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1. FLEUR FLEUR Public

   Full-potential Linearized Augmented Plane Wave code FLEUR: All-electron DFT (repo mirror)

   Fortran 12 2

2. JuKKR JuKKR Public

   Full-potential Korringa-Kohn-Rostoker Green function code JuKKR: All-electron DFT (repo mirror)

   Fortran 6 3

3. aiida-fleur aiida-fleur Public

   AiiDA plugin of the high-performance density functional theory code FLEUR (www.judft.de) for high-throughput electronic structure calculations.

   Python 14 8

4. aiida-kkr aiida-kkr Public

   AiiDA plugin of the high-performance density functional theory code JuKKR (www.judft.de) for high-throughput electronic structure calculations.

   Python 14 10

5. masci-tools masci-tools Public

   Post-processing toolkit for electronic structure calculations

   Python 17 10

6. best-of-atomistic-machine-learning best-of-atomistic-machine-learning Public

   🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.

   413 38