PyRank

Qcschema Python Packages

Python packages with the GitHub topic qcschema. 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