Recent Advances in the SELFIES Library (2023)
An overview of the major updates to the SELFIES Python library, including improved performance, expanded chemical …...
Selfies
SELFIES: The Original Paper (Krenn et al. 2020)
A summary of the foundational 2020 paper that introduced SELFIES - the 100% robust molecular string representation …
Converting SELFIES Strings to 2D Molecular Images
Learn how to visualize SELFIES molecular representations and explore their unique advantages through random sampling, …
SELFIES (Self-Referencing Embedded Strings)
SELFIES is a 100% robust string-based representation for chemical molecules, designed for machine learning applications …...
Invalid SMILES are Beneficial Rather than Detrimental to Chemical Language Models
Skinnider's 2024 Nature Machine Intelligence paper demonstrates that the ability to generate invalid SMILES is actually …...
SELFIES and the Future of Molecular String Representations
A comprehensive perspective on molecular string representations, focusing on SELFIES as a 100% robust alternative to …...
IMG2SMI: Translating Molecular Structure Images to SMILES
Campos & Ji's method for converting 2D molecular images to SMILES strings using Transformers and SELFIES representation....