10 projects
tblite
Light-weight tight-binding framework
dftd4
Python API of the DFT-D4 project
dftd3
Python API of the DFT-D3 project
dxtb
Fully Differentiable Approach to Extended Tight Binding
tad-dftd4
Torch autodiff DFT-D4 implementation
tad-dftd3
Torch autodiff DFT-D3 implementation
tad-multicharge
Torch Autodiff implementation of charge models
tad-mctc
Torch Autodiff Utility
tad-libcint
"Torch Autodiff Libcint Interface"
xtb
Python API for the extended tight-binding program
