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Hey everyone,
Does anyone have an example of how to setup a machine learning example given a vector of labels and smiles strings. In rdkit, this is relatively straightforward to do,
mol = Chem.MolFromSmiles(smiles)
fp = AllChem.GetMorganFingerprintAsBitVector(mol,radius = radius,nBits = nBits)
Is there something similar I can do using OESS? Having trouble finding documentation on this part.
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