ChemicalTaggerPy
这是一个调用中科大校内网ChemicalTagger REST-API的包
from ctpy import ChemicalTagger
sent = 'To a stirred solution of 4-hydroxypiperidine (0.97 g, 9.60 mmol) in anhydrous dimethylformamide (20 mL) at 0°C was added 1-(bromomethyl)-4-methoxybenzene (1.93 g, 9.60 mmol) and triethylamine (2.16 g, 21.4 mmol).'
mols = ChemicalTagger.sentence_to_mols(sent)
# mols: [{'name': '4-hydroxypiperidine', 'smiles': 'OC1CCNCC1'},
# {'name': 'dimethylformamide', 'smiles': 'CN(C=O)C'},
# ...]
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Metadata
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Release files for ctpy 0.0.1
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Release files / ctpy-0.0.1.tar.gz
| Download URL | ctpy-0.0.1.tar.gz |
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twine/3.8.0 pkginfo/1.8.3 readme-renderer/34.0 requests/2.27.1 requests-toolbelt/0.9.1 urllib3/1.26.9 tqdm/4.64.0 importlib-metadata/4.8.3 keyring/23.4.1 rfc3986/1.5.0 colorama/0.4.5 CPython/3.6.13
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Security for ctpy 0.0.1
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