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
- gemmi >=0.6.0
- jinja2 >=3.1.0
- kaggle >=1.6.0
- matplotlib >=3.7.0
- meeko >=0.5.0
- openpyxl >=3.1.0
- pdbfixer >=1.9.0
- py3dmol >=2.0.0
- questionary >=2.0.0
- rdkit >=2024.3.1
- requests >=2.31.0
- rich >=13.7.0
- scipy >=1.10.0
- textual <1.0.0,>=0.86.0
- tomli-w >=1.0.0
- typer >=0.12.0
11 optional dependencies
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black>=24.0.0[dev]extra == "dev"
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gypsum-dl>=1.3.0[enumerate]extra == "enumerate"
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mdanalysis>=2.7.0[analysis]extra == "analysis"
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pdb2pqr>=3.7.1[prep]extra == "prep"
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posebusters>=0.3.0[analysis]extra == "analysis"
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prolif>=2.0.0[analysis]extra == "analysis"
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propka>=3.5.1[prep]extra == "prep"
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pytest>=8.0.0[dev]extra == "dev"
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pytest-asyncio>=0.23.0[dev]extra == "dev"
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pytest-cov>=5.0.0[dev]extra == "dev"
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ruff==0.15.10[dev]extra == "dev"