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1. equiformer equiformer Public

   Forked from atomicarchitects/equiformer

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

   Python

2. pyscf pyscf Public

   Forked from pyscf/pyscf

   Python module for quantum chemistry, forked by wjyan on 2023/03/07.

   Python

3. pyscf-forge pyscf-forge Public

   Forked from pyscf/pyscf-forge

   pyscf-forge is a collection of extensions for pyscf

   Python

4. torch-gauge torch-gauge Public

   Forked from zrqiao/torch-gauge

   A light-weight PyTorch extension for equivariant deep learning

   Python

5. XequiNet XequiNet Public

   Forked from X1X1010/XequiNet

   eXtended Equivairant Graph Neural Network

   Python 1

6. XequiNet_tensor XequiNet_tensor Public

   Machine Learning tensorial properties of atomistic systems with XequiNet.

   Python