MANIFEST.in
README.md
requirements.txt
setup.cfg
setup.py
docs/source/changes.rst
licences/.gitkeep
xenonpy/__doc__.py
xenonpy/__init__.py
xenonpy/__main__.py
xenonpy/_conf.py
xenonpy/conf.yml
xenonpy/utils.py
xenonpy.egg-info/PKG-INFO
xenonpy.egg-info/SOURCES.txt
xenonpy.egg-info/dependency_links.txt
xenonpy.egg-info/requires.txt
xenonpy.egg-info/top_level.txt
xenonpy/contrib/__init__.py
xenonpy/contrib/extend_descriptors/__init__.py
xenonpy/contrib/extend_descriptors/descriptor/__init__.py
xenonpy/contrib/extend_descriptors/descriptor/frozen_featurizer_descriptor.py
xenonpy/contrib/extend_descriptors/descriptor/mordred_descriptor.py
xenonpy/contrib/extend_descriptors/descriptor/organic_comp_descriptor.py
xenonpy/contrib/foo/__init__.py
xenonpy/contrib/foo/descriptor/__init__.py
xenonpy/contrib/foo/descriptor/foo.py
xenonpy/datatools/__init__.py
xenonpy/datatools/dataset.py
xenonpy/datatools/mdl.py
xenonpy/datatools/mp_ids.txt
xenonpy/datatools/preset.py
xenonpy/datatools/splitter.py
xenonpy/datatools/storage.py
xenonpy/datatools/transform.py
xenonpy/descriptor/__init__.py
xenonpy/descriptor/base.py
xenonpy/descriptor/compositions.py
xenonpy/descriptor/fingerprint.py
xenonpy/descriptor/frozen_featurizer.py
xenonpy/descriptor/structure.py
xenonpy/descriptor/graph/__init__.py
xenonpy/descriptor/graph/crystal_graph.py
xenonpy/inverse/__init__.py
xenonpy/inverse/base.py
xenonpy/inverse/iqspr/__init__.py
xenonpy/inverse/iqspr/estimator.py
xenonpy/inverse/iqspr/iqspr.py
xenonpy/inverse/iqspr/modifier.py
xenonpy/math/__init__.py
xenonpy/math/product.py
xenonpy/model/__init__.py
xenonpy/model/extern.py
xenonpy/model/nn/__init__.py
xenonpy/model/nn/base.py
xenonpy/model/nn/checker.py
xenonpy/model/nn/layer.py
xenonpy/model/nn/model_maker.py
xenonpy/model/nn/runner.py
xenonpy/model/nn/wrap.py
xenonpy/model/nn/graph/__init__.py
xenonpy/model/nn/graph/crystal_graph_cnn.py
xenonpy/pipeline/__init__.py
xenonpy/visualization/__init__.py
xenonpy/visualization/heatmap.py