ai4materials
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Contents:
Installation
Data preprocessing
Representing crystal structures: descriptors
Creating and loading materials science datasets
Regression and classification models
Neural network interpretation
Visualization
Utils
Utils crystals
Pristine and defective supercell generation
Example: pristine supercell creation
Example: defective supercell creation
Submodules
ai4materials.utils.unit_conversion module
ai4materials.utils.utils_binaries module
ai4materials.utils.utils_config module
ai4materials.utils.utils_crystals module
ai4materials.utils.utils_data_retrieval module
ai4materials.utils.utils_mp module
ai4materials.utils.utils_parsing module
ai4materials.utils.utils_plotting module
ai4materials.utils.utils_vol_data module
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Authors
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ai4materials
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ai4materials.utils.utils_mp module
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