Supplementary information for the paper: Struct2IUPAC -- Transformer-based artificial neural network for the conversion between chemical notations

Supplementary information for the preprint (Struct2IUPAC: A transformer-based model for chemical names generation) version 2.0. 

opsin_mistakes.csv  -- Structures that have been processed by OPSIN incorrectly.

IUPAC2Struct_mistakes.csv -- Structures that have been processed by our IUPAC2Smiles model incorrectly.

test_100000_uniform.csv  -- 100 000 structures from the test set. 

smiles_lens_1000.zip  -- Sets of SMILES of different lengths 

IUPAC2Struct-main.zip  -- the code from github (model is at the separate file iupac2smiles_model.pt, put it to "models" folder!)

iupac2smiles_model.pt -- binary dump of pytorch IUPAC2Struct model