atomicarchitects/DeNS

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15
Rank 1,371,379 (Top 28 %)
Language
Python
License
MIT License
Created 4 months ago
Updated 4 months ago

atomicarchitects/DeNS

atomicarchitects

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

equiformer

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

equiformer_v2

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

phonax

Jupyter Notebook

e3nn-pt2

e3nn + PyTorch 2.0

PriceofFreedom

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

Jupyter Notebook

symphony

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

atomicarchitects.github.io

pyspectra

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

Jupyter Notebook

datasets

3D datasets useful to the Atomic Architects!

e3nn_tetris

Simple Tetris Network in Torch 2.0 + C++ inference