nonadditivity

View on PyPIReverse Dependencies (0)

2.0.0 nonadditivity-2.0.0-py3-none-any.whl

Wheel Details

Project: nonadditivity
Version: 2.0.0
Filename: nonadditivity-2.0.0-py3-none-any.whl
Download: [link]
Size: 66887
MD5: a2f12d44221ca7fcc9350a0a3e7f32c4
SHA256: 588362a6f06f9a640b81765fd2c93a2b46f8970658fd1ed653d1275bae3ddc03
Uploaded: 2024-07-14 22:27:35 +0000

dist-info

METADATA

Metadata-Version: 2.1
Name: nonadditivity
Version: 2.0.0
Summary: A program to find key complex patterns in SAR data
Author: Dr. Christian Kramer
Author-Email: christian.kramer[at]roche.com
Maintainer: Dr. Laura Guasch
Maintainer-Email: laura.guasch[at]roche.com
Home-Page: https://github.com/Roche/NonadditivityAnalysis
Project-Url: Bug Tracker, https://github.com/Roche/NonadditivityAnalysis/issues
Project-Url: Repository, https://github.com/Roche/NonadditivityAnalysis
Project-Url: Source Code, https://github.com/Roche/NonadditivityAnalysis/
License: LICENSE
Keywords: SAR,Cheminformatics,MMP,RDKit,Nonadditivity
Classifier: Development Status :: 5 - Production/Stable
Classifier: Environment :: Console
Classifier: Framework :: Pytest
Classifier: Intended Audience :: Developers
Classifier: License :: OSI Approved :: BSD License
Classifier: License :: Other/Proprietary License
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Topic :: Scientific/Engineering :: Artificial Intelligence
Classifier: Topic :: Scientific/Engineering :: Chemistry
Requires-Python: >3.9,<3.13
Requires-Dist: click (>=8.0.0)
Requires-Dist: mmpdb (==2.1)
Requires-Dist: numpy (>=1.26.0)
Requires-Dist: pandas (>=2.1.1)
Requires-Dist: rdkit (>=2023.9.1)
Requires-Dist: scipy (>=1.12.0)
Requires-Dist: tqdm (>=4.65.0)
Requires-Dist: ujson (>=5.8.0)
Description-Content-Type: text/markdown
[Description omitted; length: 6144 characters]

WHEEL

Wheel-Version: 1.0
Generator: poetry-core 1.9.0
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
nonadditivity/README.md sha256=fGZKhSCsURgT8b0zFENI2ARUfq3KnRkal4hs6llOT5A 733
nonadditivity/__init__.py sha256=cXgisIfzisJaLiPgts8Nm4TA0L0TFi-yeWblZ5NMyhg 2118
nonadditivity/classification/README.md sha256=q0pvRWOif6TuQP_u6x63K0NcKUs2SqrX-zuHGCd2kjA 1122
nonadditivity/classification/__init__.py sha256=n3-KxrA-RtOZ8JzaC25a9ggJka13Zx6WzwxNxeVjuuM 449
nonadditivity/classification/circle_classification.py sha256=tXFR3kmHaWOBGYxyE4pj3_dTRSsIj6ak5N7Amd73oTE 14667
nonadditivity/classification/classification_classes/README.md sha256=kVR5e_n0kU3HXLNwp3VS5G3s5qOC1ucfrWCEQIJG8PY 118
nonadditivity/classification/classification_classes/__init__.py sha256=Wi4oEpYFTuMfQJopCgp6rstKOwHgi_C5JMBncmAcHk4 34
nonadditivity/classification/classification_classes/circle.py sha256=KWvLlz_v1ERLXVpHC2yBFss9AN7Q8L__4LiH6palwHs 9114
nonadditivity/classification/classification_classes/compound.py sha256=sDx_fD-2k1BjAnEci_s--Pxpl7s2U1V2cFUk4zxS2MQ 6575
nonadditivity/classification/classification_classes/transfromation.py sha256=qe3XMcmFXYVxoSZqjeDbwH3FYBsw7TAEyBlT8XIDisY 8260
nonadditivity/classification/classify.py sha256=_CvLu-WQpStfzH9fsjZ4BWKuf2qm0HUsn_Pj1ULJAQY 13141
nonadditivity/classification/compound_classification.py sha256=YDA365kNCtxH28RdKHbMV0XHKepxu9Jmsw5CLwTDGZ0 7107
nonadditivity/classification/ortho_classification.py sha256=NvHcSzEzgT7zIiojwinPB5sn4Q5xjFHaNWsP6W71jno 13335
nonadditivity/classification/rgroup_distance.py sha256=cTWFwVJYxwgftAfIWOk64V7IZHf37yWW4Et11RWLrR4 21015
nonadditivity/classification/transformation_classification.py sha256=VBCpkqtz8tg6Iyo1kfJb6mqSRtXpY9k58vjvQDlT-vs 6894
nonadditivity/classification/utils.py sha256=Buqemu5tZh4S39jYeM0kIIsOcBSrnzlJAMz0FflGORQ 1921
nonadditivity/cli.py sha256=VXF4gUl_FEyZfBtmOU7YUCSV3U5v47UVAOHtrBA1hMs 932
nonadditivity/nonadditivity_workflow.py sha256=itrg1Y8te6zzD_K5ij3wgecfgMJQesoPUtB7Xa7g_X8 3189
nonadditivity/utils/README.md sha256=312sxQ9hAI6KWNXdzH2YYnj_v4e_uhS1SvbxzBCsW6w 445
nonadditivity/utils/__init__.py sha256=KFqaRc7GTs3YN5g5LmXs4Jk8N8hjJOxB6XgaxbG1l60 62
nonadditivity/utils/commandline.py sha256=h8z04fZaSqxwyp8qaI0iU5VjpR24tEYWv9nQOqgGPXA 13153
nonadditivity/utils/errors.py sha256=ZGdAoon1ujnb-hJVhgivSI0NQLGVvt25g91WiQisvkU 211
nonadditivity/utils/log.py sha256=VWWd6MEyhtXlwXQQmV-8FqIAPKthINgbRGghyaHRH1A 2643
nonadditivity/utils/math.py sha256=kC_TndFEF675K1NwZU6JgZDKx8cCJsoFGXNpyj4s_eY 7907
nonadditivity/utils/types.py sha256=mltcp--6WpDNonOPYzpqjLben3WgXWchE0ImuUO4z_w 223
nonadditivity/workflow/README.md sha256=uyN3_mn--KJjJBaDlTh84Ffdjl8W-OQh-1lRH3emJLw 661
nonadditivity/workflow/__init__.py sha256=kWbn7ym3kx7hLOmxhoVVNV3qNeqn9qkT1qK8G6RQBDM 344
nonadditivity/workflow/canonicalize_output.py sha256=Obdvhbs6UJFdQFALSO9iVJ4nlRQN6DXDCr-VeIAX2FM 8865
nonadditivity/workflow/input_parsing.py sha256=YDEDMma2BLjCm6hcvalGpJrl8fay0vo_r8WlJs3KVJo 17672
nonadditivity/workflow/mmpdb_helper.py sha256=nZ1pL8NTLpt3jrl837hlB73WF7Kb5tc1-KvGRSsjaG8 5254
nonadditivity/workflow/nonadditivity_core.py sha256=WvUQYPTWT34FwTS-UijD3XTpgi0xG08fGh7Mj8LzUGo 25406
nonadditivity/workflow/output.py sha256=HnFn1heYromslcTc45HDwUaxwgpz9HXImhp6CB_HJN0 10685
nonadditivity-2.0.0.dist-info/LICENSE sha256=xx0jnfkXJvxRnG63LTGOxlggYnIysveWIZ6H3PNdCrQ 11357
nonadditivity-2.0.0.dist-info/METADATA sha256=U_OAhMDMfGkRcmAiqlulukCnB84k6dJ_n8ljwepAoFU 7821
nonadditivity-2.0.0.dist-info/WHEEL sha256=sP946D7jFCHeNz5Iq4fL4Lu-PrWrFsgfLXbbkciIZwg 88
nonadditivity-2.0.0.dist-info/entry_points.txt sha256=cx-whz7gjQo-UA_slj6ADr3g9dfUV8kZwe_z2-_yDHw 56
nonadditivity-2.0.0.dist-info/RECORD

entry_points.txt

nonadditivity = nonadditivity.cli:main