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depscope/pypi/pyscf

pyscf

pypiv2.14.0

PySCF: Python-based Simulations of Chemistry Framework

License Apache-2.0permissive34 versions24 deps
pyscf/pyscf
62
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25/25
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0/20
popularity
25/25
security
12/15
maturity
0/15
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Dependency Tree

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Dependencies (24)
numpyscipyh5pysetuptoolspsutil;pyscf-forge;pybernygeometricpyscf-qsdopt;pyscf-doci;pyscf-properties;pyscf-semiempirical;cppe;
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Last updated · 2026-07-18T22:27:48.810170Z

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pyqmc;
basis-set-exchange;
pyscf-dispersion;
coupled-cluster-py;
pyscf[bse,ccpy,cppe,dispersion,doci,forge,geomopt,properties,pyqmc,semiempirical];
pyscf-cornell-shci;
pyscf-nao;
pyscf-fciqmc;
pyscf-tblis;
pyscf-icmpspt;
pyscf-shciscf;