Drug discovery workflows that run in your browser

Run docking, cofolding and activity prediction on cloud GPUs with nothing to install.

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TSAP (AI-QSAR)

Recommended

Predict activity from docking interactions and see what drives it.

From 270 credits

TSAP (Boltz-2)

Recommended

Predict compound activity with a model tuned for one target.

From 219 credits

AI Cofolding

Predict complexes of proteins, ligands, DNA and RNA with Boltz-2.

From 138 credits

Molecular Docking (Virtual Screening)

Dock a compound library against your target and narrow it down by score and properties.

1 credit / compound

Compound Alignment

Lay analogs that share a core onto the reference ligand's pose and compare their scores by side group.

1 credit / compound

Compound Generation

Keep a reference compound's scaffold and let a generative model build new side groups.

From 10 credits

Compound Combination

Join the side groups of two series that share a core into every new pairing.

10 credits per job

Compound Design

Draw a compound, overlay it on the reference ligand and get its scores in seconds.

1 credit / compound

AI assistant

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Example results

Target models

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  • CBLBImmuno-oncology · TSAP(Boltz-2) · TSAP(AI-QSAR)Validation r 0.857
  • MAP4K1Immuno-oncology · TSAP(Boltz-2) · TSAP(AI-QSAR)Validation r 0.882
  • EGFROncology · TSAP(Boltz-2) · TSAP(AI-QSAR)Validation r 0.899
  • GLP1RMetabolic · TSAP(Boltz-2) · TSAP(AI-QSAR)Validation r 0.884