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posecheck

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1.3.1 posecheck-1.3.1-py3-none-any.whl

Wheel Details

Project: posecheck
Version: 1.3.1
Filename: posecheck-1.3.1-py3-none-any.whl
Download: [link]
Size: 25890
MD5: 1e973a9c72a44faea75518697b884523
SHA256: 9ef177204fee1f2f4189d3686f59d8f6a28f711d2b0c8156e9e351efcfc58622
Uploaded: 2024-08-21 12:24:39 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: posecheck
Version: 1.3.1
Summary: A library for benchmarking poses of 3D SBDD models
Author: Charles Harris
Author-Email: cch57[at]cam.ac.uk
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Requires-Dist: rdkit
Requires-Dist: prolif
Requires-Dist: datamol
Requires-Dist: hydride
Requires-Dist: biopython
Requires-Dist: pandas (==2.0.0)
Requires-Dist: seaborn
Requires-Dist: matplotlib
Requires-Dist: numpy
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 65 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (73.0.1)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
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posecheck/docking_eval.py sha256=ZlqYp8GQk_6jeugVV0MeDa833n--DcKk9QbUJb4-9Fw 3342
posecheck/eval.py sha256=MR2A0VamCKkQVnyf0wMG1MGDJ35mEv6ZQAcdNH7SCf0 884
posecheck/posecheck.py sha256=2FPJdH6m3zE0kKX_EQimvsSvEv1A_UoDQvCEV_S0Uyc 6758
posecheck/data/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
posecheck/data/datasets.py sha256=Aez9z3dc81Gyu1H6L4T09ijspRLw2k2pLHPF74_zEZY 24747
posecheck/utils/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
posecheck/utils/biopython.py sha256=CTk_VfV0vHDJ_eT9eiiDX4m47PCgPcAcmiKAocgaJ4g 3417
posecheck/utils/chem.py sha256=aTbqasz7ktjA10Ue3jfflE3s0uxXi5Iu1lLz9OnPzhU 1638
posecheck/utils/clashes.py sha256=49e3YQIKlZZgIiBjTO7aVTPsPrjM0NZvtxQ7etl8xe4 4176
posecheck/utils/constants.py sha256=qxqXupBeZchmrT5RX9Hh2bsCapQzYhLaCrg-BXGVnGI 1057
posecheck/utils/docking.py sha256=3RCJr0yEfKXX4H5gbzegV2bCuB51gEe4zclx9j4ZqCo 6023
posecheck/utils/docking_utils.py sha256=Zu8D0wdw9_x16xhDFzstt7Qo_LNEslaNtRu0r2HOx_M 6937
posecheck/utils/interactions.py sha256=akUV7JsDEEVE4P3yo5FYq70yl_BDpF_5wD5N6Knvffw 2981
posecheck/utils/loading.py sha256=9IDoVFW00lKXtMmM03vh92OxXdf6gkjFykOfsMosiL4 6756
posecheck/utils/strain.py sha256=wuy1LIsAZrCtpAPfW8--bIzLOxc9hunmq8c6-TIj1CM 5929
posecheck/utils/validators.py sha256=RUfG6GS-0n00YJGoCAED3kmoP-yuj8W5zoCtwWys5Qw 1052
posecheck-1.3.1.dist-info/LICENSE sha256=TqGh7Z5i9o-jktk2RzTLxPdvVM9l0dPBdnw4NNL1K8c 1071
posecheck-1.3.1.dist-info/METADATA sha256=w8cUgi0wNTBjs1ZDD_Mlgv1zCx0QdvvqtKJB0citJgY 867
posecheck-1.3.1.dist-info/WHEEL sha256=Mdi9PDNwEZptOjTlUcAth7XJDFtKrHYaQMPulZeBCiQ 91
posecheck-1.3.1.dist-info/top_level.txt sha256=W8Q661XIzD1V7yTxH3SKagXiSdHYaZrpMAvAXfZr-NM 10
posecheck-1.3.1.dist-info/RECORD — —

top_level.txt

posecheck