A Python library to compute topological indices from SMILES or graphs using NetworkX. Ideal for cheminformatics, graph analytics, and molecular modeling.
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Updated
May 25, 2025 - Python
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topological-indices
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Two-paper package: Wuzi parametric topological-index family (graph theory) + reproducible orthogonality-screening pipeline for QSPR (methodology)
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Updated
Jun 4, 2026 - Python
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