Performance of chemical structure string representations for chemical image recognition using transformers dataset

The datasets contain string representations used for DECIMER short communication paper. <strong>ChEMBL dataset:</strong> Train and test datasets downloaded from ChEMBL and curated. Contains data with and without stereochemistry. Separated as Canonical and Isomeric. String representations contain SMILES, DeepSMILES, SELFIES and InChIs. Train dataset: 1.5 Mio molecules Test dataset: ~100K molecules <strong>Pubchem dataset:</strong> Train and test datasets downloaded from PubChem and curated. Contains data with and without stereochemistry. Separated as Canonical and Isomeric. String representations contain SMILES, DeepSMILES and SELFIES. Train dataset: 3 Mio molecules Test dataset: 250K molecules