grimme-lab/xtb

GitHub

Semiempirical Extended Tight-Binding Program Package

Fortran850 stars212 forksLGPL-3.0

atomistic-simulations computational-chemistry force-field quantum-chemistry tight-binding

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grimme-lab/xtb has 850 GitHub stars.

It currently ranks #19584 daily, #20375 weekly, #23042 monthly by momentum on Trending Repos; its best-ever rank is #513.

Trending Repos first recorded it on Jul 13, 2026.

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#195840.0

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#203750.0

Monthly

#230420.0

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Best rank #513

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