--- license: mit task_categories: - text-classification - translation - zero-shot-classification - text2text-generation - fill-mask tags: - chemistry - biology - synthetic - SMILES size_categories: - 10M - **Repository:** [https://huggingface.co/datasets/scbirlab/cyc-pep-6-12mer-70M-2024] ## Uses Developing chemistry models around cyclic peptides. ## Dataset Structure - **linear_id**: Identifier for linear peptide - **peptide_sequence**: Amino acid sequence of linear peptide - **SMILES**: SMILES string of linear peptide - **cyclic_id**: Identifier for cyclic peptide - **cysteine_to_N_cyclization**: SMILES string of cyclic peptide ## Dataset Creation ### Curation Rationale To develop a large dataset of SMILES strings for peptides. #### Data Collection and Processing Data were generated using [schemist](https://github.com/scbirlab/schemist), a tool for processing chemical datasets. #### Who are the source data producers? Eachan Johnson ([@eachanjohnson](https://huggingface.co/eachanjohnson)). #### Personal and Sensitive Information None ## Dataset Card Contact [@eachanjohnson](https://huggingface.co/eachanjohnson)