velvet vs dreid-kernel vs potentials

Classical atomistic simulation engine with a focus on user-friendliness and extensibility

A high-performance, no-std Rust library providing pure mathematical primitives and stateless energy kernels for the DREIDING force field.

A lightweight Rust library for classical molecular dynamics potentials, providing modular force field components (LJ, bonds, angles, torsions) for major systems like DREIDING, AMBER, and GROMOS, with high-performance, branchless kernels in no-std scientific computing.