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working from ?
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Achievement: StarstruckAchievement: Arctic Code Vault ContributorAchievement: Pull Sharkx2

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QEF / q-e

Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.

Fortran 629 308 Updated Sep 3, 2025

tblite / tblite

Light-weight tight-binding framework

Fortran 168 54 Updated Aug 8, 2025

hutchisonlab / QupKake

Forked from Shualdon/QupKake

Machine Learning model for molecular micro-pKa prediction

Fortran 44 6 Updated Sep 28, 2024