ai4materials
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Contents:
Installation
Data preprocessing
Representing crystal structures: descriptors
Example: atomic features
Example: two-dimensional diffraction fingerprint
Example: three-dimensional diffraction fingerprint
Submodules
ai4materials.descriptors.atomic_features module
ai4materials.descriptors.base_descriptor module
ai4materials.descriptors.diffraction1d module
ai4materials.descriptors.diffraction2d module
ai4materials.descriptors.diffraction3d module
ai4materials.descriptors.ft_soap_descriptor module
ai4materials.descriptors.prdf module
ai4materials.descriptors.quippy_soap_descriptor module
ai4materials.descriptors.soap_model module
Module contents
Creating and loading materials science datasets
Regression and classification models
Neural network interpretation
Visualization
Utils
Authors
History
ai4materials
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Representing crystal structures: descriptors
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ai4materials.descriptors.diffraction3d module
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