425793648, "best_smiles": "O=C(c1c[nH]c2ccc(Cl)cc12)N1CCN(c2ccc(Cl)cc2Cl)CC1", "n_oracle_calls": 56, "mean_sigma": 0.01494649425148964, "spearman_rho": 0.990909090909091, "tau": -0.3216654658317566, "elapsed_sec": 48.82698678970337, "epoch_fa_scores": [-0.140358567237854]} |
| {"epoch": 33, "f_star": -0.03675048425793648, "best_smiles": "O=C(c1c[nH]c2ccc(Cl)cc12)N1CCN(c2ccc(Cl)cc2Cl)CC1", "n_oracle_calls": 57, "mean_sigma": 0.013727234676480293, "spearman_rho": 0.9726128794014853, "tau": -0.3208350300788879, "elapsed_sec": 50.67022109031677, "epoch_fa_scores": [-0.17135746777057648]} |
| {"epoch": 34, "f_star": -0.03675048425793648, "best_smiles": "O=C(c1c[nH]c2ccc(Cl)cc12)N1CCN(c2ccc(Cl)cc2Cl)CC1", "n_oracle_calls": 58, "mean_sigma": 0.013800980523228645, "spearman_rho": 1.0, "tau": -0.3195104241371155, "elapsed_sec": 50.10050821304321, "epoch_fa_scores": [-0.26498138904571533]} |
| {"epoch": 35, "f_star": -0.03675048425793648, "best_smiles": "O=C(c1c[nH]c2ccc(Cl)cc12)N1CCN(c2ccc(Cl)cc2Cl)CC1", "n_oracle_calls": 59, "mean_sigma": 0.018305424600839615, "spearman_rho": 0.9840572227689233, "tau": -0.31810607910156247, "elapsed_sec": 49.805418968200684, "epoch_fa_scores": [-0.23581737279891968]} |
| {"epoch": 36, "f_star": -0.03675048425793648, "best_smiles": "O=C(c1c[nH]c2ccc(Cl)cc12)N1CCN(c2ccc(Cl)cc2Cl)CC1", "n_oracle_calls": 60, "mean_sigma": 0.02112867310643196, "spearman_rho": 0.99124495269876, "tau": -0.3165122926235199, "elapsed_sec": 51.11093258857727, "epoch_fa_scores": [-0.13044427335262299]} |
| {"epoch": 37, "f_star": -0.03675048425793648, "best_smiles": "O=C(c1c[nH]c2ccc(Cl)cc12)N1CCN(c2ccc(Cl)cc2Cl)CC1", "n_oracle_calls": 61, "mean_sigma": 0.016352910548448563, "spearman_rho": 0.9648126568294783, "tau": -0.31409522891044617, "elapsed_sec": 46.89507746696472, "epoch_fa_scores": [-0.16054414212703705]} |
| {"epoch": 38, "f_star": -0.03675048425793648, "best_smiles": "O=C(c1c[nH]c2ccc(Cl)cc12)N1CCN(c2ccc(Cl)cc2Cl)CC1", "n_oracle_calls": 62, "mean_sigma": 0.018522975966334343, "spearman_rho": 0.9543918399186053, "tau": -0.3062658488750457, "elapsed_sec": 50.64630198478699, "epoch_fa_scores": [-0.05479327216744423]} |
| {"epoch": 39, "f_star": -0.03675048425793648, "best_smiles": "O=C(c1c[nH]c2ccc(Cl)cc12)N1CCN(c2ccc(Cl)cc2Cl)CC1", "n_oracle_calls": 64, "mean_sigma": 0.01578136719763279, "spearman_rho": 0.9930069930069931, "tau": -0.2767183780670165, "elapsed_sec": 51.63965439796448, "epoch_fa_scores": [-0.07065331190824509, -0.07067550718784332]} |
| {"epoch": 40, "f_star": -0.03675048425793648, "best_smiles": "O=C(c1c[nH]c2ccc(Cl)cc12)N1CCN(c2ccc(Cl)cc2Cl)CC1", "n_oracle_calls": 65, "mean_sigma": 0.015210423618555069, "spearman_rho": 0.9793681892276984, "tau": -0.25914858579635613, "elapsed_sec": 52.462868213653564, "epoch_fa_scores": [-0.0742131918668747]} |
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| {"epoch": 42, "f_star": -0.03675048425793648, "best_smiles": "O=C(c1c[nH]c2ccc(Cl)cc12)N1CCN(c2ccc(Cl)cc2Cl)CC1", "n_oracle_calls": 67, "mean_sigma": 0.020239660516381264, "spearman_rho": 0.998625428903524, "tau": -0.18424944877624483, "elapsed_sec": 50.69343566894531, "epoch_fa_scores": [-0.14035217463970184]} |
| {"epoch": 43, "f_star": 0.10542605072259903, "best_smiles": "O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3ccc(Cl)cc3s2)CC1", "n_oracle_calls": 68, "mean_sigma": 0.018425697460770607, "spearman_rho": 0.8940861278061853, "tau": -0.1648694723844528, "elapsed_sec": 51.46413016319275, "epoch_fa_scores": [0.10542605072259903]} |
| {"epoch": 44, "f_star": 0.10542605072259903, "best_smiles": "O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3ccc(Cl)cc3s2)CC1", "n_oracle_calls": 69, "mean_sigma": 0.020254917442798615, "spearman_rho": 0.9945054945054945, "tau": -0.15246991217136371, "elapsed_sec": 51.55487895011902, "epoch_fa_scores": [-0.13935935497283936]} |
| {"epoch": 45, "f_star": 0.10542605072259903, "best_smiles": "O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3ccc(Cl)cc3s2)CC1", "n_oracle_calls": 70, "mean_sigma": 0.0161209125071764, "spearman_rho": 0.9977997773122599, "tau": -0.1565070271492004, "elapsed_sec": 48.41623020172119, "epoch_fa_scores": [-0.2118925005197525]} |
| {"epoch": 46, "f_star": 0.10542605072259903, "best_smiles": "O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3ccc(Cl)cc3s2)CC1", "n_oracle_calls": 71, "mean_sigma": 0.028970398008823395, "spearman_rho": 0.9945000517380604, "tau": -0.140358567237854, "elapsed_sec": 52.63627743721008, "epoch_fa_scores": [-0.0671367272734642]} |
| {"epoch": 47, "f_star": 0.10542605072259903, "best_smiles": "O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3ccc(Cl)cc3s2)CC1", "n_oracle_calls": 72, "mean_sigma": 0.025141041725873947, "spearman_rho": 0.9945000517380604, "tau": -0.14059342741966246, "elapsed_sec": 49.10933446884155, "epoch_fa_scores": [-0.14153286814689636]} |
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| {"epoch": 56, "f_star": 0.10542605072259903, "best_smiles": "O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3ccc(Cl)cc3s2)CC1", "n_oracle_calls": 81, "mean_sigma": 0.015333956107497215, "spearman_rho": 0.97622814463338, "tau": -0.1318286806344986, "elapsed_sec": 50.62767219543457, "epoch_fa_scores": [-0.14565543830394745]} |
| {"epoch": 57, "f_star": 0.10542605072259903, "best_smiles": "O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3ccc(Cl)cc3s2)CC1", "n_oracle_calls": 82, "mean_sigma": 0.018320908769965172, "spearman_rho": 0.9468335208371292, "tau": -0.13267438411712648, "elapsed_sec": 50.87122368812561, "epoch_fa_scores": [-0.14377644658088684]} |
| {"epoch": 58, "f_star": 0.10542605072259903, "best_smiles": "O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3ccc(Cl)cc3s2)CC1", "n_oracle_calls": 83, "mean_sigma": 0.017721159383654594, "spearman_rho": 0.9702573302931148, "tau": -0.13181800544261932, "elapsed_sec": 49.55876851081848, "epoch_fa_scores": [-0.1284985989332199]} |
| {"epoch": 59, "f_star": 0.10542605072259903, "best_smiles": "O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3ccc(Cl)cc3s2)CC1", "n_oracle_calls": 84, "mean_sigma": 0.01232942845672369, "spearman_rho": 0.9622262080597301, "tau": -0.13171841204166412, "elapsed_sec": 50.275490522384644, "epoch_fa_scores": [-0.07028921693563461]} |
| {"epoch": 60, "f_star": 0.10542605072259903, "best_smiles": "O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3ccc(Cl)cc3s2)CC1", "n_oracle_calls": 85, "mean_sigma": 0.02398701012134552, "spearman_rho": 0.975963248577832, "tau": -0.13176465034484863, "elapsed_sec": 51.54395031929016, "epoch_fa_scores": [-0.7512638568878174]} |
| {"epoch": 61, "f_star": 0.10542605072259903, "best_smiles": "O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3ccc(Cl)cc3s2)CC1", "n_oracle_calls": 86, "mean_sigma": 0.024273918941617012, "spearman_rho": 0.8994654971090261, "tau": -0.13181088864803314, "elapsed_sec": 48.87971377372742, "epoch_fa_scores": [-0.14575377106666565]} |
| {"epoch": 62, "f_star": 0.10542605072259903, "best_smiles": "O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3ccc(Cl)cc3s2)CC1", "n_oracle_calls": 87, "mean_sigma": 0.02350226230919361, "spearman_rho": 0.9362745098039217, "tau": -0.1316259354352951, "elapsed_sec": 46.47902750968933, "epoch_fa_scores": [-0.08590526878833771]} |
| {"epoch": 63, "f_star": 0.10542605072259903, "best_smiles": "O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3ccc(Cl)cc3s2)CC1", "n_oracle_calls": 88, "mean_sigma": 0.034463897347450256, "spearman_rho": 0.9582338505976394, "tau": -0.13167217373847961, "elapsed_sec": 49.008954763412476, "epoch_fa_scores": [-0.2974849045276642]} |
| {"epoch": 64, "f_star": 0.10542605072259903, "best_smiles": "O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3ccc(Cl)cc3s2)CC1", "n_oracle_calls": 89, "mean_sigma": 0.024052245542407036, "spearman_rho": 0.9839891078143004, "tau": -0.13171841204166412, "elapsed_sec": 48.5952262878418, "epoch_fa_scores": [-0.16716521978378296]} |
| {"epoch": 65, "f_star": 0.10542605072259903, "best_smiles": "O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3ccc(Cl)cc3s2)CC1", "n_oracle_calls": 90, "mean_sigma": 0.026735112071037292, "spearman_rho": 0.958519117234496, "tau": -0.13176465034484863, "elapsed_sec": 49.78321409225464, "epoch_fa_scores": [-0.23836646974086761]} |
| {"epoch": 66, "f_star": 0.10542605072259903, "best_smiles": "O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3ccc(Cl)cc3s2)CC1", "n_oracle_calls": 91, "mean_sigma": 0.026064280420541763, "spearman_rho": 0.9480037125787003, "tau": -0.13181088864803314, "elapsed_sec": 48.842249631881714, "epoch_fa_scores": [-0.16302283108234406]} |
| {"epoch": 67, "f_star": 0.10542605072259903, "best_smiles": "O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3ccc(Cl)cc3s2)CC1", "n_oracle_calls": 92, "mean_sigma": 0.042688850313425064, "spearman_rho": 0.9648417740831213, "tau": -0.13181444704532624, "elapsed_sec": 50.526299238204956, "epoch_fa_scores": [-0.1325720101594925]} |
| {"epoch": 68, "f_star": 0.10542605072259903, "best_smiles": "O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3ccc(Cl)cc3s2)CC1", "n_oracle_calls": 93, "mean_sigma": 0.030511341989040375, "spearman_rho": 0.9587203302373581, "tau": -0.13167217373847961, "elapsed_sec": 48.2896203994751, "epoch_fa_scores": [-0.11318162083625793]} |
| {"epoch": 69, "f_star": 0.10542605072259903, "best_smiles": "O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3ccc(Cl)cc3s2)CC1", "n_oracle_calls": 94, "mean_sigma": 0.03168177977204323, "spearman_rho": 0.9020315907506091, "tau": -0.13171841204166412, "elapsed_sec": 48.14139914512634, "epoch_fa_scores": [-0.5685366988182068]} |
| {"epoch": 70, "f_star": 0.10542605072259903, "best_smiles": "O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3ccc(Cl)cc3s2)CC1", "n_oracle_calls": 95, "mean_sigma": 0.03246845677495003, "spearman_rho": 0.975438596491228, "tau": -0.13176465034484863, "elapsed_sec": 49.49469828605652, "epoch_fa_scores": [-0.15980805456638336]} |
| {"epoch": 71, "f_star": 0.10542605072259903, "best_smiles": "O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3ccc(Cl)cc3s2)CC1", "n_oracle_calls": 96, "mean_sigma": 0.031490303575992584, "spearman_rho": 0.9627030325632878, "tau": -0.13181088864803314, "elapsed_sec": 50.5352246761322, "epoch_fa_scores": [-0.24334917962551117]} |
| {"epoch": 72, "f_star": 0.10542605072259903, "best_smiles": "O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3ccc(Cl)cc3s2)CC1", "n_oracle_calls": 97, "mean_sigma": 0.03199391067028046, "spearman_rho": 0.9787993898721203, "tau": -0.13181444704532624, "elapsed_sec": 49.63900661468506, "epoch_fa_scores": [-0.16545704007148743]} |
| {"epoch": 73, "f_star": 0.10542605072259903, "best_smiles": "O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3ccc(Cl)cc3s2)CC1", "n_oracle_calls": 98, "mean_sigma": 0.030363352969288826, "spearman_rho": 0.9249955889691326, "tau": -0.13167217373847961, "elapsed_sec": 49.209237813949585, "epoch_fa_scores": [-0.06932725757360458]} |
| {"epoch": 74, "f_star": 0.10542605072259903, "best_smiles": "O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3ccc(Cl)cc3s2)CC1", "n_oracle_calls": 99, "mean_sigma": 0.03167285770177841, "spearman_rho": 0.9635806105328077, "tau": -0.13171841204166412, "elapsed_sec": 47.96556043624878, "epoch_fa_scores": [-0.2908465564250946]} |
| {"epoch": 75, "f_star": 0.10542605072259903, "best_smiles": "O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3ccc(Cl)cc3s2)CC1", "n_oracle_calls": 100, "mean_sigma": 0.0381496362388134, "spearman_rho": 0.9690635035026941, "tau": -0.13135261237621307, "elapsed_sec": 51.00778937339783, "epoch_fa_scores": [-0.04598667845129967]} |
| {"epoch": 76, "f_star": 0.10542605072259903, "best_smiles": "O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3ccc(Cl)cc3s2)CC1", "n_oracle_calls": 101, "mean_sigma": 0.04405756667256355, "spearman_rho": 0.8764152012224483, "tau": -0.1315796971321106, "elapsed_sec": 50.21650576591492, "epoch_fa_scores": [-0.19084519147872925]} |
| {"epoch": 77, "f_star": 0.10542605072259903, "best_smiles": "O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3ccc(Cl)cc3s2)CC1", "n_oracle_calls": 102, "mean_sigma": 0.032579969614744186, "spearman_rho": 0.9047845563894361, "tau": -0.13067135810852049, "elapsed_sec": 48.689348459243774, "epoch_fa_scores": [-0.12307402491569519]} |
| {"epoch": 78, "f_star": 0.10542605072259903, "best_smiles": "O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3ccc(Cl)cc3s2)CC1", "n_oracle_calls": 103, "mean_sigma": 0.03310142084956169, "spearman_rho": 0.9472902309056648, "tau": -0.130898442864418, "elapsed_sec": 49.01344180107117, "epoch_fa_scores": [-0.26483044028282166]} |
| {"epoch": 79, "f_star": 0.10542605072259903, "best_smiles": "O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3ccc(Cl)cc3s2)CC1", "n_oracle_calls": 104, "mean_sigma": 0.02607455849647522, "spearman_rho": 0.979134657107892, "tau": -0.13112552762031554, "elapsed_sec": 49.313849449157715, "epoch_fa_scores": [-0.23821666836738586]} |
| {"epoch": 80, "f_star": 0.10542605072259903, "best_smiles": "O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3ccc(Cl)cc3s2)CC1", "n_oracle_calls": 105, "mean_sigma": 0.0385916531085968, "spearman_rho": 0.9534111420344297, "tau": -0.13005513846874237, "elapsed_sec": 50.69213843345642, "epoch_fa_scores": [-0.11564674973487854]} |
| {"epoch": 81, "f_star": 0.10542605072259903, "best_smiles": "O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3ccc(Cl)cc3s2)CC1", "n_oracle_calls": 106, "mean_sigma": 0.05672481656074524, "spearman_rho": 0.9371190856086876, "tau": -0.1284985989332199, "elapsed_sec": 48.67214775085449, "epoch_fa_scores": [-0.05881563946604729]} |
| {"epoch": 82, "f_star": 0.10542605072259903, "best_smiles": "O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3ccc(Cl)cc3s2)CC1", "n_oracle_calls": 107, "mean_sigma": 0.03493991494178772, "spearman_rho": 0.9690696125065703, "tau": -0.12415893971920007, "elapsed_sec": 48.94881510734558, "epoch_fa_scores": [-0.06934760510921478]} |
| {"epoch": 83, "f_star": 0.10542605072259903, "best_smiles": "O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3ccc(Cl)cc3s2)CC1", "n_oracle_calls": 108, "mean_sigma": 0.028137952089309692, "spearman_rho": 0.9616153646078417, "tau": -0.12524385452270503, "elapsed_sec": 46.44161939620972, "epoch_fa_scores": [-0.22433622181415558]} |
| {"epoch": 84, "f_star": 0.10542605072259903, "best_smiles": "O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3ccc(Cl)cc3s2)CC1", "n_oracle_calls": 109, "mean_sigma": 0.04646962881088257, "spearman_rho": 0.9346770773257644, "tau": -0.12595892846584317, "elapsed_sec": 50.6906795501709, "epoch_fa_scores": [-0.1278821974992752]} |
| {"epoch": 85, "f_star": 0.10542605072259903, "best_smiles": "O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3ccc(Cl)cc3s2)CC1", "n_oracle_calls": 110, "mean_sigma": 0.03787509351968765, "spearman_rho": 0.9623984736171195, "tau": -0.1269205629825592, "elapsed_sec": 49.4499351978302, "epoch_fa_scores": [-0.12975534796714783]} |
| {"epoch": 86, "f_star": 0.1275550276041031, "best_smiles": "O=C(c1cc(Cl)cc(Cl)c1Cl)N1CCN(c2nc3ccccc3s2)CC1", "n_oracle_calls": 111, "mean_sigma": 0.040923114866018295, "spearman_rho": 0.9733900848288369, "tau": -0.12307402491569519, "elapsed_sec": 48.96014142036438, "epoch_fa_scores": [0.1275550276041031]} |
| {"epoch": 87, "f_star": 0.1275550276041031, "best_smiles": "O=C(c1cc(Cl)cc(Cl)c1Cl)N1CCN(c2nc3ccccc3s2)CC1", "n_oracle_calls": 112, "mean_sigma": 0.03204185143113136, "spearman_rho": 0.9137696435753615, "tau": -0.12403565943241114, "elapsed_sec": 49.05013585090637, "epoch_fa_scores": [-0.2689921259880066]} |
| {"epoch": 88, "f_star": 0.1275550276041031, "best_smiles": "O=C(c1cc(Cl)cc(Cl)c1Cl)N1CCN(c2nc3ccccc3s2)CC1", "n_oracle_calls": 113, "mean_sigma": 0.0514986515045166, "spearman_rho": 0.9426715992962745, "tau": -0.12208838909864424, "elapsed_sec": 49.86714243888855, "epoch_fa_scores": [-0.021496964618563652]} |
| {"epoch": 89, "f_star": 0.1275550276041031, "best_smiles": "O=C(c1cc(Cl)cc(Cl)c1Cl)N1CCN(c2nc3ccccc3s2)CC1", "n_oracle_calls": 114, "mean_sigma": 0.024986421689391136, "spearman_rho": 0.9235597605327708, "tau": -0.11911747902631756, "elapsed_sec": 48.2278311252594, "epoch_fa_scores": [-0.06932439655065536]} |
| {"epoch": 90, "f_star": 0.1275550276041031, "best_smiles": "O=C(c1cc(Cl)cc(Cl)c1Cl)N1CCN(c2nc3ccccc3s2)CC1", "n_oracle_calls": 115, "mean_sigma": 0.062096331268548965, "spearman_rho": 0.9760086612884367, "tau": -0.11515372395515441, "elapsed_sec": 51.294559478759766, "epoch_fa_scores": [0.0006951344548724592]} |
| {"epoch": 91, "f_star": 0.1275550276041031, "best_smiles": "O=C(c1cc(Cl)cc(Cl)c1Cl)N1CCN(c2nc3ccccc3s2)CC1", "n_oracle_calls": 116, "mean_sigma": 0.0445360392332077, "spearman_rho": 0.9238382362941678, "tau": -0.11564674973487854, "elapsed_sec": 51.17112469673157, "epoch_fa_scores": [-0.16054095327854156]} |
| {"epoch": 92, "f_star": 0.1275550276041031, "best_smiles": "O=C(c1cc(Cl)cc(Cl)c1Cl)N1CCN(c2nc3ccccc3s2)CC1", "n_oracle_calls": 117, "mean_sigma": 0.04380328208208084, "spearman_rho": 0.9535118413143232, "tau": -0.11367464661598203, "elapsed_sec": 48.94278573989868, "epoch_fa_scores": [-0.0547979474067688]} |
| {"epoch": 93, "f_star": 0.1275550276041031, "best_smiles": "O=C(c1cc(Cl)cc(Cl)c1Cl)N1CCN(c2nc3ccccc3s2)CC1", "n_oracle_calls": 118, "mean_sigma": 0.06252507865428925, "spearman_rho": 0.939314856812429, "tau": -0.11416767239570616, "elapsed_sec": 49.075599193573, "epoch_fa_scores": [-0.22433216869831085]} |
| {"epoch": 94, "f_star": 0.1275550276041031, "best_smiles": "O=C(c1cc(Cl)cc(Cl)c1Cl)N1CCN(c2nc3ccccc3s2)CC1", "n_oracle_calls": 119, "mean_sigma": 0.03275821730494499, "spearman_rho": 0.9264339568772375, "tau": -0.11466069817543029, "elapsed_sec": 49.97557210922241, "epoch_fa_scores": [-0.16564325988292694]} |
| {"epoch": 95, "f_star": 0.1275550276041031, "best_smiles": "O=C(c1cc(Cl)cc(Cl)c1Cl)N1CCN(c2nc3ccccc3s2)CC1", "n_oracle_calls": 120, "mean_sigma": 0.11760006099939346, "spearman_rho": 0.912619749776077, "tau": -0.11515372395515441, "elapsed_sec": 48.80829572677612, "epoch_fa_scores": [-0.5889787077903748]} |
| {"epoch": 96, "f_star": 0.1275550276041031, "best_smiles": "O=C(c1cc(Cl)cc(Cl)c1Cl)N1CCN(c2nc3ccccc3s2)CC1", "n_oracle_calls": 121, "mean_sigma": 0.03433443605899811, "spearman_rho": 0.9178845779188084, "tau": -0.11318162083625793, "elapsed_sec": 51.44087505340576, "epoch_fa_scores": [0.022321706637740135]} |
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