Projects in Awesome Lists by dftd3
A curated list of projects in awesome lists by dftd3 .
https://github.com/dftd3/simple-dftd3
Library first implementation of the D3 dispersion correction
ase computational-chemistry dispersion-correction pyscf qcschema quantum-chemistry
Last synced: 25 Jan 2026
https://github.com/dftd3/tad-dftd3
PyTorch Autodiff DFT-D3 Implementation.
automatic-differentiation dispersion-correction pytorch quantum-chemistry
Last synced: 23 Jun 2025