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
- numpy >=2.0
- opt-einsum >=3.3
- periodictable >=1.7
- scipy >=1.13
30 optional dependencies
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ase>=3.23[mace]extra == "mace"
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ase>=3.23[md]extra == "md"
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build>=1.2[dev]extra == "dev"
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build>=1.2[test]extra == "test"
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h5py>=3.10[ued]extra == "ued"
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h5py>=3.10[md]extra == "md"
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jax>=0.4.26[ml]extra == "ml"
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mace-torch>=0.3.13[mace]extra == "mace"
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matplotlib>=3.8[test]extra == "test"
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matplotlib>=3.8[plot]extra == "plot"
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matplotlib>=3.8[analysis]extra == "analysis"
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numba>=0.59[test]extra == "test"
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numba>=0.59[accelerators]extra == "accelerators"
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openmm>=8.1[md]extra == "md"
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psutil>=5.9[accelerators]extra == "accelerators"
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pyscf>=2.5[pyscf]extra == "pyscf"
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pyscf>=2.5[test]extra == "test"
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pytest>=8[dev]extra == "dev"
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pytest>=8[test]extra == "test"
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roman>=4.1[docs]extra == "docs"
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ruff>=0.5[dev]extra == "dev"
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scikit-learn>=1.4[ml]extra == "ml"
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sphinx<9,>=7.3[docs]extra == "docs"
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sphinx-rtd-theme>=2.0[docs]extra == "docs"
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tensorly>=0.8[ml]extra == "ml"
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tntorch>=1.1.2[ml]extra == "ml"
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torch>=2.2[ml]extra == "ml"
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torch>=2.2[torch]extra == "torch"
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twine>=5[dev]extra == "dev"
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twine>=5[test]extra == "test"