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scripts/ProteinGym_runs/results/dca_esm_and_hybrid_opt_results.csv

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@@ -18,3 +18,5 @@ No.,Dataset,N_Variants,N_Max_Muts,Untrained_Performance_DCA,Untrained_Performanc
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17,BLAT_ECOLX_Firnberg_2014,4783,1,0.6818524588213557,0.6462387634886817,0.7525731020182287,0.6805314236831763,0.6878153516010589,0.7701357985033481,0.6799222204610177,0.7455600348412427,0.7970177401478037,0.6821779769083106,0.8360173703157768,0.837693654040833,4783,4683,4583,3783,2889
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18,BLAT_ECOLX_Jacquier_2013,989,1,0.6799982280150232,0.6237508257766817,0.6592557311751726,0.6854640399167611,0.6550906439100204,0.7363654446471105,0.6877244101028306,nan,0.7089816880461243,nan,nan,nan,989,889,789,nan,688
2020
19,BLAT_ECOLX_Stiffler_2015,4996,1,0.6770558216510012,0.6416832584219534,0.7429704711839445,0.6761612638022167,0.685911619948229,0.7751083097115732,0.6749771506378947,0.7252465085238093,0.7968744412838603,0.6726389518173735,0.8325185048951383,0.8455668050428576,4996,4896,4796,3996,2971
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22,C6KNH7_9INFA_Lee_2018,10754,1,0.3791927566837183,0.3984720325442061,0.4330097365766406,0.37927109617574484,0.4205973198021492,0.47614637594052095,0.37986754538383266,0.46189131088601726,0.5281422521011082,0.3809479497535896,0.6309329101735078,0.6563769817443349,10754,10654,10554,9754,7614
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23,CALM1_HUMAN_Weile_2017,1813,1,0.1880116162650222,0.2459920642821527,0.19559402966288597,0.1828819344684797,0.24219842101559685,0.20088084724409896,0.18328280019998686,0.2574374437011387,0.2037934116873545,0.1735381577792808,0.2449077778119384,0.20200836495394978,1813,1713,1613,813,1291

scripts/ProteinGym_runs/run_performance_tests_proteingym_hybrid_dca_llm.py

Lines changed: 1 addition & 2 deletions
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@@ -65,8 +65,7 @@ def compute_performances(mut_data, mut_sep=':', start_i: int = 0, already_tested
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plt.figure(figsize=(40, 12))
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numbers_of_datasets = [i + 1 for i in range(len(mut_data.keys()))]
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for i, (dset_key, dset_paths) in enumerate(mut_data.items()):
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if i >= start_i and i not in already_tested_is and i != 19: # i > 3 and i <21: #i == 18 - 1:
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# Skipping 20 BRCA1_HUMAN_Findlay_2018 due to LLM RunTimeErros
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if i >= start_i and i not in already_tested_is: # i > 3 and i <21: #i == 18 - 1:
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start_time = time.time()
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print(f'\n{i+1}/{len(mut_data.items())}\n'
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f'===============================================================')

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