LICENSE
README.md
pyproject.toml
setup.py
src/unipka/__init__.py
src/unipka/assets.py
src/unipka/unipka.py
src/unipka/version.py
src/unipka.egg-info/PKG-INFO
src/unipka.egg-info/SOURCES.txt
src/unipka.egg-info/dependency_links.txt
src/unipka.egg-info/requires.txt
src/unipka.egg-info/top_level.txt
src/unipka/_internal/__init__.py
src/unipka/_internal/conformer.py
src/unipka/_internal/coordinates.py
src/unipka/_internal/dataset.py
src/unipka/_internal/dict.py
src/unipka/_internal/draw.py
src/unipka/_internal/solvation.py
src/unipka/_internal/template.py
src/unipka/_internal/widget.py
src/unipka/_internal/model/__init__.py
src/unipka/_internal/model/transformer.py
src/unipka/_internal/model/unimol.py
src/unipka/_internal/model/utils.py
src/unipka/data/simple_smarts_pattern.tsv
src/unipka/data/smarts_pattern.tsv
src/unipka/data/weights.kpuu.npz
tests/test_unipka.py