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compare-geoms

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0.0.1 compare_geoms-0.0.1-py3-none-any.whl

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Project: compare-geoms
Version: 0.0.1
Filename: compare_geoms-0.0.1-py3-none-any.whl
Download: [link]
Size: 8824
MD5: 9fe81a1388240936516449572f697700
SHA256: 16ca55a4a006a0bcdf7df9be6816d687d17f475cd41eb24cad0c29ead7d7e3fe
Uploaded: 2024-01-06 11:35:43 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: compare_geoms
Version: 0.0.1
Summary: This package compares a list of molecular geometries to the geometries in large datasets.
Author-Email: Anup Kumar <kumaranu[at]lbl.gov>
License: BSD-3
Keywords: sella,transition1x
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Science/Research
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering
Classifier: Operating System :: Microsoft :: Windows
Classifier: Operating System :: Unix
Classifier: Operating System :: MacOS
Requires-Python: <3.13,>=3.9
Requires-Dist: numpy
Requires-Dist: pymatgen
Requires-Dist: black (>=23.7.0); extra == "dev"
Requires-Dist: docformatter (>=1.7.5); extra == "dev"
Requires-Dist: isort (>=5.12.0); extra == "dev"
Requires-Dist: pytest (>=7.4.0); extra == "dev"
Requires-Dist: pytest-cov (>=3.0.0); extra == "dev"
Requires-Dist: ruff (>=0.0.285); extra == "dev"
Requires-Dist: mkdocs-material (>=9.4.0); extra == "docs"
Requires-Dist: mkdocstrings[python] (>=0.22.0); extra == "docs"
Requires-Dist: mkdocs-gen-files (>=0.5.0); extra == "docs"
Requires-Dist: mkdocs-literate-nav (>=0.6.0); extra == "docs"
Requires-Dist: pillow (>=10.0.0); extra == "docs"
Requires-Dist: cairosvg (>=2.7.1); extra == "docs"
Provides-Extra: dev
Provides-Extra: docs
Description-Content-Type: text/markdown
License-File: LICENSE.md
[Description omitted; length: 86 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.42.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
comp.py sha256=qa5UhO2fHdNbtWDTH4GZNo5oZKM16aIDtqYhWlUEkeA 1872
compare_geoms/__init__.py sha256=gi49oVEy-4fPSH0-XstOzIIrthqDgMnddW2YTWoETiI 157
compare_geoms/data_loading.py sha256=GRviNnUC7riDMSsJwrScNztkjq5MtjNWVGY_4pDuM2Y 2910
compare_geoms/main.py sha256=LifVRHX5OApTGbSDq2mWE7lvodfpJDmPI7HTNoYy3sA 2672
compare_geoms/mol_graph_funcs.py sha256=ujRp6XhMCWqQdoKmbIVOHfjXFT6Xg-cWv9mylWEx1FI 1936
compare_geoms/molecule_processing.py sha256=Tlz_93k7Sy6dM9Zm6gYTV_LD6jZl_Wvk7Hd_SRK3tSc 2537
compare_geoms/py.typed sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
compare_geoms/examples/__init__.py sha256=r8aDIOEx0Zv2yxf_AGP7mKwwSSRFAXG_fyAPQXASUXs 24
compare_geoms/examples/sample.py sha256=5Htejmm6uqdaoht4HRyUDDF7sXum1xv8NOwPz89LFb0 1143
compare_geoms-0.0.1.dist-info/LICENSE.md sha256=PYoK27vvZgEyOfpcoIRgs6O00BQyfoiteS4oaH-s23o 1485
compare_geoms-0.0.1.dist-info/METADATA sha256=lhmaLt8OUyT76-zeinJWkF-WYMVAYfbiq0GAzgsDKJU 1708
compare_geoms-0.0.1.dist-info/WHEEL sha256=oiQVh_5PnQM0E3gPdiz09WCNmwiHDMaGer_elqB3coM 92
compare_geoms-0.0.1.dist-info/top_level.txt sha256=p4urp5zZvathqIgFWbh6UEABpV7Q4fHfjNOFmE9uyeg 19
compare_geoms-0.0.1.dist-info/RECORD — —

top_level.txt

comp
compare_geoms