useful-rdkit-utils

View on PyPIReverse Dependencies (0)

0.80 useful_rdkit_utils-0.80-py3-none-any.whl

Wheel Details

Project: useful-rdkit-utils
Version: 0.80
Filename: useful_rdkit_utils-0.80-py3-none-any.whl
Download: [link]
Size: 1354632
MD5: 2ef43732cae502a130718487be051064
SHA256: c4e9fa5e16fe7094e7377e6751ee77173bb954d623d18800b57cd5b7a88cc78f
Uploaded: 2025-03-13 01:55:07 +0000

dist-info

METADATA

Metadata-Version: 2.4
Name: useful_rdkit_utils
Version: 0.80
Summary: A collection of useful RDKit functions
Author-Email: Pat Walters <wpwalters[at]gmail.com>
Project-Url: Homepage, https://github.com/PatWalters/useful_rdkit_utils
Project-Url: Bug Tracker, https://github.com/PatWalters/useful_rdkit_utils/issues
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3
Requires-Python: >=3.11
Requires-Dist: click
Requires-Dist: dataclasses
Requires-Dist: numpy
Requires-Dist: pandas
Requires-Dist: py3dmol
Requires-Dist: pyarrow
Requires-Dist: pystow
Requires-Dist: rdkit
Requires-Dist: scikit-learn
Requires-Dist: scipy
Requires-Dist: seaborn
Requires-Dist: tqdm
Requires-Dist: umap-learn
Requires-Dist: click; extra == "cli"
Requires-Dist: pytest; extra == "tests"
Requires-Dist: py3dmol; extra == "viz"
Requires-Dist: seaborn; extra == "viz"
Provides-Extra: cli
Provides-Extra: tests
Provides-Extra: viz
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 1142 characters]

WHEEL

Wheel-Version: 1.0
Generator: hatchling 1.27.0
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
useful_rdkit_utils/Untitled.ipynb sha256=FNC32diGON0lNBbK_plf2QAdQM13Vq_mVx8xzMiLHFA 296802
useful_rdkit_utils/Untitled1.ipynb sha256=8dQi0M9emrbehxooAsm2LFStCsYuNFbgzzBVQZtgAls 50072
useful_rdkit_utils/Untitled2.ipynb sha256=DQBQdq1SfZewZ5NwN-qHIJ_jFDIPo6p7cG1Dwog-_CU 63638
useful_rdkit_utils/__init__.py sha256=R7BtBr_49k9KmUCDPNQgzA31Ct4ff-wxQsVWzNBvrkY 420
useful_rdkit_utils/descriptors.py sha256=ZzMnsv9cpoRC9gCqqLaHW3fvgrbD6JUfu5dlHfTk4JY 12406
useful_rdkit_utils/geometry.py sha256=F6UPtnJrAcF7BjV-xwjRU_Fh8rwQ6HMvPuvm5ejL7i0 3859
useful_rdkit_utils/jupyter_utils.py sha256=20_6IXEMIYhdpuTj-B87-wTwHBdzVXRG4F5sYECJwxk 1586
useful_rdkit_utils/misc_utils.py sha256=syq5yl3tuiXDDmXa24P6OC7V2UYmUN0vr00MaZBKdx4 4977
useful_rdkit_utils/pandas_utils.py sha256=AgkUCTVeVb50jfDh7JznOqQOfIrHXAK-7q8okBZuYm0 1580
useful_rdkit_utils/reactions.py sha256=IY4-rB6Spmm3-LEOD3wLDnQ54wUmTQqc-6DWEJPUAuY 4157
useful_rdkit_utils/reos.py sha256=Y643036nLIfghNPjZqs-fFVEVm2efdgMog8jCaGrxNQ 7247
useful_rdkit_utils/ring_systems.py sha256=Bnus88DKv_mHtTO5L3NvJCQKm24nq9FaVVfF8WiA4MU 12077
useful_rdkit_utils/scaffold_finder.py sha256=KhVoWaSYPo7TlX_aQ6IlpnxTy-xIMShBSYrK2UmJehw 5858
useful_rdkit_utils/seaborn_utils.py sha256=1uOZu4H36wZDlwceJGXzzmucFi3GMX1f4ieUWFY1JBA 425
useful_rdkit_utils/silly_walks.bak sha256=TKk1M1ZxbkHL5eebsrKDUIk1TQM1URJoO2G-00teq4k 29761
useful_rdkit_utils/silly_walks.json sha256=TKk1M1ZxbkHL5eebsrKDUIk1TQM1URJoO2G-00teq4k 29761
useful_rdkit_utils/silly_walks.npy sha256=2NMC5i14-SB7dEWWYB-GCAaARWAHup6rl9BNixOrifA 32896
useful_rdkit_utils/silly_walks.py sha256=SVGvMc7YZ5O8IHM60mMWhRdnoywcMec6nfHrs4B5IKQ 3318
useful_rdkit_utils/split_utils.py sha256=KZa8D7-Hi6XmJB7mPaplhcvH7_kwa9v3sHG286ckfno 7478
useful_rdkit_utils/stat_utils.py sha256=BAWxUenV23KILNb4BLaF7A0LPJQV9ssg6aKi_xwi-3c 2975
useful_rdkit_utils/units.py sha256=G9dSeuxYbCYRt7UjVd7Mfu2nYYit82Opa3-c8K58Q9E 1081
useful_rdkit_utils/data/ring_systems/chembl_ring_systems.parquet sha256=04dlUKb7flHZPs-i28bMKt_FUkcCUKI7Wt_YNNN4Ga8 1097792
useful_rdkit_utils-0.80.dist-info/METADATA sha256=SXcS5BY9cwGdIfNVP90NEfQX3Y3LC4sKMIuvDcO307Q 2201
useful_rdkit_utils-0.80.dist-info/WHEEL sha256=qtCwoSJWgHk21S1Kb4ihdzI2rlJ1ZKaIurTj_ngOhyQ 87
useful_rdkit_utils-0.80.dist-info/licenses/LICENSE sha256=hR4RATCmAh-QvaqEVEzbUKh21GU8Ssiynxu1Q9vHrBg 1068
useful_rdkit_utils-0.80.dist-info/RECORD