/tools/moltemplate

moltemplate

jewettaij/moltemplate

311 stars104 forksPythonWebsiteAdded February 4, 2026
summary

Moltemplate is a cross-platform text-based molecule builder that prepares simulations for LAMMPS, supporting both coarse-grained and all-atom models. It facilitates the creation of molecular models using various force fields and integrates with other molecular modeling tools.

description

A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies

topics

molecule-builderlammpsmolecular-dynamicsforce-fieldscoarse-grained-molecular-dynamicsmolecule-editoroplsamberopen-sciencelammps-datalammps-toollammps-script-creator

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