API_REFERENCE.md
CHANGELOG.md
INSTALL_GUIDE.md
LICENSE
MANIFEST.in
QUICKSTART.md
README.md
pyproject.toml
examples/01_basic_usage.py
examples/02_molecular_dynamics.py
examples/03_phonon_calculation.py
examples/04_adsorption_study.py
examples/05_high_throughput.py
examples/06_d3_correction.py
examples/07_batch_processing.py
examples/README.md
src/mace_inference/__init__.py
src/mace_inference/cli.py
src/mace_inference/core.py
src/mace_inference/py.typed
src/mace_inference/types.py
src/mace_inference.egg-info/PKG-INFO
src/mace_inference.egg-info/SOURCES.txt
src/mace_inference.egg-info/dependency_links.txt
src/mace_inference.egg-info/entry_points.txt
src/mace_inference.egg-info/requires.txt
src/mace_inference.egg-info/top_level.txt
src/mace_inference/tasks/__init__.py
src/mace_inference/tasks/adsorption.py
src/mace_inference/tasks/dynamics.py
src/mace_inference/tasks/mechanics.py
src/mace_inference/tasks/phonon.py
src/mace_inference/tasks/static.py
src/mace_inference/utils/__init__.py
src/mace_inference/utils/d3_correction.py
src/mace_inference/utils/device.py
src/mace_inference/utils/io.py
tests/__init__.py
tests/conftest.py
tests/test_cli.py
tests/test_core.py
tests/test_install.py
tests/test_utils.py