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enumerate-smiles

0.0.1.post1

enumerate_smiles-0.0.1.post1-py3-none-any.whl

Wheel Details

Project:	enumerate-smiles
Version:	0.0.1.post1
Filename:	enumerate_smiles-0.0.1.post1-py3-none-any.whl
Download:	[link]
Size:	10943
MD5:	`302747905bc94a2749c83c4088f48fd4`
SHA256:	`24a04a9b0a47e390a81a4b4630e72b34be031b17bb7a215742ec0bb173315446`
Uploaded:	2023-09-10 18:16:42 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version:	2.1
Name:	enumerate-smiles
Version:	0.0.1.post1
Summary:	Enumerate heterocycles, stereoisomers, tautomers and SMILES of molecules.
Author:	Olivier J. M. Béquignon
Author-Email:	"olivier.bequignon.maintainer[at]gmail.com"
Maintainer:	Olivier J. M. Béquignon
Maintainer-Email:	"olivier.bequignon.maintainer[at]gmail.com"
Home-Page:	https://github.com/OlivierBeq/enumerate-smiles
Download-Url:	https://github.com/OlivierBeq/enumerate-smiles/releases
Project-Url:	Bug Tracker, https://github.com/OlivierBeq/enumerate-smiles/issues
Project-Url:	Source Code, https://github.com/OlivierBeq/enumerate-smiles
License:	MIT
Keywords:	SMILES,enumeration,cheminformatics,snekpack,cookiecutter
Classifier:	Development Status :: 5 - Production/Stable
Classifier:	Environment :: Console
Classifier:	Intended Audience :: Developers
Classifier:	Intended Audience :: Science/Research
Classifier:	License :: OSI Approved :: MIT License
Classifier:	Operating System :: OS Independent
Classifier:	Framework :: Pytest
Classifier:	Framework :: tox
Classifier:	Framework :: Sphinx
Classifier:	Programming Language :: Python
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 :: Only
Requires-Dist:	numpy
Requires-Dist:	more-itertools
Requires-Dist:	rdkit
Requires-Dist:	tqdm
Requires-Dist:	bounded-pool-executor (==0.0.3)
Requires-Dist:	dimorphite-ojmb (>=1.2.5-post1)
Requires-Dist:	sphinx (<7); extra == "docs"
Requires-Dist:	sphinx-rtd-theme; extra == "docs"
Requires-Dist:	sphinx-autodoc-typehints; extra == "docs"
Requires-Dist:	sphinx-automodapi; extra == "docs"
Requires-Dist:	pytest; extra == "tests"
Requires-Dist:	coverage; extra == "tests"
Provides-Extra:	docs
Provides-Extra:	tests
License-File:	LICENSE

[No description]

WHEEL

Wheel-Version:	1.0
Generator:	bdist_wheel (0.41.2)
Root-Is-Purelib:	true
Tag:	py3-none-any

RECORD

Path	Digest	Size
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enumerate_smiles/__init__.py	sha256=0ua6z8X6zlv2oFU39zZpT9zqh6eeuGHXcUSTPduoyLQ	227
enumerate_smiles/main.py	sha256=13TfT4k6A9-LU-JmycnFLgNh9yASVe-SaDUyG7xGeqM	163
enumerate_smiles/smiles_enumeration.py	sha256=6dTQ8fCHqxWrwjqQccRAsezrqQLO6l-YDjk1biQxz84	23977
enumerate_smiles-0.0.1.post1.dist-info/LICENSE	sha256=8kOKNdp3jE3yFXfliFDtM-i8WNh2u-AQRzdm_3CrhP4	1092
enumerate_smiles-0.0.1.post1.dist-info/METADATA	sha256=usCLWiE7scnxbAJUZcICCJQf3PaY-x-Sx8lCwnVR7ww	1950
enumerate_smiles-0.0.1.post1.dist-info/WHEEL	sha256=yQN5g4mg4AybRjkgi-9yy4iQEFibGQmlz78Pik5Or-A	92
enumerate_smiles-0.0.1.post1.dist-info/top_level.txt	sha256=KPF33hXTSUNxUG6D5YTMwDLGE04Y0WFwQI3Mb3MffbI	17
enumerate_smiles-0.0.1.post1.dist-info/RECORD	—	—

top_level.txt

enumerate_smiles