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
- autopep8
- gdown
- ipywidgets
- jupyterlab
- matplotlib
- mlflow
- nglview
- numpy
- pandas
- parquetdb
- pylint
- pymatgen
- python-dotenv
- pyyaml
- scipy
- seaborn
- variconfig
20 optional dependencies
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ase[materials]extra == "materials"
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coxeter[materials]extra == "materials"
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crystals[materials]extra == "materials"
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graph-tool[graph-tool]platform_system == "Linux" and extra == "graph-tool"
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matminer[materials]extra == "materials"
-
mendeleev[materials]extra == "materials"
-
neo4j[neo4j]extra == "neo4j"
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openai[llm]extra == "llm"
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pyg-lib[torch]platform_system == "Linux" and extra == "torch"
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sphinx[dev]extra == "dev"
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sphinx-rtd-theme[dev]extra == "dev"
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tiktoken[llm]extra == "llm"
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torch[torch]extra == "torch"
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torch-cluster[torch]extra == "torch"
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torch-geometric[torch]extra == "torch"
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torch-scatter[torch]extra == "torch"
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torch-sparse[torch]extra == "torch"
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torch-spline-conv[torch]extra == "torch"
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torchaudio[torch]extra == "torch"
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torchvision[torch]extra == "torch"