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hoelzerC/README.md

Hi there 👋

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  1. grimme-lab/xtb grimme-lab/xtb Public

    Semiempirical Extended Tight-Binding Program Package

    Fortran 733 184

  2. grimme-lab/dxtb grimme-lab/dxtb Public

    Efficient And Fully Differentiable Extended Tight-Binding

    Python 111 20

  3. grimme-lab/lnqm grimme-lab/lnqm Public

    Large scale lanthanoid dataset

    Python 7 3

  4. grimme-lab/confrank grimme-lab/confrank Public

    ConfRank - Enhancing conformer ranking using pairwise training

    Python 7