.coveragerc
.gitignore
.readthedocs.yml
AUTHORS.rst
CHANGELOG.rst
CONTRIBUTING.rst
LICENSE.txt
README.rst
environment.yml
otherModels.py
pyproject.toml
requirements.txt
setup.cfg
setup.py
tox.ini
data_sources/MP_modulus.json
data_sources/composition_order.csv
data_sources/similarity_matrix.csv
data_sources/small_test_set.json
docs/Makefile
docs/authors.rst
docs/changelog.rst
docs/conf.py
docs/contributing.rst
docs/index.rst
docs/license.rst
docs/readme.rst
docs/requirements.txt
docs/_static/.gitignore
examples/direct_GRID_calculation_without_files.py
examples/recreate_bulk_moduli_results.py
src/gridrdf/__init__.py
src/gridrdf/composition.py
src/gridrdf/data_explore.py
src/gridrdf/data_io.py
src/gridrdf/data_prepare.py
src/gridrdf/earth_mover_distance.py
src/gridrdf/extendRDF.py
src/gridrdf/misc.py
src/gridrdf/otherRDFs.py
src/gridrdf/train.py
src/gridrdf/visualization.py
src/gridrdf.egg-info/PKG-INFO
src/gridrdf.egg-info/SOURCES.txt
src/gridrdf.egg-info/dependency_links.txt
src/gridrdf.egg-info/not-zip-safe
src/gridrdf.egg-info/requires.txt
src/gridrdf.egg-info/top_level.txt
tests/__init__.py
tests/conftest.py
tests/test_composition.py
tests/test_data_prepare.py
tests/test_earth_mover_distance.py
tests/test_extendRDF.py
tests/fixtures/D_containing.cif
tests/fixtures/Hf5CuSn3.cif
tests/fixtures/pero_lattice.json
tests/fixtures/pero_grids/filtered.json
tests/fixtures/pero_grids/pero_latt_3.0
tests/fixtures/pero_grids/pero_latt_3.05
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tests/fixtures/pero_grids/pero_latt_3.2
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