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I have this function to check the validity of smiles that is based on RDKit :
from rdkit import Chem
def checksmi(smi):
m = Chem.MolFromSmiles(smi,sanitize=False)
if m is None:
#print('invalid SMILES')
v = 0
else:
#print("valid smiles.")
v = 1
try:
Chem.SanitizeMol(m)
except:
#print('invalid chemistry')
v = 0
return v
is this the same as the validity given by moses when we type the below code, does moses validity checks for valid smiles (grammar) or also valid chemistry:
I have this function to check the validity of smiles that is based on RDKit :
is this the same as the validity given by moses when we type the below code, does moses validity checks for valid smiles (grammar) or also valid chemistry:
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