ai4materials
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Contents:
Installation
Data preprocessing
Representing crystal structures: descriptors
Creating and loading materials science datasets
Regression and classification models
Example regression: LASSO+l0 method
Example classification: convolutional neural network for crystal-structure classification
Submodules
ai4materials.models.clustering module
ai4materials.models.cnn_architectures module
ai4materials.models.cnn_nature_comm_ziletti2018 module
ai4materials.models.cnn_polycrystals module
ai4materials.models.embedding module
ai4materials.models.l1_l0 module
ai4materials.models.sis module
ai4materials.models.strided_pattern_matching module
Module contents
Neural network interpretation
Visualization
Utils
Authors
History
ai4materials
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ai4materials.models.clustering module
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