LICENSE.txt
README.md
pyproject.toml
setup.cfg
setup.py
scripts/sgdml_dataset_from_aims.py
scripts/sgdml_dataset_from_extxyz.py
scripts/sgdml_dataset_from_ipi.py
scripts/sgdml_dataset_to_extxyz.py
scripts/sgdml_dataset_via_ase.py
scripts/sgdml_datasets_from_model.py
sgdml/__init__.py
sgdml/cli.py
sgdml/get.py
sgdml/predict.py
sgdml/torchtools.py
sgdml/train.py
sgdml.egg-info/PKG-INFO
sgdml.egg-info/SOURCES.txt
sgdml.egg-info/dependency_links.txt
sgdml.egg-info/entry_points.txt
sgdml.egg-info/not-zip-safe
sgdml.egg-info/requires.txt
sgdml.egg-info/top_level.txt
sgdml/intf/__init__.py
sgdml/intf/ase_calc.py
sgdml/solvers/__init__.py
sgdml/solvers/analytic.py
sgdml/utils/__init__.py
sgdml/utils/desc.py
sgdml/utils/io.py
sgdml/utils/perm.py
sgdml/utils/ui.py