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papyrus-scripts

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2.1.1 papyrus_scripts-2.1.1-py3-none-any.whl

Wheel Details

Project: papyrus-scripts
Version: 2.1.1
Filename: papyrus_scripts-2.1.1-py3-none-any.whl
Download: [link]
Size: 86269
MD5: d7112cc31b170e59fa00c21625cf5252
SHA256: 7e9a67bc59ed29f82d34d7c1619978e40573c8d7df176fd86403b7b9a1cfecf1
Uploaded: 2024-11-04 18:42:35 +0000

dist-info

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

METADATA

Metadata-Version: 2.1
Name: papyrus_scripts
Version: 2.1.1
Summary: A collection of scripts to handle the Papyrus bioactivity dataset
Author: Olivier J. M. Béquignon - Brandon J. Bongers - Willem Jespers
Author-Email: "olivier.bequignon.maintainer[at]gmail.com"
Maintainer: Olivier J. M. Béquignon
Maintainer-Email: "olivier.bequignon.maintainer[at]gmail.com"
Home-Page: https://github.com/OlivierBeq/Papyrus-scripts
Keywords: bioactivity data,QSAR,proteochemometrics,cheminformatics,modelling,machine learning
Classifier: Development Status :: 2 - Pre-Alpha
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.6
Requires-Dist: numpy
Requires-Dist: pandas
Requires-Dist: rdkit
Requires-Dist: requests
Requires-Dist: joblib
Requires-Dist: tqdm
Requires-Dist: mordred
Requires-Dist: swifter
Requires-Dist: scikit-learn
Requires-Dist: xgboost
Requires-Dist: pystow
Requires-Dist: prodec
Requires-Dist: sphinx; extra == "docs"
Requires-Dist: sphinx-rtd-theme; extra == "docs"
Requires-Dist: sphinx-autodoc-typehints; extra == "docs"
Requires-Dist: pytest; extra == "testing"
Requires-Dist: parameterized; extra == "testing"
Provides-Extra: docs
Provides-Extra: testing
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 9736 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (75.3.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
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papyrus_scripts/fingerprint.py sha256=Owu00JByva1cDlHFtrUGFs9iIsElX4oXHo6aa-d4_7k 10865
papyrus_scripts/matchRCSB.py sha256=_KoWzWO6U2_mVUOoIaaFfe4xrPB_v5xhEokSdPw1foA 7754
papyrus_scripts/modelling.py sha256=8UHQN2u1RWb4cV4MfhrHDq_L_CLLCGGByRaoJp1L0jM 63686
papyrus_scripts/neuralnet.py sha256=aN9DM0WtOHyyygJZ8_N16E31JHDZ4x-i8WTt45qMwgI 21303
papyrus_scripts/oop.py sha256=AOulsrVLZalqjEtsA-wtZgo8qq_rde2VLgo1I0QV9bc 43891
papyrus_scripts/preprocess.py sha256=AIgXeS6em_3f9Bl3tNQky8TSWQiuS9z6gWKSqmINRg4 49642
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papyrus_scripts/subsim_search.py sha256=df6aytTSZMiD6veAEd9uRfW-suRKQrnwUhpiQCSeOA0 49213
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papyrus_scripts/utils/__init__.py sha256=NqTlb47RicZqAxW5j8KGqbFpSW9VrQOSgMaQtTVQRMU 53
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papyrus_scripts/utils/links.json sha256=Cup1Hdfx-igErGAzTfJ-4Bvf4gkOr9dtPSZhTDHd7yk 20065
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papyrus_scripts/utils/mol_reader.py sha256=xTs28jHMHBAVge3Z-K2KvgZUpoUiDYg_vZcp--U6efk 13528
papyrus_scripts-2.1.1.dist-info/LICENSE sha256=PSoDhsVZ0qIU7Onm1c_PhBoMLLZeOaAOZnlsVVTfHAM 1088
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papyrus_scripts-2.1.1.dist-info/top_level.txt sha256=VCErJ5psirKzSHHRjDa34IcwRmgoNNbRW_L5pn6pWJo 16
papyrus_scripts-2.1.1.dist-info/RECORD — —

top_level.txt

papyrus_scripts

entry_points.txt

[console_scripts]
papyrus = papyrus_scripts.cli:main