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f3rmion/README.md

Hi there, I'm Eike 👋

Software engineer, researcher, and great vegan cook!

  • 🔭 Currently working as Senior Data Engineer within the web3 space.
  • 👯 Building protocols on blockchains.

Pinned Loading

  1. AstraZeneca/jazzy AstraZeneca/jazzy Public

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

    Python 86 7

  2. AstraZeneca/kallisto AstraZeneca/kallisto Public

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

    Python 66 21

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

    SoBo regioselectivity model for the iridium-catalyzed borylation.

    Python 4

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

    Semiempirical Extended Tight-Binding Program Package

    Fortran 713 178

0