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Strings

  • Group-SELFIES:
    Code Last Commit

    Publication JIF

  • SELFIES: Recent advances in the self-referencing embedded strings (SELFIES) library
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    Publication JIF

  • SMARTS: SMARTS is like a regular expression for chemical compounds
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  • SMIRKS:

Visualisation

  • SMARTS-plus: easy to comprehend visualization for your SMARTS expression.

    Webserver

  • ClearSMILES: stochastic data augmentation procedure called ClearSMILES, which reduces the vocabulary size needed
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    Publication

  • CurlySMILES:

    Publication JIF

  • DeepSMILES:
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    Publication

  • OpenSMILES:

  • SMILESAugmentation: A tool for augmenting SMILES strings to enhance the performance of machine learning models in cheminformatics.
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  • fragSMILES: chemical string notation for advanced fragment and chirality representation
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    Publication

  • maxsmi: Maxsmi: Maximizing molecular property prediction performance with confidence estimation using SMILES augmentation and deep learning
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    Publication

  • t-SMILES: Transforms SMILES strings for improved molecular representation and machine learning model performance.
    Code Last Commit

    Publication JIF

Macromolecules

  • BigSMILES: Structurally-Based Line Notation for Describing Macromolecules
    Code Last Commit

    Publication JIF

Macromolecules

  • CHORTLES:

    Publication

Macromolecules

  • CHUCKLES:

    Publication