standardizer
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0.1.7 | standardizer-0.1.7-py3-none-any.whl |
Wheel Details
Project: | standardizer |
Version: | 0.1.7 |
Filename: | standardizer-0.1.7-py3-none-any.whl |
Download: | [link] |
Size: | 2547502 |
MD5: | b5c9e3e4acc7e77793c1cc985e6fd445 |
SHA256: | 6fad27831fcba307c2d2e761bc4f4de1dd4c1b75bca111741f66d962b9ddb750 |
Uploaded: | 2019-05-29 02:54:35 +0000 |
dist-info
METADATA · WHEEL · RECORD · top_level.txt · entry_points.txt
METADATA
WHEEL
Wheel-Version: | 1.0 |
Generator: | bdist_wheel (0.33.4) |
Root-Is-Purelib: | true |
Tag: | py3-none-any |
RECORD
Path | Digest | Size |
---|---|---|
standardiser/SDF.py | sha256=xspw7iBTRZeFWCyVL-w0NtY8YNPy8q25xbvWEuuVllc | 2559 |
standardiser/__init__.py | sha256=b6CoZjPMppaCs5rS2z_YIJOPDwa_6tj6vI5L13sF5Uw | 120 |
standardiser/break_bonds.py | sha256=AL3j3BQac4jPKpPxac4eyX7T2pZc1TWZ6MJygNgL9G4 | 2865 |
standardiser/make_logger.py | sha256=z0O259zp2dNOk1Ym9fw197vrDhDOep0VJUwVca7EDwQ | 846 |
standardiser/neutralise.py | sha256=IFtXU6CzMpddnxcSVd72-Jc_O6pJZuD-06N9G1GpAXY | 5315 |
standardiser/rules.py | sha256=M5JKFG-lkrquRFejJhK8q-5jVrkefelpDc6TjSbJufE | 7426 |
standardiser/rules_demo.py | sha256=G2BhunqezhBL2l60KHpBxezIcM17jISh6wUdrrjzbkw | 1718 |
standardiser/standardise.py | sha256=SsSmhPKoA45G4Rs-tvQzvLj_gCw92RNnowXjGIlw-Dc | 5117 |
standardiser/unsalt.py | sha256=Zt6bdkdVWS7mpcoJU4Qil5XXwSNL4Bhvvp_JlxM1ZKI | 3023 |
standardiser/utils.py | sha256=HRoyvxea-vga5cIyr6HDacyWja9uPvqL-NjhP3DZ9so | 3048 |
standardiser/bin/__init__.py | sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU | 0 |
standardiser/bin/ipynb_to_html.sh | sha256=vZe9QAdjUJUGPGDDs7eKl-TqzvWGMej0HCCv-qNkIDs | 266 |
standardiser/bin/rules_applied.py | sha256=9Y6o09UYghmNCOKH7nZ8uixaaknsFq6E4bym2WEjnkM | 422 |
standardiser/bin/standardise_mols.py | sha256=CMraJ2ie2j0Qms9zlaqE-XTYYvdDiprqv9STmbyv5VI | 6706 |
standardiser/data/really_salts.tsv | sha256=jqGYtpvLWFkGtSqCqJgkn4Jze-XhDVbe7Vgadc_NJng | 4176 |
standardiser/data/rules_base.dat | sha256=EHv8cFSKeJ5Jb0SYMLwnJVkgJu9tBlCkZ9wTxcsUp7c | 4435 |
standardiser/data/rules_specific.dat | sha256=ft53Qt9PtdxOEVTrWRQQ9j00mZia_nz-03cUKxJ9K7I | 136 |
standardiser/data/rules_tautomerism_and_aromaticity.dat | sha256=RGkRqzI_Iv2O2y8UBaYXaJyhJX1F5tF-Xb-9KWSW1f4 | 1393 |
standardiser/data/rules_to_be_used_with_caution.dat | sha256=f6ZOMnwWUtnfvYCUkeJdbnFVLuMgpfxop3hu65pp4eA | 468 |
standardiser/data/salts.tsv | sha256=U4du0EVNgF2sf8h8WAF0CtEIR2v6aWQPFAGrHFVYHJM | 4318 |
standardiser/docs/00_Introduction.ipynb | sha256=-HY9ilWC9cpKShfJbQQhJlnYWCtAA8qsUYNtR-znMUE | 5873 |
standardiser/docs/01_break_bonds.ipynb | sha256=HWHAZMkEQZfV7HUvonRcDDd3kNdeXI4I7slW_LsY2h8 | 13561 |
standardiser/docs/02_neutralise.ipynb | sha256=XCsUwUPhLa0tsE3aIM6HVhhT6snFwhE3-t4PnWp5BJ8 | 32937 |
standardiser/docs/03_rules.ipynb | sha256=qNLkRLv4PTcNNM4ZpNWl8yax7HB-z94Bm-dMmr6J_Hc | 67756 |
standardiser/docs/04_unsalt.ipynb | sha256=VzQzSfxqgPGITUVKbhmZw3m3ZPEvQ7PyOZSzy4tFsfc | 574727 |
standardiser/docs/05_standardise.ipynb | sha256=djGy4opXXnFmcz7fAiiY8Ef5AAsHYuMVx_ghAyeh8cI | 18922 |
standardiser/docs/06_alternative.ipynb | sha256=DjW8XOKOju9QBIj4SnUZIInBAYGTYrEP0q3sA22HZtk | 16390 |
standardiser/docs/99_issue_01.ipynb | sha256=U04Votzk4u_OIcIGNA4ma3iJp3Ccf26mUhNy_pYoB0M | 51943 |
standardiser/docs/Charge-separated_systems.ipynb | sha256=LU6cXqW_we_7bUAKDgBaO7Pw1qtvqgP8YvcRmzKSRY4 | 21271 |
standardiser/docs/Conjugated_cations_and_charge_neutralisation.ipynb | sha256=vOkko6HUZCkYEdSwXTC0EiGnFYXCYK4L-3O9JRHY7Ek | 35380 |
standardiser/docs/Hydroxy_pyridine_within_ring.ipynb | sha256=dPNKTCTP_cPv_7D-8HG_GpoWUhh2FufLQ2iCpAlGrm0 | 11845 |
standardiser/docs/Keto-enol_tautomerism.ipynb | sha256=UprrWKncqLlpMJVCtiUEsrl4zOEEt4KmY1KPzeY4ii0 | 896624 |
standardiser/docs/Miscellaeny.ipynb | sha256=TaB7xpALDLqqI5AzYgwKgXmQLY1DgWbAy7Qbet5RBN4 | 9216 |
standardiser/docs/Multiple_possible_tautomers.ipynb | sha256=5pfhf_QF0ugnuFGz5cDZpN5EU5gIk23ul6tqchsSdRc | 8328 |
standardiser/docs/Neutralisation_strategy.ipynb | sha256=cU1nEUa0vgTLBXNVYo2mTZuZ7XyzHctqM2CEGqeyQ-E | 15609 |
standardiser/docs/Rule_application_strategy.ipynb | sha256=560w0I6KflEShIXgz8KAxTiNlqNQ7WgX9lq_1CVkL6I | 28741 |
standardiser/docs/Tautomerism_and_aromaticity.ipynb | sha256=YePcXUWOkbKixdaibEZ5g7aEys47w16A_PbSAr93jtc | 5160 |
standardiser/docs/notebook_setup.py | sha256=M8s2EWz9wDDMTkkb58C3Wcwn2cpQ_-N98PWEen_Jdlg | 491 |
standardiser/docs/standardiser.pdf | sha256=a-37W8nFfKeCQzEnihxp78nqVQPKl72tZsXExPNsTOw | 1118846 |
standardiser/docs/standardiser.pptx | sha256=mmGufZWyUjPBDVsVPC_3y8zGjNCKBPOTgO_2siBtinA | 1131526 |
standardizer-0.1.7.dist-info/LICENSE | sha256=z8d0m5b2O9McPEK1xHG_dWgUBT6EfBDz6wA0F7xSPTA | 11358 |
standardizer-0.1.7.dist-info/METADATA | sha256=eo6rWTtN8YGXRJ0O9c45Fnt1E__Vm2-mNo8PYGdb57o | 1379 |
standardizer-0.1.7.dist-info/WHEEL | sha256=S8S5VL-stOTSZDYxHyf0KP7eds0J72qrK0Evu3TfyAY | 92 |
standardizer-0.1.7.dist-info/entry_points.txt | sha256=VxPXwcoC6Cn9Gtv0qpCpB1C56SsYDTUSgpCs2QtBOmw | 73 |
standardizer-0.1.7.dist-info/top_level.txt | sha256=lU_yp5cGXV39itanbXhmYkBxoMEDVz04w8DnCCvjbHc | 13 |
standardizer-0.1.7.dist-info/RECORD | — | — |
top_level.txt
standardiser
entry_points.txt
standardiser = standardiser.bin.standardise_mols:main