diff --git "a/vidd_nocvar_s1/active_loop_log.jsonl" "b/vidd_nocvar_s1/active_loop_log.jsonl"
new file mode 100644--- /dev/null
+++ "b/vidd_nocvar_s1/active_loop_log.jsonl"
@@ -0,0 +1,131 @@
+{"epoch": 0, "f_star": -0.5153137445449829, "best_smiles": "Cc1nc2ccccc2n1CC(=O)N1CCN(c2ccc(F)cc2)CC1", "n_oracle_calls": 25, "mean_sigma": NaN, "spearman_rho": 0.9999999999999999, "tau": -2.5941935777664185, "elapsed_sec": 41.25826597213745, "epoch_fa_scores": [-1.1176111698150635, -1.1815003156661987, -1.1479313373565674, -1.1469600200653076, -1.2872358560562134, -1.4330503940582275, -1.3034377098083496, -1.0161865949630737, -1.0275511741638184, -1.2916247844696045, -0.5153137445449829, -0.9303982257843018, -1.228814959526062, -1.054858684539795, -0.7659488320350647, -1.5907869338989258, -1.3542033433914185, -0.9819034934043884, -1.3242120742797852, -1.5941935777664185, -1.2499638795852661, -1.235201358795166, -0.9525682926177979, -1.103833556175232, -0.7936401963233948], "epoch_fa_smiles": ["Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)no1", "Cc1ccc(C(=O)NC2CC(c3ccc(F)cc3)C2)cc1", "C[NH+]1CCC2(CC1)CN(C(=O)C1CCC(c3ccccc3)CC1)CCO2", "O=C(c1ccc(O)cc1)N1CC[NH+](Cc2ccccc2F)CC1", "C[C@@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1Cc1ccccc1", "CCC(C(=O)NC1CCN(CC2CCCC2)CC1)C(C)C", "CCn1ccnc1CNC(=O)c1ccc(Br)cc1", "Fc1ccc(C[NH+]2CCC(Nc3ccc(Br)cn3)CC2)cc1", "C[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(N2CCC([NH3+])CC2)cc1", "Nc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1", "Cc1nc2ccccc2n1CC(=O)N1CCN(c2ccc(F)cc2)CC1", "Cn1ncc(C(=O)NC2CCCC2)c1-c1ccc(F)cc1", "Cn1cc(NC(=O)N2CC[C@H](c3ccc(F)cc3)C2)cn1", "Clc1ccc(CNc2ccc(-c3ccccc3)cc2)cc1Cl", "CCOC(=O)[C@@H]1CCN(c2ccc(F)c(F)c2F)C1=O", "CCOc1ccc(C(=O)NC2CCCCNCC2)cc1", "CC1=CO[C@H](CNC(=O)c2cccc3cc(C)[nH]c23)C1", "COc1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)cn1", "Nc1ccc(NCc2ccc(-c3ccc([NH3+])cc3)cc2)cc1", "O=C(NCC1CCCCC1)Nc1ccc(Cl)cc1", "O=C(COc1ccccc1)N1CCC(c2ccc(Cl)cc2)CC1", "O=C(c1ccc(O)cc1)N1CCN(Cc2ccccc2O)CC1", "C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(-c2ccc(Br)cc2)cc1", "Cc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1", "O=C(NC1CCN(c2ccc(F)cc2)CC1)c1cccnc1Cl"], "epoch_all_smiles": [{"smiles": "Cc1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cc1", "valid": true, "selected": false}, {"smiles": 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"n_attempted": 500, "n_valid": 2292, "cumulative_diffusion_passes": 50500, "cumulative_ddpp_steps": 5050, "wall_sec": 5167.271}
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"t_ensemble": 33.174, "n_attempted": 500, "n_valid": 2292, "cumulative_diffusion_passes": 64500, "cumulative_ddpp_steps": 6450, "wall_sec": 7059.779}
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