@ligandal/mcp

Model Context Protocol (MCP) server for LigandAI. It gives Claude, Cursor, and any other MCP-capable client direct tools to design peptides, fold structures, score with DeltaForge, search receptors, triage targets, and track jobs on the LIGANDAI platform.

Requirements

• Node.js ≥ 18
• A LigandAI API key — get one at https://ligandai.com/docs/authentication

Tools

| Tool | What it does | |------|--------------| | ligandai_account_balance | Credit balance, tier, and usage summary | | ligandai_gene_expression | Tissue/cell expression profile for a gene | | ligandai_search_receptors | Search the receptor/complex catalogue | | ligandai_receptor_by_gene | List receptor complexes for a gene | | ligandai_generate_peptides | Generate peptide binders against a target (returns a job id; wait=true to block) | | ligandai_fold | Fold peptide/protein sequences (returns a job id; wait=true to block) | | ligandai_score_fold | Score a completed fold with DeltaForge | | ligandai_job_status | Status/results of a generation/folding/scoring job | | ligandai_list_jobs | List recent jobs | | ligandai_search_peptides | Search stored peptides for the account |

Claude Desktop

Add to claude_desktop_config.json (macOS: ~/Library/Application Support/Claude/claude_desktop_config.json, Windows: %APPDATA%\Claude\claude_desktop_config.json):

{
  "mcpServers": {
    "ligandai": {
      "command": "npx",
      "args": ["-y", "@ligandal/mcp"],
      "env": { "LIGANDAI_API_KEY": "lgai_pro_your_key_here" }
    }
  }
}

Restart Claude Desktop; the LigandAI tools appear in the tools menu.

Claude Code

claude mcp add ligandai --env LIGANDAI_API_KEY=lgai_pro_your_key_here -- npx -y @ligandal/mcp

Or add it to .mcp.json at your project root:

{
  "mcpServers": {
    "ligandai": {
      "command": "npx",
      "args": ["-y", "@ligandal/mcp"],
      "env": { "LIGANDAI_API_KEY": "lgai_pro_your_key_here" }
    }
  }
}

Cursor / other MCP clients

Any client that speaks MCP over stdio can launch npx -y @ligandal/mcp with LIGANDAI_API_KEY in the environment. To point at a non-production host, also set LIGANDAI_BASE_URL.

Local development

npm install        # installs @ligandal/sdk from ../ via file:
npm run build      # tsup → dist/index.js (bin: ligandai-mcp)
LIGANDAI_API_KEY=... node dist/index.js   # starts the stdio server

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