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gbyuvd/coconut-chembl34-selfies-mlm

Dataset Card for COCONUT+ChemBL34 SELFIES for MLM training (unmasked) 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… See the full description on the dataset page: https://huggingface.co/datasets/gbyuvd/coconut-chembl34-selfies-mlm.

Author / organizationgbyuvd
License (as declared)cc-by-sa-3.0
Downloads253 (as reported by Hugging Face)
Likes0
Created20 July 2024
Last updated at source6 September 2025
chemistryselfiesdrug-discovery
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  • 16 Oct 2026 Description: Dataset Card for COCONUT+ChemBL34 SELFIES for MLM training (unmasked) This dataset is a collection of molecular structures represented as SELFIES (Self-Referencing Embedded Strings), created by combining and processing data from COCONUTDB a → Dataset Card for COCONUT+ChemBL34 SELFIES for MLM training (unmasked) This dataset is a collection of molecular structures represented as SELFIES (Self-Referencing Embedded Strings), created by combining and processing data from COCONUTDB a

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