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  1. PubChem-SMILES_3D_Structure_Retriever PubChem-SMILES_3D_Structure_Retriever Public

    This script retrieves the isomeric SMILES string and 2D/3D structures (in SDF format) of chemical compounds from PubChem based on a list of Compound IDs (CIDs) in a CSV file.

    Python 1

  2. tserseg.github.io tserseg.github.io Public