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Lira

Lira: Rotational Invariant Shape and ElectrostaticDescriptors for Small Molecules and ProteinPockets based on Real Spherical Harmonics

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dub --compiler=ldmd2 --build=release

Example

lira_coeffs --in_file=ZINC67007472.tmesh --out_file=ZINC67007472.coeffs --verbose

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Lira: Rotational Invariant Shape and ElectrostaticDescriptors for Small Molecules and ProteinPockets based on Real Spherical Harmonics

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