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1. microsoft/skala microsoft/skala Public

   Skala exchange-correlation functional

   Python 129 15

2. grimme-lab/xtb grimme-lab/xtb Public

   Semiempirical Extended Tight-Binding Program Package

   Fortran 711 176

3. tblite/tblite tblite/tblite Public

   Light-weight tight-binding framework

   Fortran 165 53

4. fortran-lang/fpm fortran-lang/fpm Public

   Fortran Package Manager (fpm)

   Fortran 983 114

5. dftd4/dftd4 dftd4/dftd4 Public

   Generally Applicable Atomic-Charge Dependent London Dispersion Correction

   Fortran 200 56

6. toml-f/toml-f toml-f/toml-f Public

   TOML parser implementation for data serialization and deserialization in Fortran

   Fortran 117 30