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0.0.9 chem_ant-0.0.9-py3-none-any.whl

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Project: chem-ant
Version: 0.0.9
Filename: chem_ant-0.0.9-py3-none-any.whl
Download: [link]
Size: 27616
MD5: 2d5daaca82fc91142983e774f9b9bb4e
SHA256: c05e77befdff8d78f54bccde31c70363743d5f89571b394089394dfa94f175b2
Uploaded: 2023-12-15 12:01:28 +0000

dist-info

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

METADATA

Metadata-Version: 2.1
Name: chem-ant
Version: 0.0.9
Summary: Select materials to output molecules similar to the target molecule with MCTS Solver and Genetic Programming.
Author: Akihiro Kuroiwa, ChatGPT of OpenAI
Author-Email: akuroiwa[at]env-reform.com,
Home-Page: https://github.com/akuroiwa/chem-ant
License: GNU/GPLv3+
Keywords: evolutionary algorithms,genetic programming,gp,mcts,mcts solver,cheminformatics,chemoinformatics
Classifier: Development Status :: 3 - Alpha
Classifier: Environment :: Console
Classifier: Intended Audience :: Developers
Classifier: Intended Audience :: Science/Research
Classifier: Intended Audience :: Education
Classifier: Operating System :: OS Independent
Classifier: License :: OSI Approved :: GNU General Public License v3 or later (GPLv3+)
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Topic :: Scientific/Engineering
Classifier: Topic :: Software Development
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Medical Science Apps.
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Platform: any
Requires-Python: >=3.7, !=3.10.*
Requires-Dist: deap
Requires-Dist: global-chem-extensions
Requires-Dist: mcts
Requires-Dist: mcts-solver
Requires-Dist: pandas
Requires-Dist: rdkit-pypi
Requires-Dist: chem-classification; extra == "classification"
Requires-Dist: transformers; extra == "classification"
Provides-Extra: classification
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 200 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.41.3)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
chem_ant/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
chem_ant/similarity_ant.py sha256=GqYP-9PrR_o8NCUMZm3tWsb-GpCOCixSYxaKsnorVr0 15879
chem_ant/similarity_mcts.py sha256=uMmXwHIcOetY1fe9fUd3F45qqaG36X7A4K3F0lqLhSM 17616
chem_ant/smiles.csv sha256=KrLjMzgOH68sfz4fvyKCgb1y2BNUrhf7zN_AisEijIQ 6301
chem_ant-0.0.9.data/data/smiles.csv sha256=KrLjMzgOH68sfz4fvyKCgb1y2BNUrhf7zN_AisEijIQ 6301
chem_ant-0.0.9.dist-info/LICENSE sha256=OXLcl0T2SZ8Pmy2_dmlvKuetivmyPd5m1q-Gyd-zaYY 35149
chem_ant-0.0.9.dist-info/METADATA sha256=DkTSMN48KqWlHddbiZtvs0W9qZKcU4s07Rx3TTn-Ec0 1733
chem_ant-0.0.9.dist-info/WHEEL sha256=Xo9-1PvkuimrydujYJAjF7pCkriuXBpUPEjma1nZyJ0 92
chem_ant-0.0.9.dist-info/entry_points.txt sha256=sCAkHhwuQ96imVGCmyMD-iDZ5vN3FKmFqhMktuZapsU 194
chem_ant-0.0.9.dist-info/top_level.txt sha256=sWWa6gR5w-RB_5z4QbHzZRZYiOm6qIteN7voggrPQCc 9
chem_ant-0.0.9.dist-info/RECORD — —

top_level.txt

chem_ant

entry_points.txt

[console_scripts]
similarity-ant = chem_ant.similarity_ant:console_script
similarity-genMols = chem_ant.similarity_mcts:console_script2
similarity-mcts = chem_ant.similarity_mcts:console_script