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Dependencies
- chembl-structure-pipeline >=1.2.0
- job-tqdflex >=0.1.1
- loguru
- matplotlib
- numpy
- pandas
- rdkit >=2023.03.1
- tqdm
15 optional dependencies
- black[dev]
- chem-filters[dev]
- chem-filters[full]
- furo[docs]
- isort[dev]
- molbloom[allfilters]
- molspotter[allfilters]
- molvs[standardizers]
- myst-parser[docs]
- papyrus-structure-pipeline[standardizers]
- pepsift[allfilters]
- pytest[dev]
- ruff[dev]
- sphinx[docs]
- sphinx-autodoc-typehints[docs]