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atomic-kernels

atomic-kernels is a Rust-first atomistic tooling project with Python bindings and viewer workflows built around ASE structures.

What is here

  • crates/ak-core: shared geometry and numerical primitives
  • crates/ak-vis: rendering and viewer functionality
  • crates/ak-py: Python bindings exposed through maturin
  • crates/ak-cli: command-line entry points
  • python/atomic_kernels: Python-side API and viewer session helpers
  • scripts/: usage-oriented examples and smoke tests