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WorkflowsReady-made pipelines, grouped by the problem they solve.AssistantDescribe your problem; approve the plan before anything runs.ToolsEvery model and method on its own, for expert users.API & SDKsREST API with scoped keys, a Python SDK, and an MCP server for AI clients.

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Virtual screeningFind the compounds in a library most likely to bind your target, then rescore the best hits with a stronger method.Structure prediction to dockingDock against a protein with no solved structure: predict it from sequence, find its pockets, then dock.Library designGenerate or enumerate new compounds for a target or an SAR series, then dock them.Predictive modelingPull measured activities for your targets, curate them into a clean dataset, train a model that predicts activity, and score your own compounds with it.All solutionsEvery problem family and its workflows.

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Virtual screening
Structure prediction to docking
Library design
Predictive modeling

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Docs
Tutorials
Blog

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