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pypi.org "dispersion-correction" keyword

dftd3 1.7.0
Python API of the DFT-D3 project
14 versions - Latest release: 10 days ago - 3 dependent packages - 1 dependent repositories - 12.3 thousand downloads last month - 89 stars on GitHub - 2 maintainers
tad-dftd4 0.8.0
Torch autodiff DFT-D4 implementation
18 versions - Latest release: 8 months ago - 2.46 thousand downloads last month - 27 stars on GitHub - 1 maintainer
tad-dftd3 0.7.0
Torch autodiff DFT-D3 implementation
18 versions - Latest release: about 1 month ago - 1 dependent repositories - 2.71 thousand downloads last month - 25 stars on GitHub - 2 maintainers
Top 10.0% on pypi.org
dftd4 4.3.0
Python API of the DFT-D4 project
11 versions - Latest release: about 1 month ago - 3 dependent packages - 1 dependent repositories - 9.02 thousand downloads last month - 232 stars on GitHub - 1 maintainer
Related Keywords
quantum-chemistry 4 automatic-differentiation 2 pytorch 2 ase 2 computational-chemistry 2 fortran-package-manager 2 pyscf 2 qcschema 2 counter-poise-correction 1