---
license: mit
task_categories:
- fill-mask
- text-classification
- text2text-generation
- translation
- zero-shot-classification
tags:
- chemistry
- biology
- synthetic
- SMILES
size_categories:
- 10M<n<100M
pretty_name: 'Cyclic peptides (70 million)'
configs:
- config_name: full
  data_files: "*/*.csv.gz"
  default: true
- config_name: split
  data_files:
  - split: train
    path: "train/*.csv.gz"
  - split: test
    path: "test/*.csv.gz"
  - split: validation
    path: "validation/*.csv.gz"
---
# cyc-pep-6-12mer-70M-2024

Set of 70 million (almost) unique cyclic and linear peptides comprising 6-12 amino acids, each with some calculated molecular properties.

## Dataset Details

### Dataset Description

- **Curated by:** [@eachanjohnson](https://huggingface.co/eachanjohnson)
- **Funded by:** The Francis Crick Institute
- **License:** MIT

### Dataset Sources

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- **Repository:** https://huggingface.co/datasets/scbirlab/cyc-pep-6-12mer-70M-2024
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## Uses

Developing chemistry models around cyclic peptides.

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### Out-of-Scope Use

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## 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
- **cyclic_inchikey**: Unique identifier for cyclic peptide
- **cysteine_to_N_cyclization**: SMILES string of cyclic peptide
- **cyclic_scaffold**: Murcko scaffold of cyclic peptide
- **cyclic_mwt**: Molecular weight of cyclic peptide
- **cyclic_clogp**: Crippen LogP of cyclic peptide
- **cyclic_tpsa**: Topological polar surface area 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

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<!-- ## Citation [optional]

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## Dataset Card Contact

[@eachanjohnson](https://huggingface.co/eachanjohnson)