Sebastian Ehlert

skala-cuda12x

Last released Jul 20, 2026

Skala Exchange Correlation Functional

skala

Last released Jul 20, 2026

Skala Exchange Correlation Functional

skala-cuda11x

Last released Jul 20, 2026

Skala Exchange Correlation Functional

microsoft-skala

Last released Jul 20, 2026

Skala Exchange Correlation Functional

skala-cuda13x

Last released Jul 20, 2026

Skala Exchange Correlation Functional

tblite

Last released Jul 13, 2026

Light-weight tight-binding framework

dft3c

Last released Jun 17, 2026

Density function theory with corrections, DFT-3c

dftd3

Last released May 6, 2026

Python API of the DFT-D3 project

sphinx-ford

Last released Apr 5, 2026

Sphinx domain for Fortran with FORD bridge

tad-dftd3

Last released Mar 24, 2026

Torch autodiff DFT-D3 implementation

openorbitaloptimizer-pyscf

Last released Mar 18, 2026

Python bindings for OpenOrbitalOptimizer SCF library

xtb

Last released Dec 31, 2022

Python API for the extended tight-binding program

fpm-metadata

Last released Oct 17, 2022

Python model for the Fortran package manifest