Updated 6 months ago
https://github.com/paduagroup/fftool
Tool to build force field input files for molecular simulation
Updated 2 months ago
molify: Molecular Structure Interface
molify: Molecular Structure Interface - Published in JOSS (2025)
Updated 6 months ago
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.