rdkit.Chem.AllChem.AddHs is a function in the Python RDKit library that adds hydrogen atoms to a molecule. This function is used to generate a more realistic representation of a molecule by considering the appropriate number of hydrogen atoms based on its connectivity. By adding hydrogen atoms, the function ensures that the molecule has a correct total number of valence electrons and can be used for various chemical calculations and simulations.
Python AllChem.AddHs - 30 examples found. These are the top rated real world Python examples of rdkit.Chem.AllChem.AddHs extracted from open source projects. You can rate examples to help us improve the quality of examples.