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Xenoclea · The AI orchestrator of EPiQ™

Rank your ligands.Choose what to test.

Bring candidates and a target, or ask for new designs, and one ranked list comes back with structures.

Your next shortlist

Ranking, structures, data

Open the workspace

Built into EPiQ

One conversation, from sentence to shortlist.

Xenoclea is the conversational AI orchestrator inside EPiQ — the entry point for scientists who want Epitorix's models without touching infrastructure. Describe the target; Xenoclea plans the work, ranks small molecules, peptides, macrocycles, antibodies and nanobodies by predicted binding affinity, and returns every design with its predicted 3D structure and the data behind it.

Epitorix AI
  1. Epitorix AI: Welcome to Epitorix! 👋 How can I assist with your radiopharmaceutical design today?02:47 PM
Xenoclea · recorded demo · epitorix.com

Ligand ranking

Any ligand in.
One ranked list out.

Give Xenoclea 100 generated ligands — from any generative model, or from your own library — and in internal benchmarks it recovers more than 80% of your true top ligands.

Every class · Small molecules · Peptides · Non-canonical peptides · Macrocycles · Antibodies · Nanobodies · Mini-proteins · DNA/RNA ligands
  • Kd at scale

    Pearson R 0.84 (peptides) and 0.70 (small molecules) for predicted vs measured pKd in internal benchmarks, at about 1,000 molecules per second.

  • Research use

    Epitorix is a research and development platform. Its predictions are not intended for patient-level or clinical decision-making.

  • Internal benchmarks; a preprint describing the evaluation is forthcoming.

HER2 extracellular domain with trastuzumab Fab · PDB 1N8Z · rendered from deposited coordinates

How it works

What you type, and what comes back.

Describe your target in plain language; the designs, their structures and their data come back together.

  • Say what you need to bind.

    Plain language is the whole interface. Nothing to configure, nothing to install.

  • Structures and data included.

    Every design arrives with its predicted 3D structure and the data behind it.

  • Yours alone.

    Your targets and your results stay private to your account.

  • Ranked, not just generated.

    Bring your own library or ask for new designs; either way, one ranked list.

Bring us a target.

The first shortlist takes one sentence.

A urea-based inhibitor in the active site of PSMA, its urea oxygen on the catalytic zinc, ringed by twenty-three other ligands from deposited PSMA complexes; the pocket is shown cut open and the darker field is the cut protein interior · PDB 4NGM