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
- arkimede
- ase <4.0.0,>=3.25.0
- autoadsorbate
- dscribe <3.0.0,>=2.1.1
- fhi-decaf
- igraph <0.12.0,>=0.11.8
- networkx <4.0.0,>=3.4.2
- pandas <3.0.0,>=2.2.3
- pymatgen ==2025.10.7
- rdkit <2025.0.0,>=2024.9.6
- scikit-learn <2.0.0,>=1.6.1
- sella
- wfl
3 optional dependencies
-
pre-commit[dev]extra == "dev"
-
pytest[dev]extra == "dev"
-
ruff[dev]extra == "dev"