refua-mcp

# Refua MCP Server MCP server exposing strict, typed Refua tools for Boltz2 folding/affinity and BoltzGen design workflows. Protocol target: MCP spec revision `2025-11-25`. ## Install ```bash pip install refua[cuda] # remove [cuda] if you don't need gpu support pip install refua-mcp ``` ADMET predictions are optional; install `refua[admet]` to enable them: ```bash pip install refua[admet] ``` Clinical trial simulation is optional; install the clinical extra: ```bash pip install "refua-mcp[clinical]" ``` Data catalog/query/source-validation tools are optional; install the data extra: ```bash pip install "refua-mcp[data]" ``` Preclinical planning/scheduling/bioanalysis/CMC tools are optional; install the preclinical extra: ```bash pip install "refua-mcp[preclinical]" ``` WetLab, benchmark, regulatory, and deployment tools are optional: ```bash pip install "refua-mcp[wetlab,bench,regulatory,deploy]" ``` Install the full project tool surface with: ```bash pip install "refua-mcp[ecosystem]" ``` OpenTelemetry spans/metrics are optional: ```bash pip install "refua-mcp[observability]" ``` Boltz2 and BoltzGen require model/molecule assets. If you don't have them, refua can download them for you automatically: ```bash python -c "from refua import download_assets; download_assets()" ``` - Boltz2: uses `~/.boltz` by default. Override via tool `boltz.cache_dir` if needed. - BoltzGen: uses the bundled HF artifact by default. Override via tool `boltzgen.mol_dir` if needed. ## MCP Clients ### Claude Code Add the server to your Claude Code MCP config (macOS: `~/Library/Application Support/Claude/claude_code_config.json`, Linux: `~/.config/claude/claude_code_config.json`). This uses the default assets (`~/.boltz` for Boltz2 and the bundled BoltzGen artifact). Merge with any existing `mcpServers` entries: ```json { "mcpServers": { "refua-mcp": { "command": "python3", "args": ["-m", "refua_mcp.server"] } } } ``` ### Codex Register the…