MAterials Simulation Toolkit for Machine Learning (MAST-ML)
Acknowledgements
MAST-ML version 3.x
New changes to MAST-ML
Installing MAST-ML
Hardware and Data Requirements
Hardware
Data
Terminal installation (Linux or linux-like terminal environment e.g. Mac)
Install Python3
Create a conda environment (if using Anaconda)
Create a virtualenv environment (if not using Anaconda)
Install the MAST-ML package via PyPi
Install the MAST-ML package via Git
Set up Juptyer notebooks
Imports that don’t work
Windows installation
Install Python3
Create a conda environment
Set up the Spyder IDE and Jupyter notebooks
Install the MAST-ML package
Imports that don’t work
Windows 10 install: step-by-step guide (credit Joe Kern)
Getting Started with MAST-ML
Installing MAST-ML
Performing your first MAST-ML run
Overview of MAST-ML tutorials and examples
MAST-ML tutorials
Code Documentation: Data Cleaning
mastml.data_cleaning Module
Classes
DataCleaning
DataUtilities
PPCA
Class Inheritance Diagram
Code Documentation: Data Splitters
mastml.data_splitters Module
Functions
flatten_split_summary
Classes
BaseSplitter
Bootstrap
JustEachGroup
LeaveCloseCompositionsOut
LeaveMultiGroupOut
LeaveOutClusterCV
LeaveOutPercent
LeaveOutTwinCV
NoSplit
SklearnDataSplitter
Class Inheritance Diagram
Code Documentation: Datasets
mastml.datasets Module
Classes
FigshareDatasets
FoundryDatasets
LocalDatasets
MatminerDatasets
SklearnDatasets
Class Inheritance Diagram
Code Documentation: Error Analysis
mastml.error_analysis Module
Classes
CorrectionFactors
ErrorUtils
Class Inheritance Diagram
Code Documentation: Feature Generators
mastml.feature_generators Module
Functions
make_composition
Classes
BaseGenerator
CBFVGenerator
DataframeUtilities
DeepChemFeatureGenerator
ElementalFeatureGenerator
ElementalFeatureGenerator_Extra
ElementalFractionGenerator
MaterialsProjectFeatureGenerator
MatminerFeatureGenerator
OneHotElementGenerator
OneHotGroupGenerator
PolynomialFeatureGenerator
Class Inheritance Diagram
Code Documentation: Feature Selectors
mastml.feature_selectors Module
Functions
selected_features_correlation
Classes
BaseSelector
EnsembleModelFeatureSelector
MASTMLFeatureSelector
NoSelect
PearsonSelector
ShapFeatureSelector
SklearnFeatureSelector
Class Inheritance Diagram
Code Documentation: Hyperparameter Optimization
mastml.hyper_opt Module
Classes
BayesianSearch
GridSearch
HyperOptUtils
RandomizedSearch
Class Inheritance Diagram
Code Documentation: Learning Curve
mastml.learning_curve Module
Classes
LearningCurve
Class Inheritance Diagram
Code Documentation: Mastml
mastml.mastml Module
Functions
parallel
write_requirements
Classes
Mastml
NumpyEncoder
Class Inheritance Diagram
Code Documentation: Metrics
mastml.metrics Module
Functions
r2_score_adjusted
r2_score_fitted
r2_score_noint
rmse_over_stdev
root_mean_squared_error
Classes
Metrics
Class Inheritance Diagram
Code Documentation: Models
mastml.models Module
Classes
CrabNetModel
EnsembleModel
HostedModel
KANModel
SklearnModel
SourceNN
Transfer
model_wrapper
Class Inheritance Diagram
Code Documentation: Plots
mastml.plots Module
Functions
check_dimensions
get_divisor
make_axis_same
make_fig_ax
make_fig_ax_square
make_plots
nice_mean
nice_names
nice_range
nice_std
plot_avg_score_vs_occurrence
plot_feature_occurrence
plot_stats
recursive_max
recursive_max_and_min
recursive_min
reset_index
round_down
round_up
rounder
stat_to_string
trim_array
Classes
Classification
Error
Histogram
Line
Scatter
Class Inheritance Diagram
Code Documentation: Preprocessing
mastml.preprocessing Module
Classes
BasePreprocessor
MeanStdevScaler
NoPreprocessor
SklearnPreprocessor
Class Inheritance Diagram
Code Documentation: Baseline Tests
mastml.baseline_tests Module
Classes
Baseline_tests
Class Inheritance Diagram
Code Documentation: MAST-ML Predictor
mastml.mastml_predictor Module
Functions
make_prediction
make_prediction_dlhub
make_prediction_dlhub_OLD
Code Documentation: Domain
mastml.domain Module
Classes
Domain
Class Inheritance Diagram
MAterials Simulation Toolkit for Machine Learning (MAST-ML)
Code Documentation: Feature Generators
make_composition
View page source
make_composition
mastml.feature_generators.
make_composition
(
composition_string
)
[source]