Fixed reporting

notebooks/protac_degradation_predictor.py

@@ -6,6 +6,7 @@ from collections import defaultdict
 from typing import Literal, List, Tuple, Optional
 import urllib.request
 
+import joblib
 import optuna
 from optuna.samplers import TPESampler
 import h5py
@@ -754,6 +755,7 @@ def hyperparameter_tuning_and_training(
         logger_name: str = 'protac_hparam_search',
         active_label: str = 'Active',
         disabled_embeddings: List[str] = [],
+        study_filename: Optional[str] = None,
 ) -> tuple:
     """ Hyperparameter tuning and training of a PROTAC model.
     
@@ -797,6 +799,9 @@ def hyperparameter_tuning_and_training(
         n_trials=n_trials,
     )
 
+    if study_filename:
+        joblib.dump(study, study_filename)
+
     # Retrain the model with the best hyperparameters
     model, trainer, metrics = train_model(
         train_df,
@@ -833,7 +838,7 @@ def main(
         fast_dev_run (bool): Whether to run a fast development run.
     """
     ## Set the Column to Predict
-    active_name = active_col.replace(' ', '_').strip('(').strip(')').strip(',')
+    active_name = active_col.replace(' ', '_').replace('(', '').replace(')', '').replace(',', '')
 
     # Get Dmax_threshold from the active_col
     Dmax_threshold = float(active_col.split('Dmax')[1].split(',')[0].strip('(').strip(')').strip())
@@ -987,18 +992,21 @@ def main(
 
             stats = {
                 'fold': k,
+                'split_type': split_type,
                 'train_len': len(train_df),
                 'val_len': len(val_df),
                 'train_perc': len(train_df) / len(train_val_df),
                 'val_perc': len(val_df) / len(train_val_df),
-                'train_active (%)': train_df[active_col].sum() / len(train_df) * 100,
-                'train_inactive (%)': (len(train_df) - train_df[active_col].sum()) / len(train_df) * 100,
-                'val_active (%)': val_df[active_col].sum() / len(val_df) * 100,
-                'val_inactive (%)': (len(val_df) - val_df[active_col].sum()) / len(val_df) * 100,
+                'train_active_perc': train_df[active_col].sum() / len(train_df) * 100,
+                'train_inactive_perc': (len(train_df) - train_df[active_col].sum()) / len(train_df) * 100,
+                'val_active_perc': val_df[active_col].sum() / len(val_df) * 100,
+                'val_inactive_perc': (len(val_df) - val_df[active_col].sum()) / len(val_df) * 100,
+                'test_active_perc': test_df[active_col].sum() / len(test_df),
+                'test_inactive_perc': (len(test_df) - test_df[active_col].sum()) / len(test_df),
                 'num_leaking_uniprot': len(leaking_uniprot),
                 'num_leaking_smiles': len(leaking_smiles),
-                'train_leaking_uniprot (%)': len(train_df[train_df['Uniprot'].isin(leaking_uniprot)]) / len(train_df) * 100,
-                'train_leaking_smiles (%)': len(train_df[train_df['Smiles'].isin(leaking_smiles)]) / len(train_df) * 100,
+                'train_leaking_uniprot_perc': len(train_df[train_df['Uniprot'].isin(leaking_uniprot)]) / len(train_df) * 100,
+                'train_leaking_smiles_perc': len(train_df[train_df['Smiles'].isin(leaking_smiles)]) / len(train_df) * 100,
             }
             if split_type != 'random':
                 stats['train_unique_groups'] = len(np.unique(group[train_index]))
@@ -1012,8 +1020,9 @@ def main(
                 test_df,
                 fast_dev_run=fast_dev_run,
                 n_trials=n_trials,
-                logger_name=f'protac_{active_name}_{split_type}_fold_{k}',
+                logger_name=f'protac_{active_name}_{split_type}_fold_{k}_test_split_{test_split}',
                 active_label=active_col,
+                study_filename=f'../reports/study_{active_name}_{split_type}_fold_{k}_test_split_{test_split}.pkl',
             )
             hparams = {p.strip('hparam_'): v for p, v in stats.items() if p.startswith('hparam_')}
             stats.update(metrics)

reports/cv_report_hparam_search_5-splits_Active_Dmax_0.6_pDC50_6.0_test_split_0.1.csv

@@ -1,36 +1,36 @@
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-3,546,226,0.7072538860103627,0.2927461139896373,48.35164835164835,51.64835164835166,56.19469026548673,43.80530973451327,0,8,0.0,4.029304029304029,27,7,0.7711520195007324,0.508849561214447,0.47887325286865234,0.508849561214447,0.9877228140830994,0.5930232405662537,0.4015747904777527,0.506680965423584,0.6978779435157776,0.6352941393852234,0.6990291476249695,0.6352941393852234,1.3343232870101929,0.6315789222717285,0.782608687877655,0.6262542009353638,512,32,1.0870907269323889e-05,concat,6,True,True,0.39783246009922746,disabled cell
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-3,546,226,0.7072538860103627,0.2927461139896373,48.35164835164835,51.64835164835166,56.19469026548673,43.80530973451327,0,8,0.0,4.029304029304029,27,7,0.7210544943809509,0.5044247508049011,0.3978494703769684,0.5044247508049011,0.9022742509841919,0.6271186470985413,0.29133859276771545,0.5174182653427124,0.705439031124115,0.5058823823928833,0.34375,0.5058823823928833,0.8496323823928833,0.6111111044883728,0.239130437374115,0.5749721527099609,512,32,1.0870907269323889e-05,concat,6,True,True,0.39783246009922746,disabled poi e3 cell
-4,693,79,0.8976683937823834,0.10233160621761658,48.484848484848484,51.515151515151516,69.62025316455697,30.37974683544304,0,8,0.0,1.443001443001443,30,4,0.7189785242080688,0.3544303774833679,0.3855421543121338,0.3544303774833679,0.7399725317955017,0.5714285969734192,0.290909081697464,0.35265153646469116,0.7654944658279419,0.4941176474094391,0.5274725556373596,0.4941176474094391,1.021590232849121,0.5333333611488342,0.52173912525177,0.4361761212348938,768,32,1.0832011472210149e-05,sum,15,False,True,0.14187964495420283,disabled poi e3 cell
-4,693,79,0.8976683937823834,0.10233160621761658,48.484848484848484,51.515151515151516,69.62025316455697,30.37974683544304,0,8,0.0,1.443001443001443,30,4,0.7016108632087708,0.6455696225166321,0.7454545497894287,0.6455696225166321,1.391024112701416,0.7454545497894287,0.7454545497894287,0.5219696760177612,0.9156093001365662,0.529411792755127,0.5348837375640869,0.529411792755127,1.0642955303192139,0.574999988079071,0.5,0.5284280776977539,768,32,1.0832011472210149e-05,sum,15,False,True,0.14187964495420283,
-4,693,79,0.8976683937823834,0.10233160621761658,48.484848484848484,51.515151515151516,69.62025316455697,30.37974683544304,0,8,0.0,1.443001443001443,30,4,0.8771665692329407,0.4430379867553711,0.44999998807907104,0.4430379867553711,0.8930379748344421,0.7200000286102295,0.3272727131843567,0.4515151381492615,0.8086894154548645,0.47058823704719543,0.26229506731033325,0.47058823704719543,0.7328833341598511,0.5333333611488342,0.17391304671764374,0.5236901044845581,768,32,1.0832011472210149e-05,sum,15,False,True,0.14187964495420283,disabled poi
-4,693,79,0.8976683937823834,0.10233160621761658,48.484848484848484,51.515151515151516,69.62025316455697,30.37974683544304,0,8,0.0,1.443001443001443,30,4,0.8688569068908691,0.3670886158943176,0.2647058963775635,0.3670886158943176,0.6317945122718811,0.692307710647583,0.16363635659217834,0.6988636255264282,0.7910775542259216,0.5058823823928833,0.32258063554763794,0.5058823823928833,0.8284630179405212,0.625,0.21739129722118378,0.5242475271224976,768,32,1.0832011472210149e-05,sum,15,False,True,0.14187964495420283,disabled cell
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-4,693,79,0.8976683937823834,0.10233160621761658,48.484848484848484,51.515151515151516,69.62025316455697,30.37974683544304,0,8,0.0,1.443001443001443,30,4,0.7189785242080688,0.3544303774833679,0.3855421543121338,0.3544303774833679,0.7399725317955017,0.5714285969734192,0.290909081697464,0.35265153646469116,0.7654944658279419,0.4941176474094391,0.5274725556373596,0.4941176474094391,1.021590232849121,0.5333333611488342,0.52173912525177,0.4361761212348938,768,32,1.0832011472210149e-05,sum,15,False,True,0.14187964495420283,disabled poi e3 cell
+fold,split_type,train_len,val_len,train_perc,val_perc,train_active_perc,train_inactive_perc,val_active_perc,val_inactive_perc,test_active_perc,test_inactive_perc,num_leaking_uniprot,num_leaking_smiles,train_leaking_uniprot_perc,train_leaking_smiles_perc,train_unique_groups,val_unique_groups,val_loss,val_acc,val_f1_score,val_hp_metric,val_opt_score,val_precision,val_recall,val_roc_auc,test_loss,test_acc,test_f1_score,test_hp_metric,test_opt_score,test_precision,test_recall,test_roc_auc,hparam_hidden_dim,hparam_batch_size,hparam_learning_rate,hparam_join_embeddings,hparam_smote_k_neighbors,hparam_use_smote,hparam_apply_scaling,hparam_dropout,disabled_embeddings
+0,uniprot,560,212,0.7253886010362695,0.27461139896373055,54.46428571428571,45.535714285714285,40.56603773584906,59.43396226415094,0.5411764705882353,0.4588235294117647,0,35,0.0,10.357142857142858,24,10,0.7081143260002136,0.5,0.4952380955219269,0.5,0.9952380657196045,0.4193548262119293,0.604651153087616,0.5635843276977539,0.7645866870880127,0.47058823704719543,0.4303797483444214,0.47058823704719543,0.9009679555892944,0.5151515007019043,0.3695652186870575,0.47185057401657104,256,16,1.1862728135405334e-05,sum,5,True,True,0.24923825304171893,disabled poi e3 cell
+0,uniprot,560,212,0.7253886010362695,0.27461139896373055,54.46428571428571,45.535714285714285,40.56603773584906,59.43396226415094,0.5411764705882353,0.4588235294117647,0,35,0.0,10.357142857142858,24,10,0.6426063179969788,0.6273584961891174,0.6146341562271118,0.6273584961891174,1.241992712020874,0.529411792755127,0.7325581312179565,0.7359726428985596,0.7906760573387146,0.5411764979362488,0.5806451439857483,0.5411764979362488,1.121821641921997,0.5744680762290955,0.5869565010070801,0.5713489055633545,256,16,1.1862728135405334e-05,sum,5,True,True,0.24923825304171893,
+0,uniprot,560,212,0.7253886010362695,0.27461139896373055,54.46428571428571,45.535714285714285,40.56603773584906,59.43396226415094,0.5411764705882353,0.4588235294117647,0,35,0.0,10.357142857142858,24,10,0.7213852405548096,0.551886796951294,0.5777778029441833,0.551886796951294,1.129664659500122,0.4676258862018585,0.7558139562606812,0.6417497396469116,0.6974530220031738,0.47058823704719543,0.47058823704719543,0.47058823704719543,0.9411764740943909,0.5128205418586731,0.43478259444236755,0.5181158781051636,256,16,1.1862728135405334e-05,sum,5,True,True,0.24923825304171893,disabled poi
+0,uniprot,560,212,0.7253886010362695,0.27461139896373055,54.46428571428571,45.535714285714285,40.56603773584906,59.43396226415094,0.5411764705882353,0.4588235294117647,0,35,0.0,10.357142857142858,24,10,0.7609099745750427,0.5943396091461182,0.5943396091461182,0.5943396091461182,1.1886792182922363,0.5,0.7325581312179565,0.6237541437149048,0.9048940539360046,0.4941176474094391,0.5274725556373596,0.4941176474094391,1.021590232849121,0.5333333611488342,0.52173912525177,0.47017836570739746,256,16,1.1862728135405334e-05,sum,5,True,True,0.24923825304171893,disabled cell
+0,uniprot,560,212,0.7253886010362695,0.27461139896373055,54.46428571428571,45.535714285714285,40.56603773584906,59.43396226415094,0.5411764705882353,0.4588235294117647,0,35,0.0,10.357142857142858,24,10,0.7192916870117188,0.6886792182922363,0.6526315808296204,0.6886792182922363,1.341310739517212,0.5961538553237915,0.7209302186965942,0.7427095174789429,0.7171026468276978,0.529411792755127,0.5555555820465088,0.529411792755127,1.0849673748016357,0.5681818127632141,0.54347825050354,0.6385172605514526,256,16,1.1862728135405334e-05,sum,5,True,True,0.24923825304171893,disabled smiles
+0,uniprot,560,212,0.7253886010362695,0.27461139896373055,54.46428571428571,45.535714285714285,40.56603773584906,59.43396226415094,0.5411764705882353,0.4588235294117647,0,35,0.0,10.357142857142858,24,10,0.6901318430900574,0.5943396091461182,0.5274725556373596,0.5943396091461182,1.121812105178833,0.5,0.5581395626068115,0.6326135396957397,0.8971289396286011,0.3764705955982208,0.3764705955982208,0.3764705955982208,0.7529411911964417,0.41025641560554504,0.3478260934352875,0.39437010884284973,256,16,1.1862728135405334e-05,sum,5,True,True,0.24923825304171893,disabled e3 cell
+0,uniprot,560,212,0.7253886010362695,0.27461139896373055,54.46428571428571,45.535714285714285,40.56603773584906,59.43396226415094,0.5411764705882353,0.4588235294117647,0,35,0.0,10.357142857142858,24,10,0.7081143260002136,0.5,0.4952380955219269,0.5,0.9952380657196045,0.4193548262119293,0.604651153087616,0.5635843276977539,0.7645866870880127,0.47058823704719543,0.4303797483444214,0.47058823704719543,0.9009679555892944,0.5151515007019043,0.3695652186870575,0.47185057401657104,256,16,1.1862728135405334e-05,sum,5,True,True,0.24923825304171893,disabled poi e3 cell
+1,uniprot,627,145,0.8121761658031088,0.1878238341968912,51.674641148325364,48.32535885167464,46.206896551724135,53.79310344827586,0.5411764705882353,0.4588235294117647,0,28,0.0,6.698564593301436,27,7,0.6858163475990295,0.5862069129943848,0.5454545617103577,0.5862069129943848,1.1316614151000977,0.5538461804389954,0.5373134613037109,0.6322234869003296,0.9827105402946472,0.42352941632270813,0.37974682450294495,0.42352941632270813,0.8032762408256531,0.4545454680919647,0.32608696818351746,0.4183388948440552,512,16,1.3226373389569757e-05,sum,9,True,True,0.19337222787613398,disabled poi e3 cell
+1,uniprot,627,145,0.8121761658031088,0.1878238341968912,51.674641148325364,48.32535885167464,46.206896551724135,53.79310344827586,0.5411764705882353,0.4588235294117647,0,28,0.0,6.698564593301436,27,7,0.38154587149620056,0.9034482836723328,0.8999999761581421,0.9034482836723328,1.80344820022583,0.8630136847496033,0.9402984976768494,0.9083428978919983,0.783086359500885,0.7176470756530762,0.7272727489471436,0.7176470756530762,1.4449198246002197,0.761904776096344,0.695652186870575,0.71181720495224,512,16,1.3226373389569757e-05,sum,9,True,True,0.19337222787613398,
+1,uniprot,627,145,0.8121761658031088,0.1878238341968912,51.674641148325364,48.32535885167464,46.206896551724135,53.79310344827586,0.5411764705882353,0.4588235294117647,0,28,0.0,6.698564593301436,27,7,0.5508303642272949,0.7793103456497192,0.7647058963775635,0.7793103456497192,1.5440162420272827,0.7536231875419617,0.7761194109916687,0.799081563949585,0.8787249326705933,0.5529412031173706,0.5476190447807312,0.5529412031173706,1.100560188293457,0.6052631735801697,0.5,0.5214604139328003,512,16,1.3226373389569757e-05,sum,9,True,True,0.19337222787613398,disabled poi
+1,uniprot,627,145,0.8121761658031088,0.1878238341968912,51.674641148325364,48.32535885167464,46.206896551724135,53.79310344827586,0.5411764705882353,0.4588235294117647,0,28,0.0,6.698564593301436,27,7,0.47276586294174194,0.8137931227684021,0.8163265585899353,0.8137931227684021,1.6301196813583374,0.75,0.89552241563797,0.8526597619056702,0.8470982909202576,0.43529412150382996,0.4000000059604645,0.43529412150382996,0.8352941274642944,0.47058823704719543,0.3478260934352875,0.4735228419303894,512,16,1.3226373389569757e-05,sum,9,True,True,0.19337222787613398,disabled cell
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reports/cv_report_hparam_search_5-splits_Active_Dmax_0.6_pDC50_6.0_test_split_0.2.csv

@@ -1,36 +1,36 @@
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-1,574,116,0.8318840579710145,0.1681159420289855,52.4390243902439,47.5609756097561,43.103448275862064,56.896551724137936,0,0,0.0,0.0,18,6,0.7130888104438782,0.517241358757019,0.5087719559669495,0.517241358757019,1.0260133743286133,0.453125,0.5799999833106995,0.5578787922859192,0.8489007949829102,0.5808383226394653,0.6634615659713745,0.5808383226394653,1.2442998886108398,0.5655737519264221,0.8023256063461304,0.5690497159957886,512,32,3.7058656442368484e-05,sum,14,True,True,0.41484620945235673,
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-2,556,134,0.8057971014492754,0.19420289855072465,53.597122302158276,46.402877697841724,39.55223880597015,60.447761194029844,0,19,0.0,6.294964028776978,19,5,0.45360836386680603,0.8731343150138855,0.8316831588745117,0.8731343150138855,1.704817533493042,0.875,0.7924528121948242,0.8625670075416565,1.1014257669448853,0.5928143858909607,0.6600000262260437,0.5928143858909607,1.2528144121170044,0.5789473652839661,0.7674418687820435,0.5681883692741394,256,8,0.0001656260589333595,beginning,7,True,True,0.1746074041599417,
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-2,556,134,0.8057971014492754,0.19420289855072465,53.597122302158276,46.402877697841724,39.55223880597015,60.447761194029844,0,19,0.0,6.294964028776978,19,5,0.6946467161178589,0.5522388219833374,0.0625,0.5522388219833374,0.6147388219833374,0.1818181872367859,0.03773584961891174,0.7168647050857544,0.748814582824707,0.5508981943130493,0.4680851101875305,0.5508981943130493,1.0189833641052246,0.6000000238418579,0.38372093439102173,0.5862044095993042,256,8,0.0001656260589333595,beginning,7,True,True,0.1746074041599417,disabled cell
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-2,556,134,0.8057971014492754,0.19420289855072465,53.597122302158276,46.402877697841724,39.55223880597015,60.447761194029844,0,19,0.0,6.294964028776978,19,5,0.6671262383460999,0.5820895433425903,0.31707316637039185,0.5820895433425903,0.8991627097129822,0.4482758641242981,0.24528302252292633,0.5484509468078613,0.7855290174484253,0.4910179674625397,0.37956205010414124,0.4910179674625397,0.8705800175666809,0.5098039507865906,0.302325576543808,0.48313236236572266,256,8,0.0001656260589333595,beginning,7,True,True,0.1746074041599417,disabled poi e3 cell
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-3,531,159,0.7695652173913043,0.23043478260869565,48.96421845574388,51.03578154425612,57.23270440251572,42.76729559748428,0,0,0.0,0.0,19,5,0.6925040483474731,0.6540880799293518,0.7290640473365784,0.6540880799293518,1.3831521272659302,0.6607142686843872,0.8131868243217468,0.646735668182373,0.6783989071846008,0.5868263244628906,0.6532663106918335,0.5868263244628906,1.2400926351547241,0.5752212405204773,0.7558139562606812,0.6069480180740356,256,32,1.332909495778498e-05,concat,15,False,True,0.10319475283951968,
-3,531,159,0.7695652173913043,0.23043478260869565,48.96421845574388,51.03578154425612,57.23270440251572,42.76729559748428,0,0,0.0,0.0,19,5,0.8145725131034851,0.5597484111785889,0.6929824352264404,0.5597484111785889,1.2527308464050293,0.5766423344612122,0.8681318759918213,0.49385905265808105,0.8320401906967163,0.46706587076187134,0.5860465168952942,0.46706587076187134,1.0531123876571655,0.4883720874786377,0.7325581312179565,0.5373241901397705,256,32,1.332909495778498e-05,concat,15,False,True,0.10319475283951968,disabled poi
-3,531,159,0.7695652173913043,0.23043478260869565,48.96421845574388,51.03578154425612,57.23270440251572,42.76729559748428,0,0,0.0,0.0,19,5,0.8101485967636108,0.42767295241355896,0.42767295241355896,0.42767295241355896,0.8553459048271179,0.5,0.37362638115882874,0.43592438101768494,0.708966076374054,0.5568862557411194,0.5978260636329651,0.5568862557411194,1.1547123193740845,0.5612244606018066,0.6395348906517029,0.6137669086456299,256,32,1.332909495778498e-05,concat,15,False,True,0.10319475283951968,disabled cell
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-3,531,159,0.7695652173913043,0.23043478260869565,48.96421845574388,51.03578154425612,57.23270440251572,42.76729559748428,0,0,0.0,0.0,19,5,0.7098714709281921,0.4591194987297058,0.4266666769981384,0.4591194987297058,0.8857861757278442,0.5423728823661804,0.35164836049079895,0.44836780428886414,0.7033076286315918,0.485029935836792,0.5567010045051575,0.485029935836792,1.0417308807373047,0.5,0.6279069781303406,0.48313236236572266,256,32,1.332909495778498e-05,concat,15,False,True,0.10319475283951968,disabled poi e3 cell
-4,581,109,0.8420289855072464,0.15797101449275364,48.364888123924274,51.63511187607573,64.22018348623854,35.77981651376147,0,0,0.0,0.0,21,3,0.7095094323158264,0.5779816508293152,0.6461538672447205,0.5779816508293152,1.2241355180740356,0.699999988079071,0.6000000238418579,0.5309523940086365,0.7647140622138977,0.42514970898628235,0.4606741666793823,0.42514970898628235,0.8858238458633423,0.44565218687057495,0.4767441749572754,0.43389320373535156,512,16,1.4510667949205618e-05,sum,3,True,False,0.3498116843219052,disabled poi e3 cell
-4,581,109,0.8420289855072464,0.15797101449275364,48.364888123924274,51.63511187607573,64.22018348623854,35.77981651376147,0,0,0.0,0.0,21,3,0.6893821358680725,0.4678899049758911,0.4821428656578064,0.4678899049758911,0.9500327706336975,0.6428571343421936,0.3857142925262451,0.5877289175987244,0.6974141001701355,0.49700599908828735,0.5483871102333069,0.49700599908828735,1.0453931093215942,0.5099999904632568,0.5930232405662537,0.4506172835826874,512,16,1.4510667949205618e-05,sum,3,True,False,0.3498116843219052,
-4,581,109,0.8420289855072464,0.15797101449275364,48.364888123924274,51.63511187607573,64.22018348623854,35.77981651376147,0,0,0.0,0.0,21,3,1.0275928974151611,0.38532111048698425,0.1066666692495346,0.38532111048698425,0.49198776483535767,0.800000011920929,0.05714285746216774,0.4038461446762085,0.7979997396469116,0.514970064163208,0.12903225421905518,0.514970064163208,0.6440023183822632,0.8571428656578064,0.06976744532585144,0.4573643207550049,512,16,1.4510667949205618e-05,sum,3,True,False,0.3498116843219052,disabled poi
-4,581,109,0.8420289855072464,0.15797101449275364,48.364888123924274,51.63511187607573,64.22018348623854,35.77981651376147,0,0,0.0,0.0,21,3,0.6124925017356873,0.7247706651687622,0.7761194109916687,0.7247706651687622,1.5008900165557861,0.8125,0.7428571581840515,0.7624542117118835,0.7475801110267639,0.5209580659866333,0.5789473652839661,0.5209580659866333,1.0999054908752441,0.5288461446762085,0.6395348906517029,0.5623744130134583,512,16,1.4510667949205618e-05,sum,3,True,False,0.3498116843219052,disabled cell
-4,581,109,0.8420289855072464,0.15797101449275364,48.364888123924274,51.63511187607573,64.22018348623854,35.77981651376147,0,0,0.0,0.0,21,3,0.8079318404197693,0.4862385392189026,0.48148149251937866,0.4862385392189026,0.9677200317382812,0.6842105388641357,0.37142857909202576,0.6020146608352661,0.7167547941207886,0.5808383226394653,0.6111111044883728,0.5808383226394653,1.1919493675231934,0.585106372833252,0.6395348906517029,0.611972451210022,512,16,1.4510667949205618e-05,sum,3,True,False,0.3498116843219052,disabled smiles
-4,581,109,0.8420289855072464,0.15797101449275364,48.364888123924274,51.63511187607573,64.22018348623854,35.77981651376147,0,0,0.0,0.0,21,3,0.8186831474304199,0.4862385392189026,0.3488371968269348,0.4862385392189026,0.8350757360458374,0.9375,0.2142857164144516,0.6910256147384644,0.8319544792175293,0.46107783913612366,0.3478260934352875,0.46107783913612366,0.8089039325714111,0.4615384638309479,0.27906978130340576,0.4383434057235718,512,16,1.4510667949205618e-05,sum,3,True,False,0.3498116843219052,disabled e3 cell
-4,581,109,0.8420289855072464,0.15797101449275364,48.364888123924274,51.63511187607573,64.22018348623854,35.77981651376147,0,0,0.0,0.0,21,3,0.7095094323158264,0.5779816508293152,0.6461538672447205,0.5779816508293152,1.2241355180740356,0.699999988079071,0.6000000238418579,0.5309523940086365,0.7647140622138977,0.42514970898628235,0.4606741666793823,0.42514970898628235,0.8858238458633423,0.44565218687057495,0.4767441749572754,0.43389320373535156,512,16,1.4510667949205618e-05,sum,3,True,False,0.3498116843219052,disabled poi e3 cell
+fold,split_type,train_len,val_len,train_perc,val_perc,train_active_perc,train_inactive_perc,val_active_perc,val_inactive_perc,test_active_perc,test_inactive_perc,num_leaking_uniprot,num_leaking_smiles,train_leaking_uniprot_perc,train_leaking_smiles_perc,train_unique_groups,val_unique_groups,val_loss,val_acc,val_f1_score,val_hp_metric,val_opt_score,val_precision,val_recall,val_roc_auc,test_loss,test_acc,test_f1_score,test_hp_metric,test_opt_score,test_precision,test_recall,test_roc_auc,hparam_hidden_dim,hparam_batch_size,hparam_learning_rate,hparam_join_embeddings,hparam_smote_k_neighbors,hparam_use_smote,hparam_apply_scaling,hparam_dropout,disabled_embeddings
+0,uniprot,518,172,0.7507246376811594,0.2492753623188406,50.965250965250966,49.034749034749034,50.58139534883721,49.41860465116279,0.5149700598802395,0.48502994011976047,0,19,0.0,3.667953667953668,19,5,0.7174730896949768,0.49418604373931885,0.13861386477947235,0.49418604373931885,0.6327999234199524,0.5,0.08045977354049683,0.5505070686340332,0.7282913327217102,0.46107783913612366,0.3181818127632141,0.46107783913612366,0.7792596817016602,0.45652174949645996,0.24418604373931885,0.48212745785713196,256,16,2.3302458469766154e-05,concat,10,True,False,0.1630814635863299,disabled poi e3 cell
+0,uniprot,518,172,0.7507246376811594,0.2492753623188406,50.965250965250966,49.034749034749034,50.58139534883721,49.41860465116279,0.5149700598802395,0.48502994011976047,0,19,0.0,3.667953667953668,19,5,0.48181989789009094,0.7790697813034058,0.8020833134651184,0.7790697813034058,1.581153154373169,0.7333333492279053,0.8850574493408203,0.8359702229499817,0.7569904923439026,0.514970064163208,0.514970064163208,0.514970064163208,1.029940128326416,0.5308641791343689,0.5,0.5590009093284607,256,16,2.3302458469766154e-05,concat,10,True,False,0.1630814635863299,
+0,uniprot,518,172,0.7507246376811594,0.2492753623188406,50.965250965250966,49.034749034749034,50.58139534883721,49.41860465116279,0.5149700598802395,0.48502994011976047,0,19,0.0,3.667953667953668,19,5,0.7153351306915283,0.569767415523529,0.5888888835906982,0.569767415523529,1.158656358718872,0.5698924660682678,0.6091954112052917,0.632860004901886,0.705253541469574,0.5029940009117126,0.5990338325500488,0.5029940009117126,1.1020278930664062,0.5123966932296753,0.7209302186965942,0.5201693773269653,256,16,2.3302458469766154e-05,concat,10,True,False,0.1630814635863299,disabled poi
+0,uniprot,518,172,0.7507246376811594,0.2492753623188406,50.965250965250966,49.034749034749034,50.58139534883721,49.41860465116279,0.5149700598802395,0.48502994011976047,0,19,0.0,3.667953667953668,19,5,0.6068452596664429,0.6976743936538696,0.7373737096786499,0.6976743936538696,1.4350481033325195,0.6576576828956604,0.8390804529190063,0.694523274898529,0.823367714881897,0.49700599908828735,0.5625,0.49700599908828735,1.0595059394836426,0.5094339847564697,0.6279069781303406,0.5171547532081604,256,16,2.3302458469766154e-05,concat,10,True,False,0.1630814635863299,disabled cell
+0,uniprot,518,172,0.7507246376811594,0.2492753623188406,50.965250965250966,49.034749034749034,50.58139534883721,49.41860465116279,0.5149700598802395,0.48502994011976047,0,19,0.0,3.667953667953668,19,5,0.5396324396133423,0.7267441749572754,0.7813953757286072,0.7267441749572754,1.5081396102905273,0.65625,0.9655172228813171,0.8406355381011963,0.8087369203567505,0.56886225938797,0.6363636255264282,0.56886225938797,1.205225944519043,0.5625,0.7325581312179565,0.5933821201324463,256,16,2.3302458469766154e-05,concat,10,True,False,0.1630814635863299,disabled smiles
+0,uniprot,518,172,0.7507246376811594,0.2492753623188406,50.965250965250966,49.034749034749034,50.58139534883721,49.41860465116279,0.5149700598802395,0.48502994011976047,0,19,0.0,3.667953667953668,19,5,0.6079318523406982,0.6220930218696594,0.6285714507102966,0.6220930218696594,1.250664472579956,0.625,0.6321839094161987,0.7345502972602844,0.8624787330627441,0.46107783913612366,0.45121949911117554,0.46107783913612366,0.9122973680496216,0.4743589758872986,0.43023255467414856,0.4717915654182434,256,16,2.3302458469766154e-05,concat,10,True,False,0.1630814635863299,disabled e3 cell
+0,uniprot,518,172,0.7507246376811594,0.2492753623188406,50.965250965250966,49.034749034749034,50.58139534883721,49.41860465116279,0.5149700598802395,0.48502994011976047,0,19,0.0,3.667953667953668,19,5,0.7174730896949768,0.49418604373931885,0.13861386477947235,0.49418604373931885,0.6327999234199524,0.5,0.08045977354049683,0.5505070686340332,0.7282913327217102,0.46107783913612366,0.3181818127632141,0.46107783913612366,0.7792596817016602,0.45652174949645996,0.24418604373931885,0.48212745785713196,256,16,2.3302458469766154e-05,concat,10,True,False,0.1630814635863299,disabled poi e3 cell
+1,uniprot,574,116,0.8318840579710145,0.1681159420289855,52.4390243902439,47.5609756097561,43.103448275862064,56.896551724137936,0.5149700598802395,0.48502994011976047,0,0,0.0,0.0,18,6,0.7288892269134521,0.5258620977401733,0.5454545617103577,0.5258620977401733,1.0713167190551758,0.4647887349128723,0.6600000262260437,0.5436363816261292,0.7159250974655151,0.4491018056869507,0.4888888895511627,0.4491018056869507,0.937990665435791,0.4680851101875305,0.5116279125213623,0.447315514087677,256,32,6.342131182274154e-05,sum,12,False,True,0.47052281342749736,disabled poi e3 cell
+1,uniprot,574,116,0.8318840579710145,0.1681159420289855,52.4390243902439,47.5609756097561,43.103448275862064,56.896551724137936,0.5149700598802395,0.48502994011976047,0,0,0.0,0.0,18,6,0.6803765296936035,0.6379310488700867,0.6440678238868713,0.6379310488700867,1.281998872756958,0.5588235259056091,0.7599999904632568,0.6296969652175903,0.833993673324585,0.5928143858909607,0.6761904954910278,0.5928143858909607,1.2690048217773438,0.5725806355476379,0.8255813717842102,0.5925925970077515,256,32,6.342131182274154e-05,sum,12,False,True,0.47052281342749736,
+1,uniprot,574,116,0.8318840579710145,0.1681159420289855,52.4390243902439,47.5609756097561,43.103448275862064,56.896551724137936,0.5149700598802395,0.48502994011976047,0,0,0.0,0.0,18,6,0.7007375955581665,0.5948275923728943,0.5688073635101318,0.5948275923728943,1.163635015487671,0.5254237055778503,0.6200000047683716,0.6260606050491333,0.8431820273399353,0.46107783913612366,0.550000011920929,0.46107783913612366,1.011077880859375,0.48245614767074585,0.6395348906517029,0.4955497980117798,256,32,6.342131182274154e-05,sum,12,False,True,0.47052281342749736,disabled poi
+1,uniprot,574,116,0.8318840579710145,0.1681159420289855,52.4390243902439,47.5609756097561,43.103448275862064,56.896551724137936,0.5149700598802395,0.48502994011976047,0,0,0.0,0.0,18,6,0.7436908483505249,0.5344827771186829,0.47058823704719543,0.5344827771186829,1.0050710439682007,0.4615384638309479,0.47999998927116394,0.5074242353439331,0.7293317317962646,0.49700599908828735,0.5531914830207825,0.49700599908828735,1.0501974821090698,0.5098039507865906,0.604651153087616,0.5027993321418762,256,32,6.342131182274154e-05,sum,12,False,True,0.47052281342749736,disabled cell
+1,uniprot,574,116,0.8318840579710145,0.1681159420289855,52.4390243902439,47.5609756097561,43.103448275862064,56.896551724137936,0.5149700598802395,0.48502994011976047,0,0,0.0,0.0,18,6,0.7024935483932495,0.5,0.3695652186870575,0.5,0.8695652484893799,0.4047619104385376,0.3400000035762787,0.5692424178123474,0.762819766998291,0.538922131061554,0.5745856165885925,0.538922131061554,1.1135077476501465,0.5473684072494507,0.604651153087616,0.5778782367706299,256,32,6.342131182274154e-05,sum,12,False,True,0.47052281342749736,disabled smiles
+1,uniprot,574,116,0.8318840579710145,0.1681159420289855,52.4390243902439,47.5609756097561,43.103448275862064,56.896551724137936,0.5149700598802395,0.48502994011976047,0,0,0.0,0.0,18,6,0.7174515128135681,0.5,0.4423076808452606,0.5,0.942307710647583,0.42592594027519226,0.46000000834465027,0.46378785371780396,0.7473962306976318,0.46107783913612366,0.47058823704719543,0.46107783913612366,0.9316660761833191,0.4761904776096344,0.4651162922382355,0.4855727553367615,256,32,6.342131182274154e-05,sum,12,False,True,0.47052281342749736,disabled e3 cell
+1,uniprot,574,116,0.8318840579710145,0.1681159420289855,52.4390243902439,47.5609756097561,43.103448275862064,56.896551724137936,0.5149700598802395,0.48502994011976047,0,0,0.0,0.0,18,6,0.7288892269134521,0.5258620977401733,0.5454545617103577,0.5258620977401733,1.0713167190551758,0.4647887349128723,0.6600000262260437,0.5436363816261292,0.7159250974655151,0.4491018056869507,0.4888888895511627,0.4491018056869507,0.937990665435791,0.4680851101875305,0.5116279125213623,0.447315514087677,256,32,6.342131182274154e-05,sum,12,False,True,0.47052281342749736,disabled poi e3 cell
+2,uniprot,556,134,0.8057971014492754,0.19420289855072465,53.597122302158276,46.402877697841724,39.55223880597015,60.447761194029844,0.5149700598802395,0.48502994011976047,0,19,0.0,6.294964028776978,19,5,0.6794896125793457,0.641791045665741,0.47826087474823,0.641791045665741,1.1200518608093262,0.5641025900840759,0.4150943458080292,0.6972979307174683,0.6978184580802917,0.46706587076187134,0.44025155901908875,0.46706587076187134,0.9073173999786377,0.4794520437717438,0.40697672963142395,0.4407837986946106,512,8,1.35532477624785e-05,sum,9,True,True,0.2789725886176532,disabled poi e3 cell
+2,uniprot,556,134,0.8057971014492754,0.19420289855072465,53.597122302158276,46.402877697841724,39.55223880597015,60.447761194029844,0.5149700598802395,0.48502994011976047,0,19,0.0,6.294964028776978,19,5,0.45820537209510803,0.8208954930305481,0.75,0.8208954930305481,1.5708954334259033,0.8372092843055725,0.6792452931404114,0.872583270072937,1.0918422937393188,0.56886225938797,0.6129032373428345,0.56886225938797,1.1817655563354492,0.5699999928474426,0.6627907156944275,0.600631594657898,512,8,1.35532477624785e-05,sum,9,True,True,0.2789725886176532,
+2,uniprot,556,134,0.8057971014492754,0.19420289855072465,53.597122302158276,46.402877697841724,39.55223880597015,60.447761194029844,0.5149700598802395,0.48502994011976047,0,19,0.0,6.294964028776978,19,5,0.7354412078857422,0.4701492488384247,0.4661654233932495,0.4701492488384247,0.9363147020339966,0.38749998807907104,0.5849056839942932,0.5506638884544373,0.7296605110168457,0.49700599908828735,0.4939759075641632,0.49700599908828735,0.990981936454773,0.512499988079071,0.4767441749572754,0.5360321998596191,512,8,1.35532477624785e-05,sum,9,True,True,0.2789725886176532,disabled poi
+2,uniprot,556,134,0.8057971014492754,0.19420289855072465,53.597122302158276,46.402877697841724,39.55223880597015,60.447761194029844,0.5149700598802395,0.48502994011976047,0,19,0.0,6.294964028776978,19,5,0.6661760210990906,0.5149253606796265,0.47154471278190613,0.5149253606796265,0.986470103263855,0.41428571939468384,0.5471698045730591,0.5861868262290955,0.7076048851013184,0.5568862557411194,0.6407766938209534,0.5568862557411194,1.1976629495620728,0.550000011920929,0.7674418687820435,0.6163508892059326,512,8,1.35532477624785e-05,sum,9,True,True,0.2789725886176532,disabled cell
+2,uniprot,556,134,0.8057971014492754,0.19420289855072465,53.597122302158276,46.402877697841724,39.55223880597015,60.447761194029844,0.5149700598802395,0.48502994011976047,0,19,0.0,6.294964028776978,19,5,0.4292914867401123,0.8507462739944458,0.7777777910232544,0.8507462739944458,1.6285240650177002,0.9459459185600281,0.6603773832321167,0.8711857199668884,0.8857823014259338,0.57485032081604,0.6203208565711975,0.57485032081604,1.1951711177825928,0.5742574334144592,0.6744186282157898,0.6060149669647217,512,8,1.35532477624785e-05,sum,9,True,True,0.2789725886176532,disabled smiles
+2,uniprot,556,134,0.8057971014492754,0.19420289855072465,53.597122302158276,46.402877697841724,39.55223880597015,60.447761194029844,0.5149700598802395,0.48502994011976047,0,19,0.0,6.294964028776978,19,5,0.6579882502555847,0.5373134613037109,0.06060606241226196,0.5373134613037109,0.5979195237159729,0.1538461595773697,0.03773584961891174,0.6660842895507812,0.7808316946029663,0.46107783913612366,0.4444444477558136,0.46107783913612366,0.9055222868919373,0.4736842215061188,0.41860464215278625,0.48743894696235657,512,8,1.35532477624785e-05,sum,9,True,True,0.2789725886176532,disabled e3 cell
+2,uniprot,556,134,0.8057971014492754,0.19420289855072465,53.597122302158276,46.402877697841724,39.55223880597015,60.447761194029844,0.5149700598802395,0.48502994011976047,0,19,0.0,6.294964028776978,19,5,0.6794896125793457,0.641791045665741,0.47826087474823,0.641791045665741,1.1200518608093262,0.5641025900840759,0.4150943458080292,0.6972979307174683,0.6978184580802917,0.46706587076187134,0.44025155901908875,0.46706587076187134,0.9073173999786377,0.4794520437717438,0.40697672963142395,0.4407837986946106,512,8,1.35532477624785e-05,sum,9,True,True,0.2789725886176532,disabled poi e3 cell
+3,uniprot,531,159,0.7695652173913043,0.23043478260869565,48.96421845574388,51.03578154425612,57.23270440251572,42.76729559748428,0.5149700598802395,0.48502994011976047,0,0,0.0,0.0,19,5,0.7518542408943176,0.3899371027946472,0.28148147463798523,0.3899371027946472,0.6714185476303101,0.4318181872367859,0.20879121124744415,0.3611021339893341,0.6964150071144104,0.514970064163208,0.3909774422645569,0.514970064163208,0.9059475064277649,0.5531914830207825,0.302325576543808,0.5588573217391968,768,32,1.0007406360245575e-05,concat,10,True,False,0.11896366443648115,disabled poi e3 cell
+3,uniprot,531,159,0.7695652173913043,0.23043478260869565,48.96421845574388,51.03578154425612,57.23270440251572,42.76729559748428,0.5149700598802395,0.48502994011976047,0,0,0.0,0.0,19,5,0.693130612373352,0.5849056839942932,0.6796116232872009,0.5849056839942932,1.2645173072814941,0.6086956262588501,0.7692307829856873,0.5866192579269409,0.6817607283592224,0.57485032081604,0.6395938992500305,0.57485032081604,1.2144441604614258,0.5675675868988037,0.7325581312179565,0.5994832515716553,768,32,1.0007406360245575e-05,concat,10,True,False,0.11896366443648115,
+3,uniprot,531,159,0.7695652173913043,0.23043478260869565,48.96421845574388,51.03578154425612,57.23270440251572,42.76729559748428,0.5149700598802395,0.48502994011976047,0,0,0.0,0.0,19,5,0.7868107557296753,0.5723270177841187,0.6964285969734192,0.5723270177841187,1.2687556743621826,0.5864661931991577,0.8571428656578064,0.4869101643562317,0.8022510409355164,0.4790419042110443,0.6027397513389587,0.4790419042110443,1.0817816257476807,0.49624061584472656,0.7674418687820435,0.549095630645752,768,32,1.0007406360245575e-05,concat,10,True,False,0.11896366443648115,disabled poi
+3,uniprot,531,159,0.7695652173913043,0.23043478260869565,48.96421845574388,51.03578154425612,57.23270440251572,42.76729559748428,0.5149700598802395,0.48502994011976047,0,0,0.0,0.0,19,5,0.8134657144546509,0.5157232880592346,0.5882353186607361,0.5157232880592346,1.1039586067199707,0.5729166865348816,0.6043956279754639,0.43204590678215027,0.731482207775116,0.56886225938797,0.6504854559898376,0.56886225938797,1.2193477153778076,0.5583333373069763,0.7790697813034058,0.6143410801887512,768,32,1.0007406360245575e-05,concat,10,True,False,0.11896366443648115,disabled cell
+3,uniprot,531,159,0.7695652173913043,0.23043478260869565,48.96421845574388,51.03578154425612,57.23270440251572,42.76729559748428,0.5149700598802395,0.48502994011976047,0,0,0.0,0.0,19,5,0.7746338844299316,0.44025155901908875,0.46060606837272644,0.44025155901908875,0.9008576273918152,0.5135135054588318,0.4175824224948883,0.5265836715698242,0.7525109052658081,0.56886225938797,0.6086956262588501,0.56886225938797,1.1775579452514648,0.5714285969734192,0.6511628031730652,0.6248205900192261,768,32,1.0007406360245575e-05,concat,10,True,False,0.11896366443648115,disabled smiles
+3,uniprot,531,159,0.7695652173913043,0.23043478260869565,48.96421845574388,51.03578154425612,57.23270440251572,42.76729559748428,0.5149700598802395,0.48502994011976047,0,0,0.0,0.0,19,5,0.7098957300186157,0.402515709400177,0.4378698170185089,0.402515709400177,0.8403855562210083,0.4743589758872986,0.4065934121608734,0.4080478250980377,0.7146878838539124,0.5029940009117126,0.4779874086380005,0.5029940009117126,0.9809814095497131,0.5205479264259338,0.44186046719551086,0.5276342630386353,768,32,1.0007406360245575e-05,concat,10,True,False,0.11896366443648115,disabled e3 cell
+3,uniprot,531,159,0.7695652173913043,0.23043478260869565,48.96421845574388,51.03578154425612,57.23270440251572,42.76729559748428,0.5149700598802395,0.48502994011976047,0,0,0.0,0.0,19,5,0.7518542408943176,0.3899371027946472,0.28148147463798523,0.3899371027946472,0.6714185476303101,0.4318181872367859,0.20879121124744415,0.3611021339893341,0.6964150071144104,0.514970064163208,0.3909774422645569,0.514970064163208,0.9059475064277649,0.5531914830207825,0.302325576543808,0.5588573217391968,768,32,1.0007406360245575e-05,concat,10,True,False,0.11896366443648115,disabled poi e3 cell
+4,uniprot,581,109,0.8420289855072464,0.15797101449275364,48.364888123924274,51.63511187607573,64.22018348623854,35.77981651376147,0.5149700598802395,0.48502994011976047,0,0,0.0,0.0,21,3,0.821151614189148,0.40366971492767334,0.3689320385456085,0.40366971492767334,0.7726017236709595,0.5757575631141663,0.27142858505249023,0.502380907535553,0.8567180633544922,0.46706587076187134,0.3206106722354889,0.46706587076187134,0.7876765727996826,0.46666666865348816,0.24418604373931885,0.4581539034843445,512,16,1.0987892662179087e-05,sum,5,True,False,0.24541120873419606,disabled poi e3 cell
+4,uniprot,581,109,0.8420289855072464,0.15797101449275364,48.364888123924274,51.63511187607573,64.22018348623854,35.77981651376147,0.5149700598802395,0.48502994011976047,0,0,0.0,0.0,21,3,0.6921398043632507,0.4678899049758911,0.38297873735427856,0.4678899049758911,0.8508686423301697,0.75,0.2571428716182709,0.6357142925262451,0.6977493762969971,0.443113774061203,0.3921568691730499,0.443113774061203,0.8352706432342529,0.447761207818985,0.3488371968269348,0.4575078785419464,512,16,1.0987892662179087e-05,sum,5,True,False,0.24541120873419606,
+4,uniprot,581,109,0.8420289855072464,0.15797101449275364,48.364888123924274,51.63511187607573,64.22018348623854,35.77981651376147,0.5149700598802395,0.48502994011976047,0,0,0.0,0.0,21,3,0.8941754698753357,0.40366971492767334,0.43478259444236755,0.40366971492767334,0.8384523391723633,0.5555555820465088,0.3571428656578064,0.4137362539768219,0.7334728240966797,0.46107783913612366,0.4767441749572754,0.46107783913612366,0.9378219842910767,0.4767441749572754,0.4767441749572754,0.47803616523742676,512,16,1.0987892662179087e-05,sum,5,True,False,0.24541120873419606,disabled poi
+4,uniprot,581,109,0.8420289855072464,0.15797101449275364,48.364888123924274,51.63511187607573,64.22018348623854,35.77981651376147,0.5149700598802395,0.48502994011976047,0,0,0.0,0.0,21,3,0.7923731803894043,0.4954128563404083,0.42105263471603394,0.4954128563404083,0.9164655208587646,0.800000011920929,0.2857142984867096,0.7657508850097656,0.8345628380775452,0.514970064163208,0.4000000059604645,0.514970064163208,0.9149700403213501,0.5510203838348389,0.3139534890651703,0.536391019821167,512,16,1.0987892662179087e-05,sum,5,True,False,0.24541120873419606,disabled cell
+4,uniprot,581,109,0.8420289855072464,0.15797101449275364,48.364888123924274,51.63511187607573,64.22018348623854,35.77981651376147,0.5149700598802395,0.48502994011976047,0,0,0.0,0.0,21,3,0.8378658294677734,0.4862385392189026,0.48148149251937866,0.4862385392189026,0.9677200317382812,0.6842105388641357,0.37142857909202576,0.595787525177002,0.7141044735908508,0.6107784509658813,0.6242774724960327,0.6107784509658813,1.235055923461914,0.6206896305084229,0.6279069781303406,0.6230261325836182,512,16,1.0987892662179087e-05,sum,5,True,False,0.24541120873419606,disabled smiles
+4,uniprot,581,109,0.8420289855072464,0.15797101449275364,48.364888123924274,51.63511187607573,64.22018348623854,35.77981651376147,0.5149700598802395,0.48502994011976047,0,0,0.0,0.0,21,3,0.683878481388092,0.5504587292671204,0.5504587292671204,0.5504587292671204,1.1009174585342407,0.7692307829856873,0.4285714328289032,0.6994505524635315,0.868337869644165,0.4491018056869507,0.4523809552192688,0.4491018056869507,0.9014827609062195,0.46341463923454285,0.44186046719551086,0.4561441242694855,512,16,1.0987892662179087e-05,sum,5,True,False,0.24541120873419606,disabled e3 cell
+4,uniprot,581,109,0.8420289855072464,0.15797101449275364,48.364888123924274,51.63511187607573,64.22018348623854,35.77981651376147,0.5149700598802395,0.48502994011976047,0,0,0.0,0.0,21,3,0.821151614189148,0.40366971492767334,0.3689320385456085,0.40366971492767334,0.7726017236709595,0.5757575631141663,0.27142858505249023,0.502380907535553,0.8567180633544922,0.46706587076187134,0.3206106722354889,0.46706587076187134,0.7876765727996826,0.46666666865348816,0.24418604373931885,0.4581539034843445,512,16,1.0987892662179087e-05,sum,5,True,False,0.24541120873419606,disabled poi e3 cell