Strings
Other Representations
- selfies: Recent advances in the self-referencing embedded strings (SELFIES) library
SMARTS-related
- SMARTS: SMARTS is like a regular expression for chemical compounds
- SMARTS-plus: easy to comprehend visualization for your SMARTS expression.
SMILES-related
- ClearSMILES: stochastic data augmentation procedure called ClearSMILES, which reduces the vocabulary size needed
- maxsmi: Maxsmi: Maximizing molecular property prediction performance with confidence estimation using SMILES augmentation and deep learning
- SMILESAugmentation: A tool for augmenting SMILES strings to enhance the performance of machine learning models in cheminformatics.
- t-SMILES: Transforms SMILES strings for improved molecular representation and machine learning model performance.
