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1. dxtb dxtb Public

   Forked from grimme-lab/dxtb

   Efficient And Fully Differentiable Extended Tight-Binding

   Python

2. tad-mctc tad-mctc Public

   PyTorch Automatic Differentiation Utility for "tad" Projects.

   Python 1

3. tad-dftd3 tad-dftd3 Public

   Forked from dftd3/tad-dftd3

   PyTorch Autodiff DFT-D3 Implementation.

   Python

4. tad-dftd4 tad-dftd4 Public

   Forked from dftd4/tad-dftd4

   PyTorch Autodiff DFT-D4 Implementation.

   Python

5. tad-multicharge tad-multicharge Public

   PyTorch Autodiff Multicharge (Classical Charge Models).

   Python

6. tad-libcint tad-libcint Public

   PyTorch-based C-Interface for Integrals.

   C 1