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aleimi

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0.0.2 aleimi-0.0.2-py3-none-any.whl

Wheel Details

Project: aleimi
Version: 0.0.2
Filename: aleimi-0.0.2-py3-none-any.whl
Download: [link]
Size: 26487
MD5: a40a21d053ad6ccd01fdee147c95ebc3
SHA256: 93702955818a9cf6aed70c49b3c5dd18e0550f2f6907db52b2a0b7aaa78e436a
Uploaded: 2023-12-15 22:26:37 +0000

dist-info

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

METADATA

Metadata-Version: 2.1
Name: aleimi
Version: 0.0.2
Summary: Stochastic Conformation Analysis at semi empirical level with ab initio refinement for small molecules
Author-Email: Alejandro Martínez-León <ale94mleon[at]gmail.com>
Project-Url: Hompage, https://github.com/ale94mleon/aleimi
Project-Url: Discussions, https://github.com/ale94mleon/aleimi/discussions
Project-Url: Documentation, https://aleimi.readthedocs.io/en/latest/
Project-Url: Issues, https://github.com/ale94mleon/aleimi/issues
Keywords: science,chemistry,biology,drug-design
Classifier: Development Status :: 2 - Pre-Alpha
Classifier: Operating System :: POSIX :: Linux
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: Apache Software License
Classifier: Programming Language :: Python :: 3
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 :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Requires-Python: >=3.8
Requires-Dist: numpy
Requires-Dist: pandas
Requires-Dist: rdkit
Requires-Dist: rmsd
Requires-Dist: pyyaml
Requires-Dist: pytest; extra == "test"
Requires-Dist: pytest-cov; extra == "test"
Provides-Extra: test
Description-Content-Type: text/x-rst
License-File: LICENSE
[Description omitted; length: 5370 characters]

WHEEL

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

RECORD

Path Digest Size
aleimi/__init__.py sha256=JzcGDVlVdAhTRdiN_p8Og-bNvrUtNTkKPpydCrDgM5c 297
aleimi/_version.py sha256=QvlVh4JTl3JL7jQAja76yKtT-IvF4631ASjWY1wS6AQ 22
aleimi/boltzmann.py sha256=224uDxLdfN24CyWLcvEbB6c7S70vRI5-vfOYFE3nyLQ 11498
aleimi/cli.py sha256=vdromWPjeo0az0uDxS0w17xik6uPkBTP9-5YDhNW0Ok 4908
aleimi/confgen.py sha256=CK1o7z-iyRwxfAuWbyGhU14jxrwjb8d_J2Xj4kUcdJ4 12215
aleimi/extractor.py sha256=UjKsRvLV-dtNsDKAD5laA-G5yFvi2_JLpzwuHBwsVds 5279
aleimi/processed.py sha256=9-EDcCZU_btFuDviZrVmhxDFY-avAe_Y2kdJSMkp4NE 7127
aleimi/templates.py sha256=puRJgJCg6ZB1aSrsVAWgHFqnMeMx-buQaVw3UHWlTrs 26228
aleimi/utils.py sha256=Gh_rwDxDUkCk-nI7WzipVTWsNWRks6r7_fTIvwkk2Xg 2641
aleimi-0.0.2.dist-info/LICENSE sha256=xx0jnfkXJvxRnG63LTGOxlggYnIysveWIZ6H3PNdCrQ 11357
aleimi-0.0.2.dist-info/METADATA sha256=OLuTJ9-heDIWl00d7c2IiIfS74hurQss9xGQ_Y83JAA 6838
aleimi-0.0.2.dist-info/WHEEL sha256=oiQVh_5PnQM0E3gPdiz09WCNmwiHDMaGer_elqB3coM 92
aleimi-0.0.2.dist-info/entry_points.txt sha256=csdTenO8mXCntf_drsZTOXa1BUAJhoUI-UaiPDtXz_k 102
aleimi-0.0.2.dist-info/top_level.txt sha256=B_Ohs7BaQUu_JLOkPS3-WGezppkR7ssxkdkb53BtSd0 7
aleimi-0.0.2.dist-info/RECORD — —

top_level.txt

aleimi

entry_points.txt

[console_scripts]
aleimi-processed = aleimi.cli:_aleimi_processed
aleimi-run = aleimi.cli:_aleimi_run