libcoffee

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0.4.0 libcoffee-0.4.0-py3-none-any.whl

Wheel Details

Project: libcoffee
Version: 0.4.0
Filename: libcoffee-0.4.0-py3-none-any.whl
Download: [link]
Size: 16025
MD5: 930154295b02505bdf31c675818bca80
SHA256: cecf7a3860539fe43c5ae52abf97ca281956c50596516901f2c475e0e4e90e6b
Uploaded: 2025-04-04 06:25:41 +0000

dist-info

METADATA

Metadata-Version: 2.1
Name: libcoffee
Version: 0.4.0
Summary: A library for compound filtering via fragment-based efficient evaluation
Author: Keisuke Yanagisawa
Author-Email: yanagisawa[at]c.titech.ac.jp
Home-Page: https://github.com/akiyamalab/libcoffee
License: MIT
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Developers
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Requires-Dist: openbabel-wheel
Requires-Dist: rdkit
Requires-Dist: rdkit-stubs
Requires-Dist: numpy
Requires-Dist: pytest
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 201 characters]

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top_level.txt

libcoffee