smores.rdkit_from_smiles#

smores.rdkit_from_smiles(smiles)[source]#

Get an embeded rdkit molecule from SMILES.

Examples

Create an rdkit molecule

>>> import smores
>>> molecule = smores.rdkit_from_smiles("Br")
>>> import rdkit.Chem.AllChem as rdkit
>>> rdkit.MolToSmiles(molecule)
'[H]Br'
Parameters:

smiles (str) – The SMILES of the molecule.

Returns:

The rdkit molecule.

Return type:

Mol