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Selfies

Guides

  • Selfies Functions

Tech Notes

  • Generating Molecules With SELFIES

Symbols

  • EncodingToSelfies
  • FromSelfies
  • SelfiesAlphabet
  • SelfiesCounts
  • SelfiesEncoding
  • SplitSelfies
  • ToSelfies
WolframChemistry`Selfies`
SelfiesAlphabet
​
SelfiesAlphabet
[{
m
1
,
m
2
,…}]
returns a list of all unique tokens that appear in the SELFIES strings corresponding to the input.
​
Details and Options

Examples  
(1)
Basic Examples  
(1)
Convert a list of SELFIES strings to an alphabet of tokens:
In[1]:=
SelfiesAlphabet
[{"[C][O][C]","[C][=C][C][=C][C][=C][Ring1][=Branch1]","[O][=P][Branch1][C][O-1][Branch1][C][O-1][O]"}]
Out[1]=
{[O],[O-1],[=C],[=Branch1],[Branch1],[Ring1],[=P],[C]}
RelatedGuides
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Selfies Functions
""

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