Repositories list

• tad-dftd3

  Public
  PyTorch Autodiff DFT-D3 Implementation.

  automatic-differentiationpytorchquantum-chemistry+ 1dispersion-correction

  Python

  •

  Apache License 2.0

  •6•16•0•1•Updated Dec 23, 2024Dec 23, 2024

• simple-dftd3

  Public
  Library first implementation of the D3 dispersion correction

  computational-chemistryquantum-chemistryase+ 3pyscfdispersion-correctionqcschema

  Fortran

  •

  GNU Lesser General Public License v3.0

  •29•57•9•2•Updated Dec 20, 2024Dec 20, 2024

• simple-dftd3-feedstock

  Public
  A conda-smithy repository for simple-dftd3.

  Shell

  •

  BSD 3-Clause "New" or "Revised" License

  •4•0•0•0•Updated Nov 17, 2024Nov 17, 2024

• dftd3-python-feedstock

  Public
  A conda-smithy repository for dftd3-python.

  Shell

  •

  BSD 3-Clause "New" or "Revised" License

  •4•0•0•0•Updated Nov 16, 2024Nov 16, 2024