chainer / chainer-chemistry

Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry

MIT License

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Kekulize #393

Closed mist714 closed 4 years ago

mist714 commented 4 years ago

bug fix: add kekulize and addHs to preprocessor

codecov-io commented 4 years ago

Codecov Report

Merging #393 into master will decrease coverage by 4.69%. The diff coverage is 66.66%.

@@            Coverage Diff            @@
##           master     #393     +/-   ##
=========================================
- Coverage    91.3%   86.61%   -4.7%     
=========================================
  Files         227      227             
  Lines       10999    11007      +8     
=========================================
- Hits        10043     9534    -509     
- Misses        956     1473    +517

corochann commented 4 years ago

prepare_smiles_and_mol(mol) is called inside parser

corochann commented 4 years ago

Let me close this PR. Problem is not in preprocessor.