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 >=1.24
- typing-extensions >=4.7
46 optional dependencies
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biopython>=1.83[structure]extra == "structure"
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biopython>=1.83[all]extra == "all"
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biopython>=1.83[sequence]extra == "sequence"
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biopython>=1.83[io]extra == "io"
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biotite>=0.40[structure]extra == "structure"
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biotite>=0.40[all]extra == "all"
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biotite>=0.40[io]extra == "io"
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build>=1.0[dev]extra == "dev"
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gemmi>=0.6[docking]extra == "docking"
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gemmi>=0.6[all]extra == "all"
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hypothesis>=6.92[dev]extra == "dev"
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ipykernel>=6.29[dev]extra == "dev"
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mdtraj>=1.10[all]extra == "all"
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mdtraj>=1.10[md]extra == "md"
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meeko>=0.5[docking]extra == "docking"
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meeko>=0.5[all]extra == "all"
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mkdocs>=1.5[docs]extra == "docs"
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mkdocs-jupyter>=0.24[docs]extra == "docs"
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mkdocs-material>=9.5[docs]extra == "docs"
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mkdocstrings>=0.24[docs]extra == "docs"
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mypy>=1.8[dev]extra == "dev"
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nbclient>=0.10[dev]extra == "dev"
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openmm>=8.1[md]platform_system != "Windows" and extra == "md"
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openmm>=8.1[all]platform_system != "Windows" and extra == "all"
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openmm>=8.1[prep]platform_system != "Windows" and extra == "prep"
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pdbfixer>=1.9[prep]platform_system != "Windows" and extra == "prep"
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pdbfixer>=1.9[all]platform_system != "Windows" and extra == "all"
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pre-commit>=3.6[dev]extra == "dev"
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pytest>=7.4[dev]extra == "dev"
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pytest-benchmark>=4.0[dev]extra == "dev"
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pytest-cov>=4.1[dev]extra == "dev"
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pytest-xdist>=3.5[dev]extra == "dev"
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pyyaml>=6.0[repro]extra == "repro"
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pyyaml>=6.0[all]extra == "all"
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rdkit>=2023.9[chem]extra == "chem"
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rdkit>=2023.9[docking]extra == "docking"
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rdkit>=2023.9[all]extra == "all"
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ruff==0.15.14[dev]extra == "dev"
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scipy>=1.11[docking]extra == "docking"
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scipy>=1.11[structure]extra == "structure"
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scipy>=1.11[all]extra == "all"
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torch>=2.1[ml]extra == "ml"
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torch>=2.1[all]extra == "all"
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transformers>=4.40[all]extra == "all"
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transformers>=4.40[ml]extra == "ml"
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twine>=4.0[dev]extra == "dev"