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MLDockKit

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0.1.1 mldockkit-0.1.1-py3-none-any.whl

Wheel Details

Project: MLDockKit
Version: 0.1.1
Filename: mldockkit-0.1.1-py3-none-any.whl
Download: [link]
Size: 4776570
MD5: af28bbe6acfbda7ac43fb74306071245
SHA256: de2cbc0c0a2e246c6e013ebf3861480db32f32e42f18f223df2f181865d2ad2c
Uploaded: 2025-03-07 13:05:42 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.2
Name: MLDockKit
Version: 0.1.1
Summary: Python package that calculates Lipinski descriptors, predicts pIC50, and performs docking
Author: Edwin Mwakio, Clabe Wekesa, Patrick Okoth
Author-Email: simiyu86wekesa[at]gmail.com
Home-Page: https://github.com/clabe-wekesa/MLDockKit
License: MIT
Classifier: Natural Language :: English
Classifier: Programming Language :: Python
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.9
Requires-Dist: rdkit
Requires-Dist: pandas
Requires-Dist: padelpy
Requires-Dist: joblib
Requires-Dist: scikit-learn
Requires-Dist: scipy
Requires-Dist: gemmi
Requires-Dist: numpy
Description-Content-Type: text/markdown
Dynamic: author
Dynamic: author-email
Dynamic: classifier
Dynamic: description
Dynamic: description-content-type
Dynamic: home-page
Dynamic: license
Dynamic: requires-dist
Dynamic: requires-python
Dynamic: summary
License-File: LICENSE
[Description omitted; length: 4546 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (75.8.2)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
MLDockKit/7te7_H_no_HOHandI0V.pdb sha256=yd5XQ_qLsiBh223K0V2iKC-oMbUd8w0QM3itUvnDOOM 383695
MLDockKit/7te7_original.pdb sha256=Peaeg9PsMfOnRifZnrQ6A9Lvw3cQtiGCkQugsftK1Uk 353403
MLDockKit/7te7_prepared.pdbqt sha256=hbTtFjsWWmbv6Roc2JRj6iziBszsKDveJPN1dNa4yk0 365243
MLDockKit/MLDockKit.py sha256=HWN94idS9bRBs-OteSw7halobsynLkYyp5nWQZuYqnk 14409
MLDockKit/__init__.py sha256=Z62abgpBL73nIHtHP7M_r6SmoVjrT8kSrf2YpXiOMw8 48
MLDockKit/padel_model.joblib sha256=ZvDN8MPfsmN7mCAuVKByPp3NmUBQ22CT5ORNCARHE-4 18881553
mldockkit-0.1.1.dist-info/LICENSE sha256=dOVlaR-ybxhI5o8j6S6s04Iyyy4ygVmaNDiSO1Ut8-Q 1142
mldockkit-0.1.1.dist-info/METADATA sha256=b0U1c6WK2G_j1SEq9tIluU2pDZycjntA-OSzIRe_LY4 5513
mldockkit-0.1.1.dist-info/WHEEL sha256=jB7zZ3N9hIM9adW7qlTAyycLYW9npaWKLRzaoVcLKcM 91
mldockkit-0.1.1.dist-info/top_level.txt sha256=EANDoKKH9qMKNAAOlXyQ4UrqtCkQVx6IFrlPad2QilI 10
mldockkit-0.1.1.dist-info/RECORD — —

top_level.txt

MLDockKit