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average-minimum-distance

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1.5.3 average_minimum_distance-1.5.3-py3-none-any.whl

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Project: average-minimum-distance
Version: 1.5.3
Filename: average_minimum_distance-1.5.3-py3-none-any.whl
Download: [link]
Size: 102505
MD5: 7b2663f5d157a1a216db6d6516d3a94e
SHA256: dd7060b7a02dc9b6838d7e4a84a316ad97688cf9e50857cea0fa528ebcd3284f
Uploaded: 2024-03-16 21:38:50 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: average-minimum-distance
Version: 1.5.3
Summary: Descriptors of crystals based on geometry (isometry invariants).
Author-Email: Daniel Widdowson <D.E.Widdowson[at]liverpool.ac.uk>
Maintainer-Email: Daniel Widdowson <D.E.Widdowson[at]liverpool.ac.uk>
Project-Url: Documentation, https://average-minimum-distance.readthedocs.io/en/latest/
Project-Url: Source Code, https://github.com/dwiddo/average-minimum-distance/
Project-Url: Changelog, https://github.com/dwiddo/average-minimum-distance/blob/master/CHANGELOG.md
License: CC-BY-NC-SA-4.0
Keywords: isometry,invariant,descriptor,crystal,amd,pdd,similarity,average,minimum,pointwise,distance,cif
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: License :: Other/Proprietary License
Classifier: Natural Language :: English
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Mathematics
Requires-Python: >=3.7.1
Requires-Dist: numpy (>=1.21)
Requires-Dist: numba (>=0.55.2)
Requires-Dist: scipy (>=1.6.1)
Requires-Dist: joblib (>=1.1.0)
Requires-Dist: pandas (>=1.2.5)
Requires-Dist: gemmi (>=0.5.8)
Requires-Dist: tqdm (>=4.1.0)
Requires-Dist: scikit-learn (>=1.0.0)
Requires-Dist: csd-python-api; extra == "ccdc"
Requires-Dist: pytest; extra == "dev"
Requires-Dist: gemmi; extra == "gemmi"
Requires-Dist: pymatgen; extra == "pymatgen"
Provides-Extra: ccdc
Provides-Extra: dev
Provides-Extra: gemmi
Provides-Extra: pymatgen
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 8657 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.43.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

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average_minimum_distance-1.5.3.dist-info/RECORD — —

top_level.txt

amd

entry_points.txt

[console_scripts]
amd-compare = amd.cli:main