CGRtools

View on PyPIReverse Dependencies (6)

4.1.35 CGRtools-4.1.35-cp39-cp39-win_amd64.whl
CGRtools-4.1.35-cp39-cp39-macosx_10_9_x86_64.whl
CGRtools-4.1.35-cp38-cp38-win_amd64.whl
CGRtools-4.1.35-cp38-cp38-macosx_10_9_x86_64.whl
CGRtools-4.1.35-cp37-cp37m-win_amd64.whl
CGRtools-4.1.35-cp37-cp37m-macosx_10_9_x86_64.whl
CGRtools-4.1.35-cp310-cp310-win_amd64.whl
CGRtools-4.1.35-cp310-cp310-macosx_10_9_x86_64.whl

Wheel Details

Project: CGRtools
Version: 4.1.35
Filename: CGRtools-4.1.35-cp38-cp38-macosx_10_9_x86_64.whl
Download: [link]
Size: 281615
MD5: 3e2a96024019f1a7e31eb6c4998eebdd
SHA256: 3d198d1efd58fc183b28caa751c6bbae1ee98e1f27e28c328293a865a639dedd
Uploaded: 2022-10-03 09:52:01 +0000

dist-info

METADATA

Metadata-Version: 2.1
Name: CGRtools
Version: 4.1.35
Author: Dr. Ramil Nugmanov, Dr. Timur Madzhidov, Valentina Afonina
Author-Email: tmadzhidov[at]gmail.com
Home-Page: https://github.com/cimm-kzn/CGRtools
License: LGPLv3
Classifier: Environment :: Plugins
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: GNU Lesser General Public License v3 or later (LGPLv3+)
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Topic :: Scientific/Engineering
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Information Analysis
Classifier: Topic :: Software Development
Classifier: Topic :: Software Development :: Libraries
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Requires-Python: >=3.6.1
Requires-Dist: CachedMethods (<0.2,>=0.1.4)
Requires-Dist: py-mini-racer (>=0.4.0); extra == "clean2d"
Requires-Dist: numpy (>=1.18); extra == "jit"
Requires-Dist: numba (>=0.50); extra == "jit"
Requires-Dist: lxml (>=4.1); extra == "mrv"
Provides-Extra: clean2d
Provides-Extra: jit
Provides-Extra: mrv
License-File: LICENSE
[Description omitted; length: 3223 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.37.1)
Root-Is-Purelib: false
Tag: cp38-cp38-macosx_10_9_x86_64

RECORD

Path Digest Size
CGRtools/__init__.py sha256=XBN4X5JxxRvKHb-5W8KwEWFwIXZvWiA5z4vM5Gk5Ja8 1296
CGRtools/_functions.py sha256=7OWMOmbRtsgd21cJZ827QJrshTpSzAEVJqe-IfDmgvA 3310
CGRtools/exceptions.py sha256=MnSXhxlrvZxItnwoKBBqzqBJHPhF-_VgrmIbG_S0Ax4 1712
CGRtools/preparer.py sha256=inX5EJaMe1ZmWHidzGFtBRKtdH9B05GG5OyJFSqF6lM 7253
CGRtools/algorithms/__init__.py sha256=6PpCWhjF_wWCmvk-S-l6cw9IYWAeKK59iLCfeoZCx2A 790
CGRtools/algorithms/aromatics.py sha256=N80E_3v8UWsBz88YUVwWqjYCwJ9RgW-8mrn-nbEpgF8 28085
CGRtools/algorithms/depict.py sha256=palOn0NqJKNqM5S_4eWxe8Ejt_NfoZ5uGOFQDeIaOZY 82212
CGRtools/algorithms/huckel.py sha256=-fIP1Kze5QLl72VdBWcWyF9fxQ5vQLVJFthmi9j2W-g 3691
CGRtools/algorithms/isomorphism.py sha256=VuVRcCchODR7L_YrAiykOrDd5eL1OHlnBtrWjXNrZHQ 9844
CGRtools/algorithms/mcs.py sha256=XhlgDQTUu6DKKD1LvPThuTs_MJnshgxuYljgJH5rUPY 7120
CGRtools/algorithms/morgan.py sha256=zy23Zax78BM8H3LNVv6-mwVNUmNaNAyWwmjTYNzgBsQ 2763
CGRtools/algorithms/smiles.py sha256=WDEo7R4u4mRzwF2-81MYSjOu9RMWzXLW4hHwzWhSmKA 21838
CGRtools/algorithms/sssr.py sha256=jMF32usiJgilHl-jqL3Wn3WvxFLX9SoxlvLy1b7vJCQ 17606
CGRtools/algorithms/stereo.py sha256=3Fy1-bcXjJAxnKhrywIFuwpDRf9OSwZFrXLzlVdhUqI 39027
CGRtools/algorithms/tautomers.py sha256=th1-H_8fDOXIc3L9tebzOUL_5f1YSuxh4dAnERjDAMU 32702
CGRtools/algorithms/x3dom.py sha256=MLaoNzJXZLsQhtfzjBkPxaexLUJgrQ9x5FI_uk8Adf4 66067
CGRtools/algorithms/calculate2d/__init__.py sha256=1VvHRIHTiIdPBXSgPc7yFeYXj6zihBol6VpEACErcHs 5962
CGRtools/algorithms/calculate2d/clean2d.js sha256=9V7VBTuoTUFbmNws0e256GsCQcRLj-GYPq9pkrL2IoU 106510
CGRtools/algorithms/components/__init__.py sha256=L6fAS0FZ0R8FfyNc0sIcUpX8-SFS63zUEIc768rCfFE 974
CGRtools/algorithms/components/cgr.py sha256=6Cjv634juWV5HkfZBolvCZL7PJz3zv9u9NxOgzfqhhc 4653
CGRtools/algorithms/components/graph.py sha256=ndZfVWo0t3-QB5gzJapCVP5581FVrwJeMY-CUGWdFEQ 6883
CGRtools/algorithms/components/reaction.py sha256=aa4Q8ffPZTEdFyvnTkvw9imzQj9ABOVYVGswDanfGkI 14863
CGRtools/algorithms/components/structure.py sha256=qFGqxV3bwmFxY6TPUjkoO3_AI-_T9AjmWruV3-oXoB4 4479
CGRtools/algorithms/standardize/__init__.py sha256=4yKrbJ551FoZNK4caFabR-w2cMVzskgSExkB_pnF8YE 912
CGRtools/algorithms/standardize/molecule.py sha256=UAuk22QBeey-iyEEVAP_sw4tzshvgF75FuluHilsJ5o 55194
CGRtools/algorithms/standardize/reaction.py sha256=1ux5mYiO8mYp2Kgk_R7lgjnxNvKM7QoBVAgrPkacM1A 19966
CGRtools/attributes/__init__.py sha256=dFXL-ZHwDex7puGOsaw5H0lpXr0UkGTOtuk4KOI_0WQ 878
CGRtools/attributes/molecule.py sha256=OM0-Us9hWWDmyX_BPJquu9Gh_K9KvtM6CUxDB00y7Pg 1283
CGRtools/attributes/query.py sha256=tRdCE37XGVpated66Nf8cRdA313lbE-YnLckUGxIZ0M 1494
CGRtools/containers/__init__.py sha256=Hq0dxHRHSMrybHN3trFotyFROTpYdD84KiZrnGSooXE 964
CGRtools/containers/_unpack.cpython-38-darwin.so sha256=wfkQLpbJnciBtq45P2fRcr-e0-y2XnDmyf2_Y1P_EIs 68328
CGRtools/containers/_unpack.pyx sha256=TdejPUqW3pW5LveAi-NrN-utDUler5boiO5uEVpKy8Q 7327
CGRtools/containers/bonds.py sha256=WIhnCewbl_Z6hxpAmo9k6RG3rqNAc4W55GG3HUj9qEw 6017
CGRtools/containers/cgr.py sha256=S1pRnLpUYkSUHQBQO2GKcpq6ymKDbEUq9IR67oABO1I 18878
CGRtools/containers/cgr_query.py sha256=dphsUekwaHFwXqyIWBYT_rG52PgeGip0MHlMDNJOnec 11675
CGRtools/containers/common.py sha256=nIqESNHUzd3sQhEjjmXnWRoOnSlnQ6YiZKYEYjpLxoo 17397
CGRtools/containers/molecule.py sha256=TLffNso2BlCkZxHf20MWBR47u36xyaZa1iiHBhi__Ko 34607
CGRtools/containers/query.py sha256=qWVNqsvSXe9wVS56cMjuGoUz-0dc3w2_t6eE-SgOg6E 17115
CGRtools/containers/reaction.py sha256=OHzWCThbA58MbfasobCPq-5RP1tHdTpoPZEJOURhGu0 10182
CGRtools/files/INCHIrw.py sha256=IJDcU6Pdfeb0RrRD-TRVytyf3SsUGaZFD3B6C5I3wmw 13100
CGRtools/files/MRVrw.py sha256=pqbMyjJSwhauOsVW2WdbRhAkkqz2Vb3QkiVd6J8WakA 19988
CGRtools/files/PDBrw.py sha256=SqdtQ-hG3Ln3XLLRxO9gjVGIUZtH20MZpHeys5yKzJY 10067
CGRtools/files/RDFrw.py sha256=u6bqD96XyaoBUyeBiS0tHGxcBcArYeX1t03D1e55sN8 17070
CGRtools/files/SDFrw.py sha256=REe09qZegTQCyO8dzt2dE_m-LbiTk-AK93DtZ_0X86A 12648
CGRtools/files/SMILESrw.py sha256=-KLGoj5jZG8KCYRzRRFy0FJx9BFhvlimAXByjenfmkI 35949
CGRtools/files/XYZrw.py sha256=RR0-k1NUtcv99nGp-hrgXbUXl8GbLkU_j8HaCnbaFWI 20991
CGRtools/files/__init__.py sha256=0b68gTh1hkhk95Rg3wbHtbVD6rD3k1ciQ_qiZ_QdQJ8 1009
CGRtools/files/_mdl/__init__.py sha256=q7bzoikUxMvVattEmgv5lJindvmHD3MQdD1nfGrgGRI 1064
CGRtools/files/_mdl/emol.py sha256=pTANDUp_7uW2hkxfWO6r-c5Z1mpek0pOXsEwUz8LIAs 7203
CGRtools/files/_mdl/erxn.py sha256=OMkm_DwK5odleXxtz1XAkum4pVDlNdSiKkujBuxCCsM 3750
CGRtools/files/_mdl/ewrite.py sha256=ma0UL4xrLunJHGrdOWtyVf_6T1g-IWGQyLOhBD3DMSk 3645
CGRtools/files/_mdl/mol.py sha256=yryUEDBZOYHWhVb8Xl015-HszyEG-tJbI_rNN4ii6JE 9565
CGRtools/files/_mdl/parser.py sha256=aX08RzMtyCg2xIhD7gT6ws9wXOqnSVaqe5nX8tq4leQ 10844
CGRtools/files/_mdl/rw.py sha256=lZ1X9vHTmcBeQXfSYJDtWNvQV5LIYaKSgC4MtwXLMr8 8354
CGRtools/files/_mdl/rxn.py sha256=Ko27qnpi1TJ3fmRrr3eWk6_4G_-A6qHWCOqIBt2Iegk 3737
CGRtools/files/_mdl/stereo.py sha256=FDarqbebRuzbApEd5NxEiCv6qgnaCgsL6tzhaRugxdQ 3155
CGRtools/files/_mdl/write.py sha256=4dzM257lv07JztJPud5Gucp6pvJI8EMenNhP8uE3sqM 8761
CGRtools/periodictable/__init__.py sha256=XpRjG7JTBuJbmPjavVWomTMMnHZZ-nREhE3-zhvcYoM 2494
CGRtools/periodictable/groupI.py sha256=jxxDknJJ8Ou6Qxr4M1m4K-fdBeMIEIxUiGb7k7K1k3g 4811
CGRtools/periodictable/groupII.py sha256=9AzpS58wEzlCWTRdqx0gax0UXzj91a-934KeAwb17Ic 4993
CGRtools/periodictable/groupIII.py sha256=WjbNOfmY3pOmv3jXbdXKFYEYl9wXK_i8no0OBDWhf5U 26343
CGRtools/periodictable/groupIV.py sha256=Fy4z526jU86hb3lUSkTZwnYXwgCofAmj9I1dsAmYNyU 7003
CGRtools/periodictable/groupIX.py sha256=liV9cY-_FT2nuWhOqGpxhRJfWSMmKub_oSNaCiIqCNk 6672
CGRtools/periodictable/groupV.py sha256=qDMbCQ8NFj--p_uTDprdHXs4VHJMdBKnW8kxnM3ezDA 5700
CGRtools/periodictable/groupVI.py sha256=q49jTTOUnmv3mS1NBGfOeukvN9iB8aKHB3coZnheIJU 5494
CGRtools/periodictable/groupVII.py sha256=fjoXDGYBmn2gRzjI-0LRnESOsC9GlZUTHcfR-lK86iQ 3886
CGRtools/periodictable/groupVIII.py sha256=69lIi1P9z8nMC6GxJ1SbEURtnEdYW8kSsVxw2R1Pr0s 4124
CGRtools/periodictable/groupX.py sha256=7p7jK2p-Ck2wEg0782o2HiblHCRIej3CSGvkhorSDOM 4675
CGRtools/periodictable/groupXI.py sha256=rDWxZIgb6em4SCe9qZDH4Tmm61LhEkXOelY-jLPzTvE 4418
CGRtools/periodictable/groupXII.py sha256=mI0iNYBATBF-KNVBDDiZbFgK6xLMT4LlXMIravwWWt4 4874
CGRtools/periodictable/groupXIII.py sha256=Cy1sA2n0QR7tFvdbBcjSqvz7o5Dw9JFHHYD15Hc6sxw 5460
CGRtools/periodictable/groupXIV.py sha256=coD5VdxJibhQPwbD_FlMf4_VHkAX8t5CCd3DZza0wts 6067
CGRtools/periodictable/groupXV.py sha256=PhXkdoDZK3VVx7rHlnH6c4ivQDT_d1JZOEi9KyjUWRc 5434
CGRtools/periodictable/groupXVI.py sha256=pFRx-ecb3xxo9n-GwOebhXZj2B2bhy1dzu1ODEcymrQ 12322
CGRtools/periodictable/groupXVII.py sha256=OOIjEdBE4OnTlufufhe6yK1LOc9pSlxeJIjLH07LatA 8270
CGRtools/periodictable/groupXVIII.py sha256=w3ozdUkhZAY5PVaNFmROt3_knTqa4qv9w6-Jnncc9iA 5944
CGRtools/periodictable/groups.py sha256=uYEy7S2THaq8k7QXxMK_WbfXru6RvIS7L4530-BHxvI 1444
CGRtools/periodictable/periods.py sha256=Xi53DtyF40FnRSTID9bR5cEyuuK1Xd9IVZKMd2ouGJc 1044
CGRtools/periodictable/element/__init__.py sha256=yVuH4B8YbFWP8sBq_dBmbLhWOYzIMvGvU43e5xGiKAo 1349
CGRtools/periodictable/element/core.py sha256=yBPx6xYwCA4ePMQEpt9X9MAvOqVb3YTMiHUrirHSNbA 5899
CGRtools/periodictable/element/dynamic.py sha256=sctUGtIXd-S62HWKKquweJrtdX-QEiwdv6gYoxKwnRo 5168
CGRtools/periodictable/element/dynamic_query.py sha256=-8nh5XBIiTBwvHpp6ZZlav2qZug569LUvyEuFKUFUAg 9724
CGRtools/periodictable/element/element.py sha256=fmOLt2mZvQhYf-kJNvEjf53J024j3jOUUP4IwFHW7OQ 9829
CGRtools/periodictable/element/query.py sha256=587q0XSfATcfl-Qv8Tw4UCrwuK54JTsfm5pLoL4eyWk 14860
CGRtools/reactor/__init__.py sha256=dMnaqepj4D-uOzS1WuO_1MNBMmxx8lTtPlD4R0817i8 880
CGRtools/reactor/base.py sha256=hqi30KHMBQrKqIeoYT1vt_A10OVp3TtJC_rHCDzM2TI 10430
CGRtools/reactor/cgr.py sha256=xlQM3w5T1y4mjHjF0bYgBpHW_edhpNg79OIPga2hxto 3098
CGRtools/reactor/reactor.py sha256=Oq8UJpOGAJcVZQzaPL5oeBVdJFuiyps5hSPJPw1xpXk 8327
CGRtools/utils/__init__.py sha256=d0J_LEc4MUefU59-QLSFPhOopVSckNfzelJkOpr4dUs 1070
CGRtools/utils/functional_groups.py sha256=tJilpvMlTY978YCPJ85KCwz3WPCuYszfrdxpenIqK5I 1753
CGRtools/utils/grid.py sha256=cy72M1q6YQLad32ZoAAG3OSo9QfChpYzuyDHx0IBzzU 2779
CGRtools/utils/rdkit.py sha256=dFAO8BgQgXxNZvPPUxu2bi3kL43kA-WYP0q43WzyqpA 5877
CGRtools-4.1.35.dist-info/LICENSE sha256=46mU2C5kSwOnkqkw9XQAJlhBL2JAf1_uCD8lVcXyMRg 7652
CGRtools-4.1.35.dist-info/METADATA sha256=z3EjY42Zrqih14yzcvT8rCJZMIpKFMEmHYJiIwopIa4 4663
CGRtools-4.1.35.dist-info/WHEEL sha256=pXLpj1wTvqlD6RVUEKOuGQGeFX0NOPyDrsC-9xVDmYU 109
CGRtools-4.1.35.dist-info/top_level.txt sha256=vr-hZZH0ZX5v5iSUnr7A4KNEV1e3o4OFsLBczpEs08M 9
CGRtools-4.1.35.dist-info/RECORD

top_level.txt

CGRtools