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quimica-computacional

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JuaoSea / Chemistry

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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
  • Updated Oct 21, 2025
  • Jupyter Notebook

micael-oliveira-ufam / lqtc-ufam

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Coordenado pelo Prof.º Dr. Kelson Mota Teixeira de Oliveira. Laboratório de Química Teórica e Computacional (LQTC) - Departamento de Química - Instituto de Ciências Exatas (ICE) - Universidade Federal do Amazonas (UFAM)

ufam bioinformatica docking-molecular lqtc-ufam quimica-quantica departamento-de-quimica instituto-ciencias-exatas laboratorio-quimica-teorica-computacional-ufam dinamica-molecular quimica-computacional
  • Updated Jul 7, 2023
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