A collection of Python tools and notebooks for solving chemistry problems. Features include data analysis, molecular visualization, and predictive modeling using libraries such as NumPy, Pandas, and RDKit. Designed to support studies and projects in analytical, organic, and computational chemistry.
chemistry analysis computational-chemistry density quantum-chemistry rdkit physical-chemistry spectroscopy quimica orca-quantum-chemistry spectrophotometry potentiometric rdkit-chem quimica-computacional tritration analitical-chemistry kinects
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Updated
Nov 26, 2025 - Jupyter Notebook