Updated 9 months ago

foyer • Rank 14.7 • Science 77%

A package for atom-typing as well as applying and disseminating forcefields

Updated 9 months ago

gaml • Rank 6.0 • Science 33%

Genetic Algorithm Machine Learning (GAML) software package for automated force field parameterization.

Updated 9 months ago

https://github.com/paduagroup/fftool • Science 36%

Tool to build force field input files for molecular simulation