/tools/GAML

GAML

orlandoacevedo/GAML

GitHub
force-fieldsimulationtoolmolecular-dynamics
15 stars4 forksPythonAdded February 8, 2026
summary

GAML is a Genetic Algorithm Machine Learning software package that automates the creation of force field parameters for molecular dynamics and Monte Carlo simulations. It emphasizes atomic charge development for solvent simulations and outputs files compatible with GROMACS, validating parameters against various physical properties.

description

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

topics

force-fieldchemistrysolventmachine-learning

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