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posebusters

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0.3.1 posebusters-0.3.1-py3-none-any.whl

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Project: posebusters
Version: 0.3.1
Filename: posebusters-0.3.1-py3-none-any.whl
Download: [link]
Size: 552676
MD5: c4f68df09b8d315da527d54b47a994b6
SHA256: a6d1437d0eb3e0fe13ad73b5c4efdc8c0914ceadd904cde55b2a9835bf591a9d
Uploaded: 2024-08-13 08:01:25 +0000

dist-info

METADATA · WHEEL · RECORD · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: posebusters
Version: 0.3.1
Summary: PoseBusters: Plausibility checks for generated molecule poses.
Author-Email: Martin Buttenschoen <martin.buttenschoen[at]stats.ox.ac.uk>
Project-Url: Documentation, https://posebusters.readthedocs.io/en/latest/
Project-Url: Source, https://github.com/maabuu/posebusters/
Project-Url: Tracker, https://github.com/maabuu/posebusters/issues/
Keywords: posebusters,docking,tests,metric
Classifier: Development Status :: 3 - Alpha
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: BSD License
Classifier: Programming Language :: Python :: 3 :: Only
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: Programming Language :: Python :: 3.12
Classifier: Operating System :: OS Independent
Requires-Python: ~=3.8
Requires-Dist: rdkit (>=2020.09)
Requires-Dist: pandas
Requires-Dist: numpy
Requires-Dist: pyyaml
Requires-Dist: ruff; extra == "dev"
Requires-Dist: ipython; extra == "docs"
Requires-Dist: nbsphinx; extra == "docs"
Requires-Dist: sphinx_rtd_theme; extra == "docs"
Requires-Dist: sphinx-hoverxref; extra == "docs"
Requires-Dist: sphinx; extra == "docs"
Requires-Dist: sphinxcontrib-programoutput; extra == "docs"
Requires-Dist: pre-commit; extra == "test"
Requires-Dist: pytest; extra == "test"
Requires-Dist: pytest-cov; extra == "test"
Provides-Extra: dev
Provides-Extra: docs
Provides-Extra: test
Description-Content-Type: text/markdown
[Description omitted; length: 2694 characters]

WHEEL

Wheel-Version: 1.0
Generator: flit 3.9.0
Root-Is-Purelib: true
Tag: py3-none-any

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entry_points.txt

[console_scripts]
bust = posebusters.cli:main