/tools/Molecule_format_converter
Molecule_format_converter
RohanV01/Molecule_format_converter
12 stars4 forksJupyter NotebookAdded February 4, 2026
summary
This repository offers a Jupyter notebook for batch conversion of molecular file formats, such as SDF to PDB and SMILES to PDBQT. It streamlines the process of preparing molecular data for cheminformatics and drug discovery applications.
description
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
topics
cheminformaticsdrug-designdrug-discoverysmilesmoleculeproblem-solving
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