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---
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
<!-- Provide the basic links for the dataset. -->
- **Repository:** https://huggingface.co/datasets/scbirlab/cyc-pep-6-12mer-70M-2024
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- **Demo [optional]:** [More Information Needed] -->
## Uses
Developing chemistry models around cyclic peptides.
<!-- ### Direct Use -->
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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
<!-- ## Bias, Risks, and Limitations -->
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<!-- ### Recommendations -->
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<!-- Users should be made aware of the risks, biases and limitations of the dataset. More information needed for further recommendations. -->
<!-- ## Citation [optional]
<!-- If there is a paper or blog post introducing the dataset, the APA and Bibtex information for that should go in this section. -->
<!-- **BibTeX:**
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**APA:**
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<!-- ## Glossary [optional] -->
<!-- If relevant, include terms and calculations in this section that can help readers understand the dataset or dataset card. -->
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<!-- ## Dataset Card Authors [optional]
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## Dataset Card Contact
[@eachanjohnson](https://huggingface.co/eachanjohnson) |