Datasets:
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README.md
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This dataset contains hallucinated cyclic peptide scaffold structures (in CIF format) generated using AfCycDesign, a deep learning approach built on AlphaFold2 for de novo design of cyclic peptides. The scaffolds span peptide lengths of 7–16 residues and were generated through a hallucination procedure that simultaneously samples sequence and structure to produce well-ordered cyclic peptides. Structures in this dataset were filtered for high prediction confidence (pLDDT > 0.9) by AfCycDesign, representing 24,104 structurally diverse peptides predicted to fold into their designed conformations. These scaffolds serve as starting points for incorporating functional elements such as target-binding motifs for therapeutic applications.
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- **Curated by:** Akshaya Narayanasamy, Jie Chen,
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- **Language(s) (NLP):** Not applicable (structural biology data)
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- **License:** MIT
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This dataset contains hallucinated cyclic peptide scaffold structures (in CIF format) generated using AfCycDesign, a deep learning approach built on AlphaFold2 for de novo design of cyclic peptides. The scaffolds span peptide lengths of 7–16 residues and were generated through a hallucination procedure that simultaneously samples sequence and structure to produce well-ordered cyclic peptides. Structures in this dataset were filtered for high prediction confidence (pLDDT > 0.9) by AfCycDesign, representing 24,104 structurally diverse peptides predicted to fold into their designed conformations. These scaffolds serve as starting points for incorporating functional elements such as target-binding motifs for therapeutic applications.
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- **Curated by:** Akshaya Narayanasamy, Jie Chen, Zachary Drake, Adriana Hernandez Gonzalez, Lina Maria Pena
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- **Language(s) (NLP):** Not applicable (structural biology data)
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- **License:** MIT
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