PyRank

Dispersion Correction Python Packages

Python packages with the GitHub topic dispersion-correction. Sorted by relevance, with stars and monthly downloads.
dftd3
dftd3

Library first implementation of the D3 dispersion correction

20K 81 36
dftd4
dftd4

Generally Applicable Atomic-Charge Dependent London Dispersion Correction

9K 215 62
dftd3
tad-dftd3

PyTorch Autodiff DFT-D3 Implementation.

6K 25 9