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.
Package Insights
((week_daily_avg - month_daily_avg) / month_daily_avg) * 100More insights and metrics
Downloads by OS
Python Versions
Top Countries
Weekly Downloads
GitHub Stars
Dependencies
- chemformula ==1.3.1
- chemparse ==0.3.1
- huggingface-hub ==0.23.2
- matchms ==0.26.2
- myopic-mces ==1.0.0
- networkx ==3.3
- numpy ==1.24.4
- pulp ==2.9.0
- pytorch-lightning ==2.2.5
- rdkit ==2023.9.4
- seaborn ==0.13.2
- selfies ==2.1.2
- tokenizers ==0.19.1
- torch ==2.3.0
- torch-geometric ==2.5.3
- torchmetrics ==1.4.0
- wandb ==0.17.0
8 optional dependencies
-
black==24.4.2[dev]extra == "dev"
-
h5py==3.11.0[notebooks]extra == "notebooks"
-
ipywidgets==8.1.3[notebooks]extra == "notebooks"
-
jupyter==1.0.0[notebooks]extra == "notebooks"
-
pandarallel==1.6.5[notebooks]extra == "notebooks"
-
pytest==8.2.1[dev]extra == "dev"
-
pytest-cov==5.0.0[dev]extra == "dev"
-
scikit-learn==1.5.0[notebooks]extra == "notebooks"