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Quantum Chemistry Trending Repositories

Explore GitHub Trending repositories tagged “quantum-chemistry”.

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cp2k/cp2k

Quantum chemistry and solid state physics software package

Fortran1,190491Built by@vondele@mkrack@oschuett@tlaino@juerghutter
grimme-lab/xtb

Semiempirical Extended Tight-Binding Program Package

Fortran833203Built by@awvwgk@foxtran@Albkat@MtoLStoN@marcelmbn
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