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Selfies v1.0.2 - 14.10.2020

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@MarioKrenn6240 MarioKrenn6240 released this 14 Oct 13:42
· 208 commits to master since this release
v1.0.2
cc2d53c
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Learn about vigilant mode.

Added:

  • Support for aromatic Te and triple bonds.
  • Inbuild SELFIES to 1hot encoding, and 1hot encoding to SELFIES

Changed:

  • Added default semantic constraints for charged atoms (single positive/negative charge of [C], [N], [O], [S], [P])
  • Raised the bond capacity of P to 7 bonds (from 5 bonds).

Bug Fixes:

  • Fixed bug: selfies.decoder did not terminate for malformed SELFIES that are missing the closed bracket ']'.
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