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Selfies v1.0.1 - 25.08.2020
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@FlorianHase FlorianHase released this 25 Aug 13:41
· 223 commits to master since this release
v1.0.1
e00f931
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Learn about vigilant mode.

Changed:

  • Code so that is compatible with python >= 3.5.
  • More descriptive error messages.

Bug Fixes:

  • Minor bug fixes in the encoder for SMILES ending in branches (e.g. C(Cl)(F)), and SMILES with ring numbers between branches (e.g. C(Cl)1(Br)CCCC1)
  • Minor bug fix with ring ordering in decoder (e.g. C1CC2CCC12 vs C1CC2CCC21).
Assets 2
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