This dataset is a collection of molecular structures represented as SELFIES (Self-Referencing Embedded Strings), created by combining and processing data from COCONUTDB and ChemBL34. It contains 2,700,462 unique molecules across 13 chunks.
The dataset is specifically designed for pre-training language models on molecular representations using the Masked Language Model (MLM) approach. It consists of a single column… See the full description on the dataset page:
https://huggingface.co/datasets/gbyuvd/coconut-chembl34-selfies-mlm.
