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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Dependencies
- ipywidgets <9,>=8.0.0
- jupyter <2,>=1.0.0
- kaleido <2,>=0.2.1
- matplotlib <4,>=3.7.0
- notebook <8,>=7.0.0
- numpy <3,>=1.24.0
- plotly <8,>=5.0.0
- plotlymol <1,>=0.2.1
- py3dmol <3,>=2.0.0
- requests <3,>=2.28.0
34 optional dependencies
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ase<4,>=3.22.0[pyfock]extra == "pyfock"
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ase<4,>=3.22.0[xtb]extra == "xtb"
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ase<4,>=3.22.0[ase]extra == "ase"
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ase<4,>=3.26[ts]extra == "ts"
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black~=26.5.1[dev]python_version >= "3.10" and extra == "dev"
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build>=1.0.0[dev]extra == "dev"
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cupy-cuda12x[pyfock-gpu-cuda12x]extra == "pyfock-gpu-cuda12x"
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cupy-cuda12x[gpu-cuda12x]extra == "gpu-cuda12x"
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cupy-cuda13x[gpu-cuda13x]extra == "gpu-cuda13x"
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cupy-cuda13x[pyfock-gpu-cuda13x]extra == "pyfock-gpu-cuda13x"
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cutensor-cu12[gpu-cuda12x]extra == "gpu-cuda12x"
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cutensor-cu13[gpu-cuda13x]extra == "gpu-cuda13x"
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gpu4pyscf-cuda12x[gpu-cuda12x]extra == "gpu-cuda12x"
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gpu4pyscf-cuda13x[gpu-cuda13x]extra == "gpu-cuda13x"
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ipykernel<8,>=6.0.0[notebook]extra == "notebook"
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ipykernel<8,>=6.0.0[app]extra == "app"
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mypy<2.4,>=1.10[dev]extra == "dev"
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nbmake>=1.4.0[notebook]extra == "notebook"
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numba<0.68,>=0.57[pyfock]extra == "pyfock"
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pre-commit>=3.7.0[dev]extra == "dev"
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pyfock<0.3,>=0.1.7[pyfock]extra == "pyfock"
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pyscf<3,>=2.13.0[pyscf]extra == "pyscf"
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pyscf-dispersion>=1.0[pyscf]extra == "pyscf"
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pyscf-properties[pyscf]extra == "pyscf"
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pytest>=7.0.0[dev]extra == "dev"
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pytest-cov>=4.0.0[dev]extra == "dev"
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pytest-mock>=3.10.0[dev]extra == "dev"
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pytest-xdist>=3.0.0[dev]extra == "dev"
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ruff~=0.16.0[dev]extra == "dev"
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scipy<2,>=1.10[pyfock]extra == "pyfock"
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sella>=2.6[ts]extra == "ts"
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types-requests>=2.28.0[dev]extra == "dev"
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voila<0.6,>=0.5.0[app]extra == "app"
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xtb>=22.1[xtb]extra == "xtb"