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.
Package Insights
- No releases in 641 days despite active commits
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Dependencies
- ase
- coloredlogs
- hmmlearn >=0.2.1
- lz4
- matplotlib
- networkx
- numpy
- openbabel-wheel
- packaging
- pandas
- rdkit
- requests
- scour
- tqdm >=4.9.0
20 optional dependencies
-
cython[test]extra == "test"
-
deepmodeling-sphinx>=0.1.3[docs]extra == "docs"
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myst-nb>=1.0.0rc0[docs]extra == "docs"
-
nodejs-wheel~=20.9[docs]extra == "docs"
-
numpydoc[docs]extra == "docs"
-
pygments-lammps[docs]extra == "docs"
-
pytest-codspeed[test]extra == "test"
-
pytest-console-scripts[test]extra == "test"
-
pytest-cov<4[test]extra == "test"
-
pytest-mock[test]extra == "test"
-
pytest-sugar[test]extra == "test"
-
pytest-xvfb[test]extra == "test"
-
pyyaml[docs]extra == "docs"
-
setuptools[docs]extra == "docs"
-
sphinx[docs]extra == "docs"
-
sphinx-argparse<0.5.0[docs]extra == "docs"
-
sphinx-book-theme[docs]extra == "docs"
-
sphinx-design[docs]extra == "docs"
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sphinx-favicon>=1.0[docs]extra == "docs"
-
sphinxcontrib-bibtex>=2.6.0[docs]extra == "docs"