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Packmol Python Packages

Python packages with the GitHub topic packmol. Sorted by relevance, with stars and monthly downloads.
zincware
molify

Create atomistic structures with ASE, rdkit and packmol

23K 25 2
jotelha
jlhpy

Contains input files and workflows underlying J. L. Hörmann, C. (刘宸旭) Liu, Y. (孟永钢) Meng, and L. Pastewka, “Molecular simulations of sliding on SDS surfactant films,” The Journal of Chemical Physics, vol. 158, no. 24, p. 244703, Jun. 2023, doi: 10.1063/5.0153397. as well as an installable Python package jlhpy.

197 1 0
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