dev-python/jazzy
Jazzy allows calculating a set of atomic/molecular descriptors including the Gibbs free energy of hydration (kJ/mol), its polar/apolar components, and the hydrogen-bond strength of donor and acceptor atoms.
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jazzy-0.1.4
<dev-python/click-9.0.0[python_targets_python3_11
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,python_targets_python3_12
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,python_targets_python3_13
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,python_targets_python3_14
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]
dev-python/rdkit[python_targets_python3_11
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,python_targets_python3_12
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,python_targets_python3_13
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,python_targets_python3_14
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]
dev-python/kallisto[python_targets_python3_11
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,python_targets_python3_12
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,python_targets_python3_13
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,python_targets_python3_14
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]
python_targets_python3_11?
( dev-lang/python:3.11 )
python_targets_python3_12?
( dev-lang/python:3.12 )
python_targets_python3_13?
( dev-lang/python:3.13 )
python_targets_python3_14?
( dev-lang/python:3.14 )