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Dependencies
- build >=1.2.2.post1
- cairosvg >=2.7.1
- chembl-webresource-client >=0.10.9
- deepchem >=2.8.0
- molvs >=0.1.1
- numpy <2
- pandas >=2.0.0
- plotly >=5.24.1
- py3dmol >=2.4.0
- python-dotenv >=1.0.1
- rdkit >=2.2.3
- scipy >=1.14.1
- setuptools >=75.6.0
- streamlit >=1.39.0
- tdc >=0.1.0
- twine ==6.0.1
- wheel >=0.45.1
5 optional dependencies
- black[dev]
- isort[dev]
- mypy[dev]
- pytest[dev]
- pytest-cov[dev]