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
- ase >=3.22.0
- matplotlib >=3.4.0
- networkx >=3.1
- numpy >=1.24.0
- pandas >=2.0.0
- rdkit >=2023.3.3
- scikit-learn >=1.3.0
- scipy >=1.10.0
- seaborn >=0.13.0
- torch >=2.0.0
- torch-geometric >=2.7.0
- tqdm >=4.65.0
5 optional dependencies
-
codecov[dev]extra == "dev"
-
coverage[dev]extra == "dev"
-
flake8[dev]extra == "dev"
-
pytest[dev]extra == "dev"
-
pytest-cov[dev]extra == "dev"