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Name: Qiming Sun
Type: User
Qiming Sun's Projects
psi4-cc
python wrapper for Psi4 CC module
pyberny
Molecular structure optimizer
pydmet
dmet interface
pydmrg
Python wrapper for Block code
pyscf
Python module for quantum chemistry
pyscf-deps
pyscf-doc
pyscf-doc
pyscf-forge
pyscf-forge is a collection of extensions for pyscf
pyscf-test
pythreejs
A Jupyter - Three.js bridge
qcint
An optimized libcint branch for X86 architecture
qiskit-nature-pyscf
Documentation at https://qiskit-community.github.io/qiskit-nature-pyscf/
rq
Simple job queues for Python
schnetpack
SchNetPack - Deep Neural Networks for Atomistic Systems
selectci
semiempirical
Semi-empirical methods for PySCF
sgx
simple-dftd3
reimplementation of the DFT-D3 program
spark4pyscf
Parallelize pyscf with pyspark
sparse
Sparse multi-dimensional arrays for the PyData ecosystem
spin_corr
tblis
TBLIS is a library and framework for performing tensor operations, especially tensor contraction, using efficient native algorithms.
travisperf
wannier90
Official repository of the Wannier90 code
xcfun
Exchange-Correlation functionals with arbitrary order derivatives
zquatev
Python wrapper for qsimulate-open/zquatev
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