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Update package description
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pyproject.toml

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[project]
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# https://packaging.python.org/en/latest/specifications/declaring-project-metadata/
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name = "qc-B3DB"
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description = "Subset selection with maximum diversity."
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description = "A rich molecule dataset for Blood-Brain Barrier (BBB) permeability."
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readme = {file = 'README.md', content-type='text/markdown'}
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requires-python = ">=3.9"
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# "LICENSE" is name of the license file, which must be in root of project folder

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