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1. pyscf pyscf Public

   Forked from pyscf/pyscf

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

   Python

2. pyscf-forge pyscf-forge Public

   Forked from pyscf/pyscf-forge

   pyscf-forge is a collection of extensions for pyscf

   Python

3. XequiNet_tensor XequiNet_tensor Public

   Machine Learning tensorial properties of atomistic systems with XequiNet.

   Python 6

4. X1X1010/XequiNet X1X1010/XequiNet Public

   eXtended Equivairant Graph Neural Network

   Python 17 7

5. rest rest Public

   Forked from igor-1982/rest

   Rust

6. torch-gauge torch-gauge Public

   Forked from zrqiao/torch-gauge

   A light-weight PyTorch extension for equivariant deep learning

   Python