PepLink Gradio Space

Peptide → SMILES is not the hard part anymore. PepLink goes further, it supports:

  • non-canonical amino acids
  • terminal modifications
  • diverse cyclic peptide structures
  • reverse-parses cyclic peptide SMILES back into amino acid sequences

Built for real peptide workflows, not just toy examples.

  1. Start with the default AA Seq -> SMILES example, which includes both one unusual_amino_acid and one intrachain_bond.
  2. Use X or x placeholders in the sequence wherever a non-canonical residue appears, and make sure the positions match unusual_amino_acids.
  3. Use the Noncanonical Registry tab to add custom residue mappings for your own session. These mappings are stored in session-level aa_overrides, so different users do not affect each other.
  4. Use SMILES/SELFIES -> AA Seq for reverse parsing of supported molecules, or DBAASP Record if you already have a DBAASP-style JSON payload.

Refer to the PepLink README for more detailed usage instructions.

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