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
- func-timeout ==4.3.5
- hyperopt >=0.2.7
- imageio >=2.28.1
- iopt ==0.2.22
- joblib >=0.17.0
- mabwiser >=2.7.0
-
markupsafe
==2.1.1
python_version < "3.13"
- matplotlib >=3.3.1
- networkx !=2.7.*,!=2.8.1,!=2.8.2,!=2.8.3,<3.3,>=2.4
-
numpy
!=1.24.0,<2.0.0,>=1.16.0
python_version < "3.13"
- optuna >=3.2.0
- pandas >=1.3.0
- pillow >=9.5.0
- psutil >=5.9.2
- pytest >=6.2.0
- pyvis ==0.2.1
- requests >=2.0
-
scipy
<1.13.0
python_version < "3.13"
- seaborn >=0.9.0
- testfixtures >=6.18.0
- tqdm ~=4.66.3
- zss >=1.2.0
18 optional dependencies
-
autodocsumm[docs]extra == "docs"
-
gensim<=4.3.2[molecules]python_version < "3.14" and extra == "molecules"
-
gprof2dot==2021.2.21[profilers]extra == "profilers"
-
guacamol>=0.5.4[molecules]python_version < "3.14" and extra == "molecules"
-
joblib>=0.12.5[molecules]extra == "molecules"
-
karateclub>=1.3.3[adaptive]python_version < "3.11" and extra == "adaptive"
-
memory-profiler==0.61.0[profilers]extra == "profilers"
-
mol2vec==0.2.2[molecules]python_version < "3.14" and extra == "molecules"
-
objgraph==3.5.0[profilers]extra == "profilers"
-
rdkit>=2018.09.1.0[molecules]extra == "molecules"
-
readthedocs-sphinx-search==0.1.1[docs]extra == "docs"
-
requests>=2.30.0[molecules]extra == "molecules"
-
snakeviz==2.1.0[profilers]extra == "profilers"
-
sphinx==4.2.0[docs]extra == "docs"
-
sphinx-rtd-theme==1.0.0[docs]extra == "docs"
-
sphinxcontrib-details-directive[docs]extra == "docs"
-
torch[adaptive]extra == "adaptive"
-
torch>=2.0.1[molecules]extra == "molecules"