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qsarKit

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0.0.1 qsarKit-0.0.1-py3-none-any.whl

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Project: qsarKit
Version: 0.0.1
Filename: qsarKit-0.0.1-py3-none-any.whl
Download: [link]
Size: 36683
MD5: 160c307e81f5b941dad808ac6a9d1a21
SHA256: b3864ef4740789e70bbc3df11241aff802a5e9606b39e69c6aefa5ce035d2e41
Uploaded: 2024-05-08 15:53:36 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: qsarKit
Version: 0.0.1
Summary: A Python package that offers robust predictive modeling using QSAR for evaluating the transfer of environmental contaminants in breast milk. It integrates multiple predictive models, provides synthetic data generation via GANs, and is tailored for researchers and health professionals.
Author: Tahiri Lab
Author-Email: Tahiri Lab <nadia.tahiri[at]usherbrooke.ca>
Home-Page: https://github.com/tahiri-lab/QSAR
Project-Url: Homepage, https://github.com/tahiri-lab/QSAR
Keywords: QSAR,Machine Learning,Chemoinformatics,Drug Discovery,Models,Metrics
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: ==3.10.*
Requires-Dist: catboost (~=1.2.2)
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Requires-Dist: jax (~=0.4.20)
Requires-Dist: keras (~=2.12.0)
Requires-Dist: matplotlib (~=3.8.1)
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Requires-Dist: pandas (~=2.1.3)
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Requires-Dist: scipy (~=1.11.3)
Requires-Dist: seaborn (~=0.13.0)
Requires-Dist: statsmodels (~=0.14.0)
Requires-Dist: torch (~=2.0.0)
Requires-Dist: tqdm (~=4.66.1)
Requires-Dist: xgboost (~=2.0.2)
Requires-Dist: tensorflow (~=2.12.0)
Requires-Dist: ipython (~=8.21.0)
Requires-Dist: sphinx-rtd-theme (~=2.0.0)
Requires-Dist: PyYAML (~=6.0.1)
Requires-Dist: flake8; extra == "dev"
Requires-Dist: pytest; extra == "dev"
Requires-Dist: pytest-cov; extra == "dev"
Requires-Dist: pylint; extra == "dev"
Requires-Dist: black; extra == "dev"
Requires-Dist: isort; extra == "dev"
Provides-Extra: dev
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 4844 characters]

WHEEL

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Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
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qsar/gan/__init__.py sha256=IwXPFxKYCRKGUES9SprZrztbcY0-uGwxzWnFe-Py19I 100
qsar/gan/extract_descriptors.py sha256=v0SZ2sRM4V-a5Yjy_9eSLz6urBUgKeF3jlLS6OG_DnM 1446
qsar/gan/gan_featurizer.py sha256=qSyHTqlZeXJ4-WVTq0v99Bht0Ln75U51ggg0VjXuYI8 4297
qsar/gan/qsar_gan.py sha256=sIGpknzMynMJ-VshrUN7POfIpQ7j_PKiJXaITz9oW9c 3664
qsar/models/__init__.py sha256=xVxlpYsjEuyOd0CiLHZf6v2dZthqq88aE8r7wgQ75Sw 181
qsar/models/baseline_model.py sha256=2_UP4K9DLwcCPhLDTRB5eaFtuGZnqFvmC1G4n1we9HQ 2403
qsar/models/catboost.py sha256=aOCBw-81O9Rean7YeRC54Qt2c-QkcOYX4nDcrGtwvTU 2577
qsar/models/elasticnet.py sha256=FEo46rw45Mb7r12_zL6oipm3XXio9akL5deKRkw2J_k 2103
qsar/models/lasso.py sha256=0jtvWK-mzQ4qcr4plP9I3KvxlPq51dJSWzDF2g5eIMY 2158
qsar/models/random_forest.py sha256=l2tZ9r0GqeVmjyye_Ya6nAOr_SdYZZmOX5wDaRwGckg 2103
qsar/models/ridge.py sha256=rPiFoIxEfHN7bEOyYfhzIq7fy_zUlgu2aBOjpJ3r4cQ 2219
qsar/models/xgboost.py sha256=slcaQ8wb1Y05quZgFmWhSAHd69566ipB1DPn1jfwAH4 2552
qsar/preprocessing/__init__.py sha256=T5K-Ix9YpdJD48_1K651VVPp7WKU3AQhsMLRUQpbtxs 80
qsar/preprocessing/custom_preprocessing.py sha256=okjVrZMxpASUNsXhln19Cz1FsXmhxfhJdOrdRTjb_eM 5574
qsar/preprocessing/feature_selector.py sha256=RX4j5_pilShDB6sZIB4YzendiirM5ddknCaaVBj9PWc 23845
qsar/utils/__init__.py sha256=liyVpjuAuBSOuR7qW0WNJlImlt2DIoSjWqkns18tyPE 132
qsar/utils/cross_validator.py sha256=X3-1Rwp9mQXVTQLBzmNtjYfok_j7iThgiL69Gyddgfo 6739
qsar/utils/extractor.py sha256=UGeu3p76APuERmGgh8vNJQZZwxePKpBD-_M_Im1szz0 3334
qsar/utils/hyperparameter_optimizer.py sha256=u59tnkuhWG1noZZaJxGT_sHGCHIPkfiz_VyaIFlXxTY 2998
qsar/utils/visualizer.py sha256=FTsNE3UwNUxoSQMUc_YVHemzccp1fjjmu6kQ8uv8Dkw 11725
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tests/test_qsar_gan_featurizer.py sha256=SVeKuiyYoXZVnTsZKLSGclnxBfzaEeyeAiUCt-Pogkc 1888
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qsarKit-0.0.1.dist-info/RECORD — —

top_level.txt

qsar
tests