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
- anytree
- importlib-resources
- lammps <=2024.08.29
- matplotlib
- mdtraj
- networkx
- numpy >=2.0.0
- openmm
- pandas
- pillow
- rdkit
- rich
- scipy
- setuptools <82.0.0
11 optional dependencies
-
chemspipy[chemdb]extra == "chemdb"
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cirpy[chemdb]extra == "chemdb"
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codecov[test]extra == "test"
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ipywidgets==8.0.4[interactive]extra == "interactive"
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jupyterlab[interactive]extra == "interactive"
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nglview==3.0.6[interactive]extra == "interactive"
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pubchempy[chemdb]extra == "chemdb"
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py3dmol[interactive]extra == "interactive"
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pytest>=6.1.2[test]extra == "test"
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pytest-cov[test]extra == "test"
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pytest-runner[test]extra == "test"