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 >=1.2
- cloudpathlib <0.26,>=0.25
- duckdb >=1.5
- numpy
- omegaconf
- pandas
- peppr >=0.13
- pyarrow
- pydantic
- rdkit >=2025.09.1
- threadpoolctl >=3.6
- tqdm
- voronotalt >=1.1
38 optional dependencies
-
build[test]extra == "test"
-
cloudpathlib<0.26,>=0.25[type]extra == "type"
-
gcsfs[data]extra == "data"
-
google-cloud-storage[data]extra == "data"
-
itables[docs]extra == "docs"
-
jupyter-sphinx[docs]extra == "docs"
-
jupyterlab-myst[docs]extra == "docs"
-
jupytext[docs]extra == "docs"
-
matplotlib[docs]extra == "docs"
-
matplotlib[plots]extra == "plots"
-
matplotlib-venn[plots]extra == "plots"
-
mols2grid[plots]extra == "plots"
-
mols2grid[docs]extra == "docs"
-
mypy==1.18.2[type]extra == "type"
-
myst-nb[docs]extra == "docs"
-
myst-parser[docs]extra == "docs"
-
numba[data]extra == "data"
-
numpydoc[docs]extra == "docs"
-
plinder[dev]extra == "dev"
-
posebusters>=0.6.5[eval]extra == "eval"
-
pre-commit==2.21.0[lint]extra == "lint"
-
pydata-sphinx-theme==0.15.4[docs]extra == "docs"
-
pytest==7.2.0[test]extra == "test"
-
pytest-cov==4.0.0[test]extra == "test"
-
pytest-xdist==3.6.1[test]extra == "test"
-
ruff==0.9.4[lint]extra == "lint"
-
scipy[plots]extra == "plots"
-
seaborn[plots]extra == "plots"
-
setuptools-scm[test]extra == "test"
-
sphinx[docs]extra == "docs"
-
sphinx-copybutton[docs]extra == "docs"
-
sphinx-design[docs]extra == "docs"
-
sphinx-gallery[docs]extra == "docs"
-
tomli>=2[test]extra == "test"
-
torch[loader]extra == "loader"
-
tox>=4[test]extra == "test"
-
types-pyyaml[type]extra == "type"
-
types-requests[type]extra == "type"