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

12K 85 36
dftd4
dftd4

Generally Applicable Atomic-Charge Dependent London Dispersion Correction

7K 225 61
dftd3
tad-dftd3

PyTorch Autodiff DFT-D3 Implementation.

3K 25 9