From a0f03fcfb9bcf81712370577f7b6ad444d758ce2 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Tiago=20W=C3=BCrthner?= Date: Wed, 29 May 2024 15:33:53 +0000 Subject: [PATCH] Added metrics csv with 100 200 and 500 max_evals --- metrics/multi_evals/results_multi_target.csv | 351 ++++++++++++++++++ metrics/multi_evals/results_one_target.csv | 161 ++++++++ metrics/results_baselines.csv | 25 ++ .../results_multi_target.csv | 351 ++++++++++++++++++ .../results_one_target.csv | 161 ++++++++ 5 files changed, 1049 insertions(+) create mode 100644 metrics/multi_evals/results_multi_target.csv create mode 100644 metrics/multi_evals/results_one_target.csv create mode 100644 metrics/results_baselines.csv create mode 100644 metrics_100_200_500evals/results_multi_target.csv create mode 100644 metrics_100_200_500evals/results_one_target.csv diff --git a/metrics/multi_evals/results_multi_target.csv b/metrics/multi_evals/results_multi_target.csv new file mode 100644 index 0000000..8fbd895 --- /dev/null +++ b/metrics/multi_evals/results_multi_target.csv @@ -0,0 +1,351 @@ +target,model_targets,model,nmr_only,dataset_fraction,max_evals,accuracy_mean,accuracy_lb,accuracy_hb,f1_mean,f1_lb,f1_hb +metal,"['metal', 'E_ligand']",random_forest,True,0.01,100,0.8287419918462435,0.8210996705093634,0.8363843131831237,0.8278446576729023,0.8203170391775388,0.8353722761682657 +E_ligand,"['metal', 'E_ligand']",random_forest,True,0.01,100,0.3172684915550379,0.3085119234310827,0.3260250596789931,0.2508097925419458,0.2430406923239674,0.2585788927599241 +metal,"['metal', 'E_ligand']",random_forest,True,0.01,100,0.83407105416424,0.8265326906315056,0.8416094176969744,0.8339029626685999,0.8264978579236082,0.8413080674135915 +E_ligand,"['metal', 'E_ligand']",random_forest,True,0.01,100,0.3126092020966802,0.3053375138728879,0.3198808903204725,0.256009157756658,0.2483072265564097,0.2637110889569063 +metal,"['metal', 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b/metrics_100_200_500evals/results_one_target.csv new file mode 100644 index 0000000..b73b59b --- /dev/null +++ b/metrics_100_200_500evals/results_one_target.csv @@ -0,0 +1,161 @@ +target,model_targets,model,nmr_only,dataset_fraction,max_evals,accuracy_mean,accuracy_lb,accuracy_hb,f1_mean,f1_lb,f1_hb +metal,['metal'],random_forest,True,0.01,100,0.8315958066394875,0.8240451403660632,0.8391464729129118,0.8308092256134781,0.8233661278671809,0.8382523233597754 +metal,['metal'],random_forest,True,0.1,100,0.840768782760629,0.8340919764362617,0.8474455890849965,0.8408222960452238,0.834150299835371,0.8474942922550767 +metal,['metal'],random_forest,True,0.5,100,0.8404775771694816,0.8309243742368422,0.850030780102121,0.8403347551019017,0.8308507584364284,0.849818751767375 +metal,['metal'],random_forest,True,1.0,100,0.8396330809551543,0.8295977914667856,0.8496683704435231,0.8394940076997439,0.8295302242697479,0.84945779112974 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