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mgktools

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2.2.1 mgktools-2.2.1-py3-none-any.whl

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Project: mgktools
Version: 2.2.1
Filename: mgktools-2.2.1-py3-none-any.whl
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Size: 82716
MD5: c55f631cb447b54f3789428c30b9080c
SHA256: 23afd3daa76dc7b387593f42fa61ef3294c6792a186061ce6773f76dad40d333
Uploaded: 2024-11-03 01:21:00 +0000

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

METADATA

Metadata-Version: 2.1
Name: mgktools
Version: 2.2.1
Summary: Marginalized graph kernel library for molecular property prediction
Author: Yan Xiang
Author-Email: 1993.xiangyan[at]gmail.com
Home-Page: https://github.com/xiangyan93/mgktools
Classifier: Programming Language :: Python
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.10
Requires-Dist: scikit-learn (>=0.24.1)
Requires-Dist: tqdm (>=4.62.0)
Requires-Dist: hyperopt (>=0.2.5)
Requires-Dist: optuna (>=3.6.0)
Requires-Dist: scipy (>=1.6.2)
Requires-Dist: mendeleev (>=0.7)
Requires-Dist: rxntools (>=0.0.2)
Requires-Dist: pycuda (>=2022.1)
Requires-Dist: rdkit (>=2022.9.2)
Requires-Dist: deepchem (==2.7.2.dev20231207083329)
Requires-Dist: typed-argument-parser
Requires-Dist: ipython
License-File: LICENSE
[Description omitted; length: 1064 characters]

WHEEL

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Generator: setuptools (75.3.0)
Root-Is-Purelib: true
Tag: py3-none-any

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mgktools-2.2.1.dist-info/RECORD — —

top_level.txt

mgktools

entry_points.txt

[console_scripts]
mgk_embedding = mgktools.exe.run:mgk_embedding
mgk_hyperopt = mgktools.exe.run:mgk_hyperopt
mgk_hyperopt_multi_datasets = mgktools.exe.run:mgk_hyperopt_multi_datasets
mgk_kernel_calc = mgktools.exe.run:mgk_kernel_calc
mgk_model_evaluate = mgktools.exe.run:mgk_model_evaluate
mgk_optuna = mgktools.exe.run:mgk_optuna
mgk_optuna_multi_datasets = mgktools.exe.run:mgk_optuna_multi_datasets
mgk_read_data = mgktools.exe.run:mgk_read_data