• Monday,September 23,2024
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dataset - Is there a way to convert smiles format to TUdataset

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GitHub - RohanV01/Molecule_format_converter: This jupyter notebook let's you convert sdf to pdb or SMILES to pdbqt file formats for a batch of compounds to perform cheminformatics and drug discovery projects

How to convert bundle SMILES to .sdf file format #Molecular_Docking #ChemistryStudio

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