Path |
Digest |
Size |
chython/__init__.py |
sha256=jZDQoqSSB1WWAeKQPaASvs8_jJ2oOwA0GirS2Xk3ieQ
|
1201 |
chython/_functions.py |
sha256=Eizts6FEsCV4FqRazX4IuONWPLd0iYchZ8dtkziDWuo
|
2276 |
chython/algorithms/__init__.py |
sha256=X-tUXstWShgpIOkN7AgGm4CUuROYNaAVTpZ08xc1xIE
|
788 |
chython/algorithms/_isomorphism.cpython-38-darwin.so |
sha256=1qEMYhO8N9RlyT-29aGWRP39Rgv12Bl3vco86uVd0K8
|
421528 |
chython/algorithms/_isomorphism.pyx |
sha256=xrVBllSLPaa46A6m6pc0F3dOVP7wTV3s4vTc_XUCgmo
|
7874 |
chython/algorithms/aromatics/__init__.py |
sha256=PEGREo5CUCzmmV_2FwGjL6Z1xOL6z3FepAB13j5BK-A
|
912 |
chython/algorithms/aromatics/_rules.py |
sha256=RSbI4OhlQW1OuZXCp_BeAZwdfcdWj0Wlm-IEAFuD8so
|
3282 |
chython/algorithms/aromatics/kekule.py |
sha256=w4-5KbHYo1Gd0oKL2--1s-flgEbNx8SOBKA59iqgnv8
|
24053 |
chython/algorithms/aromatics/test/__init__.py |
sha256=Kj11ErKjbjykTFpUXmxl99vK8E5gkrhtqlHSHMtHEKA
|
783 |
chython/algorithms/aromatics/test/test_kekule.py |
sha256=3a4t5hxbg2Kqrpk-vi68VhBCRYL7QCtUbRXY9uvkFbg
|
4944 |
chython/algorithms/aromatics/test/test_thiele.py |
sha256=-fGgEyuHS17HxMIYiYQflyS-IKCU9KIDLO5oba90h_4
|
8128 |
chython/algorithms/aromatics/thiele.py |
sha256=OPg2P0JL-zZxTwuLgLnWJlhn_QxGOAmGDWTD9PaNzVM
|
8583 |
chython/algorithms/calculate2d/__init__.py |
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|
895 |
chython/algorithms/calculate2d/clean2d.js |
sha256=CCpXfNK3L7f4AVTuKJ3jAGq2Zh3gZiVt7s1g5W0jwOc
|
92275 |
chython/algorithms/calculate2d/molecule.py |
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5114 |
chython/algorithms/calculate2d/reaction.py |
sha256=4oVN7c8BD6TT1p8dvxy0G9cllSvTzaYYSkMqoz56aRk
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2420 |
chython/algorithms/depict.py |
sha256=xiDRdnd9HQsInx4qiRvYFoVIhYZsvHbjw0CScbYSFMk
|
24559 |
chython/algorithms/fingerprints/__init__.py |
sha256=FbQMw8xqJtb_CBRyeUT8jn0w__mOXTgFtDfxWd2kW7o
|
1698 |
chython/algorithms/fingerprints/linear.py |
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9431 |
chython/algorithms/fingerprints/morgan.py |
sha256=xgN_0CSqcOvOI8Sbj29HHel3rQ4Gn-0luTenmLKE4i4
|
5740 |
chython/algorithms/fingerprints/test/__init__.py |
sha256=Kj11ErKjbjykTFpUXmxl99vK8E5gkrhtqlHSHMtHEKA
|
783 |
chython/algorithms/fingerprints/test/test_linear.py |
sha256=QAZ-GZw6WBfQj4CPqPtzRw3stME7mIGSduVIUOt7U7Q
|
4002 |
chython/algorithms/fingerprints/test/test_morgan.py |
sha256=ORH4d4oLijLqg_GA-6N_BW73Movg7CzT__oaXfZzQhs
|
2622 |
chython/algorithms/isomorphism.py |
sha256=RXHcqo2bR_hp-iUCJSmmkq2oJXrKwAbUTqLpSAvI1H4
|
26322 |
chython/algorithms/mapping/__init__.py |
sha256=WLnJAP4l1Rpv3FoosPeEBrO75GhtNnoV4fPhchf_z7k
|
972 |
chython/algorithms/mapping/_groups.py |
sha256=SGwYS6f13sdLv-rrmA3XHtCVoAvy24mSYVg7h_RA2xs
|
2657 |
chython/algorithms/mapping/_reactions.py |
sha256=B6TT0Rx2ZgIffa4f4kHMBZXJCH30bKyBc4XlnooKXok
|
2418 |
chython/algorithms/mapping/attention.py |
sha256=wym5Ef_7gR9v1Dl18JfG7hrSD8935d1qaNck-b_IKF4
|
7837 |
chython/algorithms/mapping/fixmapper.py |
sha256=w5dCGy_2astAlCnQzCJBOpeQ78fUe51jmd0MdZN1NKE
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3030 |
chython/algorithms/mapping/groups.py |
sha256=ny_EenFEZXZPeZf5r85wA_fesC3pYJAN_d5qY3K5718
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5186 |
chython/algorithms/mcs.py |
sha256=y3XFfrJm-E6gEd9XjMApTKgldAxRhW1ujqxGDf5wvo0
|
7128 |
chython/algorithms/morgan.py |
sha256=lStPn-TjgmFUxN17YfYkkY63kCLVsvOo7ZfDN1WyYPc
|
2878 |
chython/algorithms/rings.py |
sha256=IkRwOEmhn9z0UZJa38hLnJq5b12bwiehW9X0VJwnVAY
|
19822 |
chython/algorithms/smiles.py |
sha256=hAZ04gpFddoYdkuHYUQSzstnJbNHzJjFfuZPCRDvqAY
|
22571 |
chython/algorithms/standardize/__init__.py |
sha256=add8oZAIWvrvECBTuPq9MiqHnLXKLxiFEI23pkm1p9c
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1053 |
chython/algorithms/standardize/_charged.py |
sha256=tzNm_gL5Wg5Prb9sy2htYSoLXYl-1EIkZyIOxG8iVOg
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4019 |
chython/algorithms/standardize/_groups.py |
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|
26107 |
chython/algorithms/standardize/_metal_organics.py |
sha256=cBKyRIcrRZEyxVjZeXt66nkjskP5ejxo37jY6v2OUnI
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6202 |
chython/algorithms/standardize/_reagents.py |
sha256=F93At0BzeqbTowSDezHLsUgZk9AM1O-EurzKw9Gv_5U
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chython/algorithms/standardize/_salts.py |
sha256=RGeiHw3Fy-wy0KkkaVDdOjN-eO7K9HJuUaw8VmWE0oY
|
1949 |
chython/algorithms/standardize/molecule.py |
sha256=tTcWoZzCNPcZ--nAzyZGl81rrpIKqb_8tUnSDCQgza0
|
18563 |
chython/algorithms/standardize/reaction.py |
sha256=lRWuDB8S52eizw3MpjyaGdJW24LGGIzmZtqV4cDLhoo
|
15127 |
chython/algorithms/standardize/resonance.py |
sha256=0aXEQQHQNey4xquyuImzIFSKKBt8JzkbU7S09-P3sgM
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7482 |
chython/algorithms/standardize/salts.py |
sha256=mXDTH6n11AsZekQjCCy_B1Xxe2ond94L14WA5IUfqbU
|
4029 |
chython/algorithms/standardize/saturation.py |
sha256=_H7Q0v39WM-svcMLYYl9KSTZE9zU1uNdMTeDe-YewS0
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15960 |
chython/algorithms/standardize/test/__init__.py |
sha256=uw7mtv-7NSP4UrW3KmZ74O65iYCvcvgSQxNOK8TVmMs
|
783 |
chython/algorithms/standardize/test/test_groups.py |
sha256=GkKEUI4vtRS0PvIv6tsqSxlv5X8d1V4BB6Cg86ygAcc
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5543 |
chython/algorithms/stereo.py |
sha256=fBHdmTWT3epUIVezrjeSBVf9rknJ9lAvGyquz1ukl9I
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46762 |
chython/algorithms/tautomers/__init__.py |
sha256=86-55cCbq2frYS60-u6FGVqkcDvsnraXArwq7wsYX_E
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7245 |
chython/algorithms/tautomers/_acid.py |
sha256=yKhHU2fdzAhVNGaL1n3dbjsIKf9vh1d4RHt_lZC52-4
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1524 |
chython/algorithms/tautomers/_base.py |
sha256=pnljf8tFcpFygq2c7k8OfV35iTD8fIYBR2BJAm8HqR8
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2920 |
chython/algorithms/tautomers/_keto_enol.py |
sha256=uGyOdzxnjSu2hrJSDTJB6UYh2xFLj_x4UTv6LsQ8Mv4
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2538 |
chython/algorithms/tautomers/acid_base.py |
sha256=uLDluvew934ljWvRoxZI8gGQmQ947D3q94y6jMoaRHc
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8520 |
chython/algorithms/tautomers/heteroarenes.py |
sha256=G-r2jTCzhjPLCQ-E_gW3nBmiMRLzNOHM0ZijNichsvE
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3685 |
chython/algorithms/tautomers/keto_enol.py |
sha256=YOQXoNj8q_Vn8BZDRf0mo_kU2xqMsRpUjbEHB3Eay7Y
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6023 |
chython/algorithms/tautomers/test/__init__.py |
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chython/algorithms/tautomers/test/test_tautomers.py |
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3611 |
chython/algorithms/test/__init__.py |
sha256=Kj11ErKjbjykTFpUXmxl99vK8E5gkrhtqlHSHMtHEKA
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783 |
chython/algorithms/test/test_isomorphism.py |
sha256=ClBAJOybdnjhvH2PeAbQcS3pet-WffaGywRk3BSWY-8
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2012 |
chython/algorithms/test/test_smiles.py |
sha256=Eqvysm2ZVXGXvxKex5Mq4leBuwAKgwAJWwBd5xHeGhQ
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2441 |
chython/algorithms/x3dom.py |
sha256=NKvO6zZ0rmuaPvAfD5gbuTmnMQQa87qeYV7sP9Unk9U
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16723 |
chython/containers/__init__.py |
sha256=bsnvF93jPI9Z31b_H8L0DcbkZuo80ZdtKqo8I--F2fM
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1421 |
chython/containers/_pack_v2.cpython-38-darwin.so |
sha256=3mCgdzRShBTpOhw2fg0VyMWb487eJA1KmRDolGajrao
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181248 |
chython/containers/_pack_v2.pyx |
sha256=GIojnmQ_IN55jQU6btlcpTeo9LerCAs41caoBe0SUD8
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9622 |
chython/containers/_unpack_v0v2.cpython-38-darwin.so |
sha256=2OEKmFv-7QuG9lsg_uhGD9Z0M5SzFrCck-kNMnTeh-E
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950056 |
chython/containers/_unpack_v0v2.pyx |
sha256=Bp9t8mxCbDjYFEs13VMrr3QY-o2XTKKFZ03qoR9arxk
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11345 |
chython/containers/bonds.py |
sha256=urjU7H81amR9LlRppaHvJrAhHpS1bLVdE3yOGGZrJNQ
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7765 |
chython/containers/cgr.py |
sha256=MAdVmU8BX_Ocbm8KK4f39yYG83OkeWSrWsKrb0GkPDI
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4038 |
chython/containers/graph.py |
sha256=SH5P8_B7okYyWED5GjHBWwCXV_X9V8rDLLwXIhaSZ_k
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6096 |
chython/containers/molecule.py |
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26198 |
chython/containers/query.py |
sha256=t4bgkEivcYXGNGmfnGLmhdsCkGQTI0tfMOI1T42kxiI
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chython/containers/reaction.py |
sha256=hHv2hV8Vv7j9dZ0WMc4TfX9oE2TdWEMfGie-7p61GaY
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11287 |
chython/exceptions.py |
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2096 |
chython/files/MRVrw.py |
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20424 |
chython/files/PDBrw.py |
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chython/files/RDFrw.py |
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chython/files/SDFrw.py |
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chython/files/__init__.py |
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chython/files/_convert.py |
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chython/files/_mapping.py |
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chython/files/_xyz.cpython-38-darwin.so |
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400576 |
chython/files/_xyz.pyx |
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chython/files/daylight/__init__.py |
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chython/files/daylight/parser.py |
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chython/files/daylight/smarts.py |
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chython/files/daylight/smiles.py |
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chython/files/daylight/test/__init__.py |
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chython/files/daylight/test/test_daylight_smarts.py |
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chython/files/daylight/test/test_daylight_smiles.py |
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chython/files/daylight/test/test_parser.py |
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chython/files/daylight/test/test_tokenize.py |
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chython/files/daylight/tokenize.py |
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chython/files/libinchi/__init__.py |
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chython/files/libinchi/wrapper.py |
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chython/files/mdl/__init__.py |
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chython/files/mdl/emol.py |
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chython/files/mdl/erxn.py |
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chython/files/mdl/mol.py |
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chython/files/mdl/read.py |
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chython/files/mdl/rxn.py |
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chython/files/mdl/stereo.py |
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chython/files/mdl/write.py |
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chython/files/xyz.py |
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chython/periodictable/__init__.py |
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chython/periodictable/base/__init__.py |
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chython/periodictable/base/dynamic.py |
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chython/periodictable/base/element.py |
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chython/periodictable/base/groups.py |
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chython/periodictable/base/periods.py |
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chython/periodictable/base/query.py |
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chython/periodictable/base/vector.py |
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chython/periodictable/groupI.py |
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chython/periodictable/groupII.py |
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chython/periodictable/groupIV.py |
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chython/periodictable/groupV.py |
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chython/periodictable/groupVIII.py |
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chython/periodictable/groupX.py |
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chython/periodictable/groupXI.py |
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chython/periodictable/groupXII.py |
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chython/periodictable/groupXIII.py |
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chython/periodictable/groupXIV.py |
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chython/periodictable/groupXV.py |
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chython/periodictable/groupXVI.py |
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chython/periodictable/groupXVII.py |
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chython/periodictable/groupXVIII.py |
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chython/reactor/__init__.py |
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chython/reactor/base.py |
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chython/reactor/deprotection.py |
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chython/reactor/groups.py |
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chython/reactor/reactions/__init__.py |
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