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@jeffrichardchemistry
jeffrichardchemistry
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Jefferson Richard Dias jeffrichardchemistry

Master's degree in theoretical chemistry and nuclear magnetic resonance. Experience in data science with ensemble models,neural networks(MLP, CNN) and QSAR/QSPR
  • Goiânia - Goiás - Brazil

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Jeff StatsJeff most languages

👨  Research fields

Theoretical Chemistry | Cheminformatics | Spectroscopy | Data Science | QSAR/QSPR/QSDAR

🚀  Skills

Programming

Jeff-pyJeff-RJeff-ShellScriptJeff-LinuxJeff-HTMLJeff-CSSJeff-MySQLJeff-Postgresql

🌎  Contacts:

Linkedin: JeffersonGmail BadgeGitHub Jefferson

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  1. pyECLATpyECLATPublic

    A package for association analysis using the ECLAT method.

    Python 26 6

  2. pyADApyADAPublic

    A cheminformatics package to perform Applicability Domain of molecular fingerprints based in similarity calculation.

    Jupyter Notebook 21 9

  3. pySiRCpySiRCPublic

    Simple web application for prediction of reaction rate constant through machine learning models using molecular fingerprints.

    Python 12 4

  4. SpectraFPSpectraFPPublic

    A package to perform fingerprints from spectroscopy datas.

    Jupyter Notebook 7 2

  5. spynspynPublic

    A software for ssnmr shield tensors calculations based on GIPAW method, Visualization of theoretical and experimental spectra, Conformer Generator with Genetic Algorithm and Boltzmann Probability o…

    Python 5

  6. molbokehmolbokehPublic

    A new python package to visualize molecules in dots hover

    Jupyter Notebook 12 1

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