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1. ChemFormula ChemFormula Public

   ChemFormula is a Python class for working with chemical formulas. It allows parsing chemical formulas, calculating formula weights for stoichiometric calculations, and generating formatted output s…

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2. CASRegistryNumbers CASRegistryNumbers Public

   Python class to manage, check, and sort CAS Registry Numbers.

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3. rag-tutorial-pixegami rag-tutorial-pixegami Public

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   An Improved Langchain RAG Tutorial (v2) with local LLMs, database updates, and testing.

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4. MolShape-Original MolShape-Original Public archive

   Perl implementation of the MolShape equivalent-diameter algorithm for host-guest cavity and molecular dimension analysis.

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