Discovery Workspace
Discoveries
Every pipeline run executed on this instance, newest first.
Discovery Runs
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Start by defining a protein target. You can upload a PDB or mmCIF file, fetch a structure by PDB ID, or use the bundled demo target.
add New Discovery| Run | Target | Source | Status | Candidates | Created |
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WHAT THIS APPLICATION IS
An integration and orchestration MVP. Target intake, PDB validation, job creation, pipeline execution, molecule persistence, SA scoring and SDF export are real. Chemical-space screening, ADMET, binding affinity and unbinding kinetics are deterministic demo adapters standing in for partner engines, and are labelled as such everywhere they appear.