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30 followers · 23 following
  • University of Bonn

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Achievement: Pair ExtraordinaireAchievement: Pull Sharkx2

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@grimme-lab

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JiashuLiang / GSCDB

Gold-Standard Chemical Database 138 (GSCDB138)

Roff 35 6 Updated Mar 19, 2026

grimme-lab / g-xtb

Development versions of the g-xTB method. Final implementation will not happen here but in tblite (https://github.com/tblite/tblite).

179 10 Updated May 14, 2026

susilehtola / OpenOrbitalOptimizer

Open Orbital Optimizer

C++ 35 5 Updated May 17, 2026