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MCP servers tagged molecular-docking

2 live MCP servers tagged "molecular-docking", ranked by trust score. Tags come from package metadata and repository topics, so this list covers servers across every category that work with molecular-docking.

2
live servers
34
avg trust
1

Novomcp

The open computational chemistry engine for drug discovery and materials science; MCP + REST + Workbench + Next.js dashboard, wrapping RDKit, GROMACS, AutoDock, OpenFold, Chai, Bo…

34
2

Chilecule

Agentic drug discovery workflows on fully open-source tooling: RDKit, AutoDock Vina/smina, fpocket, ChEMBL. MCP tool servers + Claude agents, with a retrospective validation harne…

34
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