Downloads in the 30 and 7 days to October 10, 2026. Refreshed weekly.
Package Information
No reported malware or high/critical advisories · Details
The current version has no OSV.dev malware reports and no critical or high-severity vulnerabilities.
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((week_daily_avg - month_daily_avg) / month_daily_avg) * 100More insights and metrics
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Dependencies
- h5py >=2.7
- numpy !=1.16,!=1.17,>=1.13
-
psutil
sys_platform == "win32"
- scipy >=1.6.0
- setuptools
19 optional dependencies
-
basis-set-exchange[bse]extra == "bse"
-
coupled-cluster-py[ccpy]extra == "ccpy"
-
cppe[cppe]extra == "cppe"
-
geometric>=0.9.7.2[geomopt]extra == "geomopt"
-
pyberny>=0.6.2[geomopt]extra == "geomopt"
-
pyqmc[pyqmc]extra == "pyqmc"
-
pyscf[all]extra == "all"
-
pyscf-cornell-shci[cornell-shci]extra == "cornell-shci"
-
pyscf-dispersion[dispersion]extra == "dispersion"
-
pyscf-doci[doci]extra == "doci"
-
pyscf-fciqmc[fciqmcscf]extra == "fciqmcscf"
-
pyscf-forge[forge]extra == "forge"
-
pyscf-icmpspt[icmpspt]extra == "icmpspt"
-
pyscf-nao[nao]extra == "nao"
-
pyscf-properties[properties]extra == "properties"
-
pyscf-qsdopt[geomopt]extra == "geomopt"
-
pyscf-semiempirical[semiempirical]extra == "semiempirical"
-
pyscf-shciscf[shciscf]extra == "shciscf"
-
pyscf-tblis[tblis]extra == "tblis"
Used By
- ffsim 58.0K/mo
- qiskit-addon-sqd 51.0K/mo
- pyscf-dispersion 24.9K/mo
- gpu4pyscf-cuda12x 13.2K/mo
- xpongecpp 8.7K/mo
- xponge 3.7K/mo
- green-mbtools 3.3K/mo
- bioql 2.3K/mo
- qiskit-addon-slc 1.9K/mo
- quri-parts-pyscf 1.6K/mo