Use SELFIES instead of SMILES as your input format

[UnixJunkie]

Self-referencing embedded strings (SELFIES): A 100% robust molecular string representation
https://iopscience.iop.org/article/10.1088/2632-2153/aba947

[isayev]

Feel free to implement and submit PR. When I check last time they had no support for hypervalent atoms like sulphur and phosphorus

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On Tue, Nov 24, 2020 at 01:00 Francois Berenger ***@***.***> wrote: Self-referencing embedded strings (SELFIES): A 100% robust molecular string representation https://iopscience.iop.org/article/10.1088/2632-2153/aba947 — You are receiving this because you are subscribed to this thread. Reply to this email directly, view it on GitHub <#19>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/AAYPGLMSEEZHV52NZPKG2NDSRNKIRANCNFSM4UAOSLRA> .

[UnixJunkie]

Feel free to submit an issue to them about missing features.