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1. SMACT SMACT Public

   Python package to aid materials design and informatics

   Python 128 28

2. PDynA PDynA Public

   Python package to analyse the structural dynamics of perovskites

   Python 48 5

3. ElementEmbeddings ElementEmbeddings Public

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

   Python 47 4

4. CarrierCapture.jl CarrierCapture.jl Public

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

   Jupyter Notebook 57 24

5. Chemeleon-Zoo Chemeleon-Zoo Public

   Menagerie of generative AI models for materials design

   7

6. MacroDensity MacroDensity Public

   Python package to analyse electron density & electrostatic potential grids

   Python 89 45