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BMG_Vanessa_tl.conf
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BMG_Vanessa_tl.conf
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# You run this with
# python3 -m mastml.mastml_driver tests/conf/BMG_Vanessa.conf tests/csv/bmg_tl.csv -o results/Tl_test
[GeneralSetup]
input_features = Auto
target_feature = PROPERTY: Tl (K)
randomizer = False
metrics = Auto
not_input_features = formula, Ag,Cu,Zr,Ca,Al,Co,Mg,Sr,La,Ni,Y,Au,Pd,Si,Ge,Be,Zn,Ga,Ce,Fe,B,Nb,Ta,Cr,Mo,C,Er,Ti,Hf,Sn,Dy,P,Tm,Gd,Ho,Nd,Pr,Tb,Pt,Sc,Sm
grouping_feature = formula
#validation_columns = None
[DataCleaning]
cleaning_method = remove
[FeatureGeneration]
[FeatureNormalization]
[[StandardScaler]]
[DataSplits]
# [[LeaveOneOut]]
[[RepeatedKFold]]
n_splits = 3
n_repeats = 2
[[LeaveOneGroupOut_Ag]]
grouping_column = Ag
[[LeaveOneGroupOut_Cu]]
grouping_column = Cu
[[LeaveOneGroupOut_Zr]]
grouping_column = Zr
[[LeaveOneGroupOut_Ca]]
grouping_column = Ca
[[LeaveOneGroupOut_Al]]
grouping_column = Al
[[LeaveOneGroupOut_Co]]
grouping_column = Co
[[LeaveOneGroupOut_Mg]]
grouping_column = Mg
[[LeaveOneGroupOut_Sr]]
grouping_column = Sr
[[LeaveOneGroupOut_La]]
grouping_column = La
[[LeaveOneGroupOut_Ni]]
grouping_column = Ni
[[LeaveOneGroupOut_Y]]
grouping_column = Y
[[LeaveOneGroupOut_Au]]
grouping_column = Au
[[LeaveOneGroupOut_Pd]]
grouping_column = Pd
[[LeaveOneGroupOut_Si]]
grouping_column = Si
[[LeaveOneGroupOut_Ge]]
grouping_column = Ge
[[LeaveOneGroupOut_Be]]
grouping_column = Be
[[LeaveOneGroupOut_Zn]]
grouping_column = Zn
[[LeaveOneGroupOut_Ga]]
grouping_column = Ga
[[LeaveOneGroupOut_Ce]]
grouping_column = Ce
[[LeaveOneGroupOut_Fe]]
grouping_column = Fe
[[LeaveOneGroupOut_B]]
grouping_column = B
[[LeaveOneGroupOut_Nb]]
grouping_column = Nb
[[LeaveOneGroupOut_Ta]]
grouping_column = Ta
[[LeaveOneGroupOut_Cr]]
grouping_column = Cr
[[LeaveOneGroupOut_Mo]]
grouping_column = Mo
[[LeaveOneGroupOut_C]]
grouping_column = C
[[LeaveOneGroupOut_Er]]
grouping_column = Er
[[LeaveOneGroupOut_Ti]]
grouping_column = Ti
[[LeaveOneGroupOut_Hf]]
grouping_column = Hf
[[LeaveOneGroupOut_Sn]]
grouping_column = Sn
[[LeaveOneGroupOut_Dy]]
grouping_column = Dy
[[LeaveOneGroupOut_P]]
grouping_column = P
[[LeaveOneGroupOut_Tm]]
grouping_column = Tm
[[LeaveOneGroupOut_Gd]]
grouping_column = Gd
[[LeaveOneGroupOut_Ho]]
grouping_column = Ho
[[LeaveOneGroupOut_Nd]]
grouping_column = Nd
[[LeaveOneGroupOut_Pr]]
grouping_column = Pr
[[LeaveOneGroupOut_Tb]]
grouping_column = Tb
[[LeaveOneGroupOut_Pt]]
grouping_column = Pt
[[LeaveOneGroupOut_Sc]]
grouping_column = Sc
[[LeaveOneGroupOut_Sm]]
grouping_column = Sm
[Models]
[[RandomForestRegressor]]
criterion = mse
max_depth = 10
max_leaf_nodes = 200
min_samples_leaf = 1
min_samples_split = 2
n_estimators = 100
n_jobs = 1
warm_start = False
[PlotSettings]
target_histogram = True
train_test_plots = True
predicted_vs_true = True
predicted_vs_true_bars = True
best_worst_per_point = True
feature_vs_target = False