Eachan Johnson
commited on
Commit
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Parent(s):
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Update documentation and configs
Browse files
README.md
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---
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license: mit
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task_categories:
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- text-classification
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- translation
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- zero-shot-classification
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- text2text-generation
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- fill-mask
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tags:
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- chemistry
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- biology
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- SMILES
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size_categories:
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- 10M<n<100M
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---
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# cyc-pep-6-12mer-70M-2024
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-
Set of 70 million (almost) unique cyclic and linear peptides comprising 6-12 amino acids.
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## Dataset Details
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- **Funded by:** The Francis Crick Institute
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- **License:** MIT
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### Dataset Sources
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<!-- Provide the basic links for the dataset. -->
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- **Repository:**
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<!-- - **Paper [optional]:** [More Information Needed]
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- **Demo [optional]:** [More Information Needed] -->
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- **peptide_sequence**: Amino acid sequence of linear peptide
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- **SMILES**: SMILES string of linear peptide
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- **cyclic_id**: Identifier for cyclic peptide
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- **cysteine_to_N_cyclization**: SMILES string of cyclic peptide
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## Dataset Creation
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---
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license: mit
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task_categories:
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- fill-mask
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- text-classification
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- text2text-generation
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- translation
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- zero-shot-classification
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tags:
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- chemistry
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- biology
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- SMILES
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size_categories:
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- 10M<n<100M
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pretty_name: 'Cyclic peptides (70 million)'
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configs:
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- config_name: full
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data_files: "*/*.csv.gz"
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default: true
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- config_name: split
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data_files:
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- split: train
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path: "train/*.csv.gz"
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- split: test
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path: "test/*.csv.gz"
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- split: validation
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path: "validation/*.csv.gz"
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---
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# cyc-pep-6-12mer-70M-2024
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Set of 70 million (almost) unique cyclic and linear peptides comprising 6-12 amino acids, each with some calculated molecular properties.
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## Dataset Details
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- **Funded by:** The Francis Crick Institute
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- **License:** MIT
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### Dataset Sources
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<!-- Provide the basic links for the dataset. -->
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- **Repository:** https://huggingface.co/datasets/scbirlab/cyc-pep-6-12mer-70M-2024
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<!-- - **Paper [optional]:** [More Information Needed]
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- **Demo [optional]:** [More Information Needed] -->
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- **peptide_sequence**: Amino acid sequence of linear peptide
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- **SMILES**: SMILES string of linear peptide
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- **cyclic_id**: Identifier for cyclic peptide
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- **cyclic_inchikey**: Unique identifier for cyclic peptide
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- **cysteine_to_N_cyclization**: SMILES string of cyclic peptide
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- **cyclic_scaffold**: Murcko scaffold of cyclic peptide
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- **cyclic_mwt**: Molecular weight of cyclic peptide
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- **cyclic_clogp**: Crippen LogP of cyclic peptide
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- **cyclic_tpsa**: Topological polar surface area of cyclic peptide
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## Dataset Creation
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