Ecosyste.ms: Packages

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conda-forge.org "pyscf" keyword

simple-dftd3 0.6.0 💰
reimplementation of the DFT-D3 program
7 versions - Latest release: about 2 years ago - 3 dependent packages - 26 stars on GitHub
dftd4-python 3.4.0
Python interface for the generally applicable atomic-charge dependent London dispersion correction.
5 versions - Latest release: about 2 years ago - 1 dependent repositories - 112 stars on GitHub
dftd4 3.4.0
This program implements the D4 London dispersion correction for molecular and 3D periodic systems.
7 versions - Latest release: about 2 years ago - 2 dependent packages - 1 dependent repositories - 112 stars on GitHub