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atomicarchitects

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Top repositories

1

equiformer

[ICLR'23 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs
Python
188
star
2

equiformer_v2

[ICLR'24] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations
Python
187
star
3

DeNS

[ArXiv'24] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields
Python
15
star
4

phonax

Jupyter Notebook
11
star
5

e3nn-pt2

e3nn + PyTorch 2.0
Python
9
star
6

PriceofFreedom

[GRaM at ICML'24] The Price of Freedom: Exploring Tradeoffs between Expressivity and Computational Efficiency in Equivariant Tensor Products
Jupyter Notebook
6
star
7

symphony

[ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation
Python
6
star
8

atomicarchitects.github.io

SCSS
3
star
9

pyspectra

Library for computing, inverting, and visualizing spectra of local atomic environments
Jupyter Notebook
3
star
10

datasets

3D datasets useful to the Atomic Architects!
Python
2
star
11

e3nn_tetris

Simple Tetris Network in Torch 2.0 + C++ inference
Python
2
star