Tool to build force field input files for molecular simulation
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Feb 20, 2025 - Python
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packmol
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Playmol is a(nother) software for building molecular models
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Mar 14, 2023 - Fortran
A SEAMM plug-in for building periodic boxes of fluid using Packmol
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Jun 21, 2025 - Python
The Simple Python Computational Chemistry Interface (SPyCCI) provides a simple interface to run calculation and analysis using a wide range of computational chemistry softwares.
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Jun 11, 2025 - Python
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.
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Jun 23, 2025 - Jupyter Notebook
M.Tech Project QMEL LAB IIT Kharagpur
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Nov 3, 2023 - Ruby
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