from rdkit import Chem
smi = Chem.MolToSmiles(Chem.SDMolSupplier(sdf_path)[0])
sdf转smi
最新推荐文章于 2023-11-08 04:02:32 发布
from rdkit import Chem
smi = Chem.MolToSmiles(Chem.SDMolSupplier(sdf_path)[0])