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f3rmion/README.md

Hi there, I'm Eike 👋

Software engineer, quantum chemist, and great vegan cook!

  • 🔭 Currently working as Lead Data Engineer within the pharmaceutical industry.
  • 🌱 On my way to expand my data structure, algorithms, and cryptography knowledge.
  • 👯 Building protocols on Ethereum.

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  1. AstraZeneca/jazzy Public

    Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.

    Python 81 6

  2. AstraZeneca/kallisto Public

    Efficiently calculate 3D-features for quantitative structure-activity relationship approaches.

    Python 64 21

  3. C-H-activation/ICB-workflow Public

    SoBo regioselectivity model for the iridium-catalyzed borylation.

    Python 3

  4. grimme-lab/xtb Public

    Semiempirical Extended Tight-Binding Program Package

    Fortran 643 158

159 contributions in the last year

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April 2025

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