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Espaloma Charge
Standalone charge assignment from Espaloma framework. https://doi.org/10.1039/D2SC02739A
Installation
pip install espaloma_charge
Example
from rdkit import Chem; from espaloma_charge import charge
molecule = Chem.MolFromSmiles("N#N")
charge(molecule)
>>> array([0., 0.], dtype=float32)
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