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Python module for quantum chemistry
Python 1.1k 540
A plugin to use Nvidia GPU in PySCF package
Cuda 94 17
MPI parallelization for PySCF
Python 32 15
pyscf-forge is a collection of extensions for pyscf
Python 19 12
PySCF website and documentation
TeX 17 39
Forked from nmardirossian/PySCF_Tutorial
Jupyter Notebook 12 9
PySCF extensions for dispersion calculations
DMRG and DMRGSCF
An interface to SHCI program Dice developed by Sharma group
Molecular and crystal electromagnetic properties
Semi-empirical methods for PySCF
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