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cooking
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cooking
  • Earth
  • 19:46 (UTC +02:00)

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@AstraZeneca @dftd4
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f3rmion/README.md

Hi there, I'm Eike 👋

Software engineer, quantum chemist, and great vegan cook!

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

Pinned

  1. AstraZeneca/jazzy AstraZeneca/jazzy Public

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

    Python 71 6

  2. AstraZeneca/kallisto AstraZeneca/kallisto Public

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

    Python 56 20

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

    SoBo regioselectivity model for the iridium-catalyzed borylation.

    Python 2

  4. grimme-lab/xtb grimme-lab/xtb Public

    Semiempirical Extended Tight-Binding Program Package

    Fortran 532 135

  5. dftd4/dftd4 dftd4/dftd4 Public

    Generally Applicable Atomic-Charge Dependent London Dispersion Correction

    Fortran 146 42

  6. f3rmion.github.io f3rmion.github.io Public

    HTML