Molecular screening API for drug discovery teams. EF@1% up to 66×. Bring your own compounds or use our library. No cluster required.
Public DUD-E benchmark, ligand-based VS protocol, leave-three-out consensus query, hybrid blend.
Pure docking burns budget on every triage cycle. CellsWave compresses the same triage to a single API call.
For each indication we queried the actual drug-bound co-crystal PDB with the drug's own SMILES as the reference. Self-rank in the top-5 is the production gate.
Shape search, structural search, and the hybrid blend measured side-by-side. Hybrid wins on thrb / try1 / bace1; ties on reni.
From PDB ID to ranked candidates in under four seconds end-to-end. Pre-computed library, GPU-accelerated search, real-time blend.
POST a PDB ID and a reference SMILES of any known active to
/v1/dock.
Pocket and reference SMILES converted into proprietary high-dimensional representations on GPU.
Hybrid score blends shape similarity (pocket-fit) with structural similarity (vs reference) across millions of compounds in a single GPU pass.
Top-K hits returned with ChEMBL ID, SMILES, and per-channel z-scores. Streams back as JSON.
All plans include the full compound library, hybrid scoring, and protease-class quality gates. Choose the cadence.
Single-target, single-team pilot. 30-day delivery. Start here.
Most teams land here. 1K queries/month, all targets, full API.
Production scale. Unlimited queries. Dedicated GPU + SLA.
University labs · royalty on downstream IP only.
Pilot teams are onboarded weekly. Reply within 24h.
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