Downloads in the 30 and 7 days to October 10, 2026. Refreshed weekly.
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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
- dimorphite-dl >=2
- gemmi >=0.6
- numpy >=1.23
- pyyaml >=6
- rdkit >=2023.9
5 optional dependencies
-
chemur[test]extra == "test"
-
chemur[all]extra == "all"
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mdanalysis>=2.4[trajectory]extra == "trajectory"
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pandas>=1.5[dataframe]extra == "dataframe"
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pytest>=7[test]extra == "test"