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  1. LNCI16-Benchmark-Set LNCI16-Benchmark-Set Public

    Forked from grimme-lab/benchmark-LNCI16

    A benchmark set for non-covalent interaction energies of very large structures (up to 2000 atoms)

  2. tblite tblite Public

    Forked from tblite/tblite

    Light-weight tight-binding framework

    Fortran

  3. xtb xtb Public

    Forked from grimme-lab/xtb

    Semiempirical Extended Tight-Binding Program Package

    Fortran