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1. EmilSkaaning/DeepStruc EmilSkaaning/DeepStruc Public

   DeepStruc is a Conditional Variational Autoencoder which can predict the mono-metallic nanoparticle from a Pair Distribution Function.

   Jupyter Notebook 26 2

2. CVAE CVAE Public

   CVAE is a Conditional Variational Autoencoder which can predict the mono-metallic nanoparticle from a Pair Distribution Function.

   Python 4 1

3. Brute-force-PDF-modelling Brute-force-PDF-modelling Public

   MetalFinder is a brute-force approach to predict the mono-metallic nanoparticle from a Pair Distribution Function.

   Jupyter Notebook 3 1

4. AlignIt AlignIt Public

   Calculation of symmetry deviation values between polyhedra with the same number of atoms

   Jupyter Notebook

5. ML-MotEx ML-MotEx Public

   Code for Machine Learning based Motif Extractor. A tool to extract motifs from numerous fits using explainable machine learning.

   Jupyter Notebook 9 2