Package Insights
((week_daily_avg - month_daily_avg) / month_daily_avg) * 100Weekly Downloads
GitHub Stars
Downloads by OS
Python Versions
Top Countries
Dependencies
- dask >=2022.2.0
- distributed >=2022.2.0
- h5py >=3.6.0
- luigi >=3.0.0
- matplotlib >=3.5.0
- mdanalysis >=2.4.0
- mdtraj >=1.9.5
- mlflow >=2.0.0
- networkx >=2.6.0
- numpy >=1.21.0
- openmm >=7.5.0
- pandas >=1.3.0
- pdbfixer-wheel >=1.11.0
- plotly >=5.3.0
- python-json-logger >=2.0.0
- pyyaml >=6.0
- rdkit >=2022.03.1
- scikit-learn >=1.0.0
- scipy >=1.7.0
- seaborn >=0.11.0
- torch >=1.12.0
- torch-geometric >=2.0.0
- torch-scatter >=2.1.0
- tqdm >=4.62.0
6 optional dependencies
- black[dev]
- flake8[dev]
- isort[dev]
- openff-toolkit[ff]
- pytest[dev]
- pytest-cov[dev]