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e3nn

Here are 5 public repositories matching this topic...

chaitjo / geometric-gnn-dojo

Geometric GNN Dojo provides unified implementations and experiments to explore the design space of Geometric Graph Neural Networks.

pytorch graph-isomorphism geometric-deep-learning graph-neural-networks pytorch-geometric equivariance geometric-graphs equivariant-networks e3nn

Updated May 22, 2024
Jupyter Notebook

atomicarchitects / equiformer_v2

[ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations

machine-learning deep-learning molecular-dynamics pytorch computational-chemistry computational-physics drug-discovery materials-science force-fields geometric-deep-learning graph-neural-networks interatomic-potentials ai-for-science e3nn equivariant-neural-networks equivariant-graph-neural-network catalyst-design

Updated Jul 31, 2024
Python

atomicarchitects / equiformer

[ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs

machine-learning deep-learning molecular-dynamics pytorch computational-chemistry drug-discovery materials-science force-fields geometric-deep-learning graph-neural-networks interatomic-potentials ai-for-science e3nn equivariant-neural-networks equivariant-graph-neural-network catalyst-design

Updated Jul 27, 2024
Python

atomicarchitects / DeNS

Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields

molecular-dynamics computational-chemistry drug-discovery denoising-autoencoders force-fields geometric-deep-learning graph-neural-networks self-supervised-learning e3nn equivariant-graph-neural-network

Updated Jul 22, 2024
Python

Parity-LRX / Parity

Deep Learning Potential model with Symmetry Invariant and Equivariant Descriptor

machine-learning convolutional-neural-network transformer-architecture chemistry-molecule ai4science e3nn equivariant-graph-neural-network

Updated Nov 29, 2024
Python

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