LAMMPS

VASP is a commercial electronic structure software package, often used for atomistic simulations. As such, it competes with LAMMPS for certain types of materials simulations, though they operate on different levels of theory and timescales.

GROMACS is a molecular dynamics package primarily focused on biomolecular systems. It competes with LAMMPS in the broader molecular dynamics simulation space, particularly for biological systems.

Quantum Espresso is a suite for electronic structure calculations based on density functional theory (DFT). It competes with LAMMPS (which can use Quantum Espresso to provide potential energy and forces) for some atomistic simulation applications, especially when high accuracy is needed. More generally, Quantum Espresso focuses on electronic structure, while LAMMPS is for dynamics

CUDA is a parallel computing platform and programming model developed by Nvidia. LAMMPS can utilize CUDA to accelerate simulations on GPUs, making it a complementary technology.

Python is a popular scripting language often used to pre-process LAMMPS input files, post-process simulation data, and control workflows. Therefore, it is a complementary technology.

PyTorch can be used with LAMMPS for machine-learning interatomic potentials (MLIAPs), enabling more accurate and efficient simulations. It's a complementary technology for advanced modeling within LAMMPS.