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
- biotite <1.7,>=1.0
- fastpdb
- nbformat
- numpy <2
- pandas
- plotly
- pyarrow >=12.0
- pydantic >=2.0
- pyyaml
- scikit-learn
- tabulate
- torch
- torch-geometric
- torchtyping
- tqdm
- typeguard ==2.13.3
- typing-extensions
55 optional dependencies
-
build==0.9.0[test]extra == "test"
-
colormath[data]extra == "data"
-
colormath[datapy312]extra == "datapy312"
-
fire[datapy312]extra == "datapy312"
-
fire[data]extra == "data"
-
gcsfs[datapy312]extra == "datapy312"
-
gcsfs[data]extra == "data"
-
gemmi[data]extra == "data"
-
gemmi[datapy312]extra == "datapy312"
-
google-cloud-storage[data]extra == "data"
-
google-cloud-storage[datapy312]extra == "datapy312"
-
itables[leaderboard]extra == "leaderboard"
-
jupyter-sphinx[docs]extra == "docs"
-
jupyterlab-myst[docs]extra == "docs"
-
jupytext[docs]extra == "docs"
-
matplotlib[datapy312]extra == "datapy312"
-
matplotlib[data]extra == "data"
-
matplotlib[leaderboard]extra == "leaderboard"
-
mpire[data]extra == "data"
-
mpire[datapy312]extra == "datapy312"
-
mypy==1.10.0[type]extra == "type"
-
myst-nb[docs]extra == "docs"
-
myst-parser[docs]extra == "docs"
-
networkx[data]extra == "data"
-
networkx[datapy312]extra == "datapy312"
-
numpydoc[docs]extra == "docs"
-
pinder[dev]extra == "dev"
-
pre-commit==3.6.0[lint]extra == "lint"
-
pydantic[type]extra == "type"
-
pydata-sphinx-theme[docs]extra == "docs"
-
pytest==7.2.0[test]extra == "test"
-
pytest-cov==4.0.0[test]extra == "test"
-
python-graphql-client[data]extra == "data"
-
python-graphql-client[datapy312]extra == "datapy312"
-
quarto-cli[leaderboard]extra == "leaderboard"
-
ruff==0.4.9[lint]extra == "lint"
-
scikit-learn[datapy312]extra == "datapy312"
-
scikit-learn<=1.2.2[data]extra == "data"
-
seaborn[datapy312]extra == "datapy312"
-
seaborn[data]extra == "data"
-
seaborn[leaderboard]extra == "leaderboard"
-
setuptools-scm==7.0.5[test]extra == "test"
-
sphinx-copybutton[docs]extra == "docs"
-
sphinx-design[docs]extra == "docs"
-
sphinxcontrib-applehelp[docs]extra == "docs"
-
sphinxcontrib-bibtex[docs]extra == "docs"
-
sphinxcontrib-devhelp[docs]extra == "docs"
-
sphinxcontrib-htmlhelp[docs]extra == "docs"
-
sphinxcontrib-jquery[docs]extra == "docs"
-
sphinxcontrib-jsmath[docs]extra == "docs"
-
sphinxcontrib-qthelp[docs]extra == "docs"
-
sphinxcontrib-serializinghtml[docs]extra == "docs"
-
tox>=4[test]extra == "test"
-
types-pyyaml[type]extra == "type"
-
types-requests[type]extra == "type"