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1. SMACT Public

   Python package to aid materials design and informatics

   Python 133 30

2. Chemeleon-Zoo Public

   Menagerie of generative AI models for materials design

   10

3. ElementEmbeddings Public

   Python package to interact with high-dimensional representations of the chemical elements

   Python 51 4

4. xtalmet Public

   Python package containing a variety of distance functions for crystals, as well as evaluation metrics for crystal generation.

   Python 26 1

5. PDynA Public

   Python package to analyse the structural dynamics of perovskites

   Python 51 5

6. CarrierCapture.jl Public

   Julia package to compute trap-assisted electron and hole capture in semiconductors

   Jupyter Notebook 57 26