Tess Smidt's repositories
e3nn_tutorial
repository and website for tutorials on 3d Euclidean equivariant neural networks
e3nn_symm_breaking
Code repository for "Finding symmetry breaking order parameters with Euclidean Neural Networks"
awesome-equivariant-network
Paper list for equivariant neural network
crystaltoolkit
Crystal Toolkit is an interactive web app that allows you to import, view, analyze and transform crystal structures and molecules. It is also a suite of ready-made UI components to render Materials Project data using the Dash framework from Plotly.
icml18-jtnn
Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)
preservethispodcast
This is the codebase for the Preserve This Podcast website and podcast RSS feed.
pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.