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The Atomic Architects's Projects

basislib icon basislib

Your favorite basis functions for equivariant models in one place. Code borrowed from e3x

e3nn icon e3nn

A modular framework for neural networks with Euclidean symmetry

equiformer icon equiformer

[ICLR'23 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs

equiformer_v2 icon equiformer_v2

[ICLR'24] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations

fusionfail icon fusionfail

Profile showing 3 layers of NequIP using e3nn-jax

pyspectra icon pyspectra

Library for computing, inverting, and visualizing spectra of local atomic environments

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