Mathematical Indexes For Compounds

• Tech Stack: Java, Python
• Github URL: Project Link
• My Contributions: Formula Calculations

Implemented a toolkit in Python to calculate various mathematical indices—such as molecular connectivity, Wiener, and Randic indices—for chemical compounds.

Built automated parsing of chemical structures from input formats (SMILES/SDF), with optimized computation of topological descriptors for use in cheminformatics and QSAR studies.