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chemlg

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0.9 chemlg-0.9-py3-none-any.whl

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Project: chemlg
Version: 0.9
Filename: chemlg-0.9-py3-none-any.whl
Download: [link]
Size: 31543
MD5: 85dc74d09678c70e57bc35a3bb0f7abc
SHA256: 7c6a0b7cde88df16cd9c669d602b2fc7b3c53247460b0053561a341d7ea70417
Uploaded: 2020-08-09 20:30:58 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: chemlg
Version: 0.9
Summary: ChemLG is a smart and massive parallel molecular library generator for chemical and materials sciences.
Author: Mohammad Atif Faiz Afzal, Gaurav Vishwakarma, Johannes Hachmann
Author-Email: m27[at]buffalo.edu, gvishwak[at]buffalo.edu, hachmann[at]buffalo.edu
Project-Url: Source, https://github.com/hachmannlab/chemlg
Project-Url: url, https://hachmannlab.github.io/chemlg/
License: BSD-3C
Keywords: Library Generator,Molecular Library,Materials Science,Drug Discovery
Classifier: Development Status :: 4 - Beta
Classifier: Natural Language :: English
Classifier: Intended Audience :: Science/Research
Classifier: Programming Language :: Python :: 3.5
Classifier: Programming Language :: Python :: 3.6
Requires-Dist: future
Requires-Dist: six
Requires-Dist: numpy
Requires-Dist: pandas
Requires-Dist: scipy
Requires-Dist: sphinx; extra == "docs"
Requires-Dist: sphinxcontrib-napoleon; extra == "docs"
Requires-Dist: sphinx-rtd-theme; extra == "docs"
Requires-Dist: numpydoc; extra == "docs"
Requires-Dist: nbsphinx; extra == "docs"
Requires-Dist: pytest; extra == "tests"
Requires-Dist: pytest-cov; extra == "tests"
Requires-Dist: pytest-pep8; extra == "tests"
Requires-Dist: tox; extra == "tests"
Provides-Extra: docs
Provides-Extra: tests
[No description]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.33.6)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
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chemlg/libgen.py sha256=pWfxWEHmyNQRKCpHRVHZxALDz96x4CQjkMf5y225lf0 79394
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chemlg/templates/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
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chemlg/templates/genetic_algorithm_config.dat sha256=n7fB4R023IFjjPZ1AYbPAFPQlXTDwfK-yPuDkTBL5TA 237
chemlg-0.9.data/scripts/chemlgshell sha256=8-FfEC8DYfCHg9_v4FciDIspSBSYDjzh5byQZWCsdWM 3114
chemlg-0.9.dist-info/LICENSE sha256=srW9pRMJopPA11fAKNDvnl3yyiRyLUuHEcO7ffyMKcs 1540
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chemlg-0.9.dist-info/RECORD — —

top_level.txt

chemlg