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Introduction
Getting Started
Examples
Using element and species classes
Using filter
Using validity
Building lists
Using oxidation states
Using compound electronegativity
Using the valence electron concentration
Using doper
Using distorter
Using the metallicity module
Predicting Properties from Composition
Tutorials
Quaternary oxide composition generation
Filtering a search space using oxidation states
Metal vs. Non-Metal Classification on matbench_expt_is_metal
Testing charge-neutrality of the compositions in the GNoME database
Crystal Structure Prediction via Ionic Substitutions
Exploring crystal space
Visualising crystal space
Creating oxidation states lists
smact Python package
Property Prediction Module
smact.property_prediction.base_predictor module
smact.property_prediction.convenience module
smact.property_prediction.config module
smact.property_prediction.io module
smact.property_prediction.registry module
smact.property_prediction.roost module
Structure Prediction Module
Prediction Module
Structure Database Module
Mutation Module
Structure Module
Substitution Probability Models
Structure Prediction Utilities Module
Dopant Prediction Module
smact.dopant_prediction.doper module
SMACT Utilities module
SMACT Utilities Composition Module
SMACT Utilities Crystal Space Module
Crystal Space Materials Project Data Retrieval Module
Crystal Space SMACT Generation Module
Crystal Space Embedding Module
SMACT Utilities Oxidation Module
smact.properties module
smact.screening module
smact.oxidation_states module
smact.metallicity module
smact.builder module
smact.distorter module
smact.lattice module
smact.lattice_parameters module
smact.data_loader module
Changelog
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