chainer / chainer-chemistry

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

MIT License

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Use non-isometric smiles #237

Closed delta2323 closed 6 years ago

delta2323 commented 6 years ago

RDKit changes the default value of isometricSmiles of MolToSmiles() from version 2018.03.1 (See its release note). This PR sets the option explicitly to keep compatibility.

codecov-io commented 6 years ago

Codecov Report

Merging #237 into master will not change coverage. The diff coverage is 50%.

@@          Coverage Diff           @@
##           master    #237   +/-   ##
======================================
  Coverage    81.9%   81.9%           
======================================
  Files         108     108           
  Lines        5249    5249           
======================================
  Hits         4299    4299           
  Misses        950     950